smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc(Cl)cn1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000585091546 771942925 /nfs/dbraw/zinc/94/29/25/771942925.db2.gz FEEOUDJQPGEIGJ-VIFPVBQESA-N -1 0 310.770 1.178 50 0 DDAARM CCN(CC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000089961001 185271966 /nfs/dbraw/zinc/27/19/66/185271966.db2.gz URQUNUNNLNCTIG-AWEZNQCLSA-N -1 0 318.373 1.472 50 0 DDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1nnc(C)s1 ZINC000095452250 185369302 /nfs/dbraw/zinc/36/93/02/185369302.db2.gz FFNMXZVRQDJAAN-UHFFFAOYSA-N -1 0 315.424 1.506 50 0 DDAARM Cn1nccc1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000097018141 185397752 /nfs/dbraw/zinc/39/77/52/185397752.db2.gz VUVACDCPTNQDBJ-UHFFFAOYSA-N -1 0 323.299 1.815 50 0 DDAARM CN(CCC(=O)[O-])C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000299752028 529872739 /nfs/dbraw/zinc/87/27/39/529872739.db2.gz SKNRWENANCZPID-UHFFFAOYSA-N -1 0 304.346 1.437 50 0 DDAARM CN(CCC(=O)[O-])C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000299753056 529872755 /nfs/dbraw/zinc/87/27/55/529872755.db2.gz WRFLSABVUKQWPQ-UHFFFAOYSA-N -1 0 307.346 1.714 50 0 DDAARM Cc1nonc1[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000097162354 185417908 /nfs/dbraw/zinc/41/79/08/185417908.db2.gz SGIQTNKHAGVDME-UHFFFAOYSA-N -1 0 305.319 1.365 50 0 DDAARM O=C([O-])c1n[nH]cc1CN1CCCN(C(=O)c2ccco2)CC1 ZINC000071750249 191022746 /nfs/dbraw/zinc/02/27/46/191022746.db2.gz LJUKZQXJCLNNRF-UHFFFAOYSA-N -1 0 318.333 1.049 50 0 DDAARM Cc1ccc(-c2ccnc(N3CCO[C@H](C(=O)[O-])C3)n2)c(C)n1 ZINC000072439622 191166924 /nfs/dbraw/zinc/16/69/24/191166924.db2.gz PBNVOFNAUKMTGE-AWEZNQCLSA-N -1 0 314.345 1.445 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000004206809 181085620 /nfs/dbraw/zinc/08/56/20/181085620.db2.gz MPMKKDOZHAINKD-UHFFFAOYSA-N -1 0 305.302 1.450 50 0 DDAARM COc1ccc(C)cc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000004317422 181097264 /nfs/dbraw/zinc/09/72/64/181097264.db2.gz KKGZKXLURLYTLI-UHFFFAOYSA-N -1 0 306.347 1.625 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccncc1 ZINC000004411670 181107498 /nfs/dbraw/zinc/10/74/98/181107498.db2.gz KGWVCBQBGMNFDH-UHFFFAOYSA-N -1 0 305.359 1.383 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCOc3cc(F)ccc32)cn1 ZINC000237981941 354349044 /nfs/dbraw/zinc/34/90/44/354349044.db2.gz LZTDVPOZSQJKBE-UHFFFAOYSA-N -1 0 302.261 1.958 50 0 DDAARM COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000004719354 181141588 /nfs/dbraw/zinc/14/15/88/181141588.db2.gz QQKFAQINLULDHL-UHFFFAOYSA-N -1 0 321.354 1.975 50 0 DDAARM O=C(c1ccc(Cl)cc1F)N1CCOC[C@H]1c1nnn[n-]1 ZINC000585134173 354811347 /nfs/dbraw/zinc/81/13/47/354811347.db2.gz GPHCNZXVOWZPMB-JTQLQIEISA-N -1 0 311.704 1.206 50 0 DDAARM CCc1nc(=NCc2nc3cc(C(=O)OC)ccc3[nH]2)s[n-]1 ZINC000585142085 354815551 /nfs/dbraw/zinc/81/55/51/354815551.db2.gz OLWGCFSVJDZZQQ-UHFFFAOYSA-N -1 0 317.374 1.797 50 0 DDAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccncc2)cc1 ZINC000004869506 181166388 /nfs/dbraw/zinc/16/63/88/181166388.db2.gz HFXAUMBRBRIKGG-UHFFFAOYSA-N -1 0 301.327 1.907 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000237030193 202129562 /nfs/dbraw/zinc/12/95/62/202129562.db2.gz NBYSADRHDJGSEQ-UHFFFAOYSA-N -1 0 318.373 1.746 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC000237659236 202320187 /nfs/dbraw/zinc/32/01/87/202320187.db2.gz OGJSQIUBHOTWNY-OAHLLOKOSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1cccc2[nH]c(CCC(=O)N3CCC[C@@H]3C(=O)[O-])nc21 ZINC000237734781 202342508 /nfs/dbraw/zinc/34/25/08/202342508.db2.gz VSQPZDGUBNHJQA-GFCCVEGCSA-N -1 0 301.346 1.880 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccn2)C1 ZINC000091518940 193067894 /nfs/dbraw/zinc/06/78/94/193067894.db2.gz MFQAABAAJAMBQO-KRWDZBQOSA-N -1 0 320.389 1.744 50 0 DDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(N(C)C)nc2C)C1 ZINC000091593279 193076409 /nfs/dbraw/zinc/07/64/09/193076409.db2.gz BDWMVKXMNYTZSY-INIZCTEOSA-N -1 0 320.393 1.568 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CSc3ccccc32)CCO1 ZINC000092238029 193178008 /nfs/dbraw/zinc/17/80/08/193178008.db2.gz YEJWEUMPRNWQRT-CMPLNLGQSA-N -1 0 307.371 1.578 50 0 DDAARM C[C@@H](NC(=O)c1cc2c(c(Br)c1)OCO2)C(=O)[O-] ZINC000262722484 203392734 /nfs/dbraw/zinc/39/27/34/203392734.db2.gz WJFWHMZUPFJMPI-RXMQYKEDSA-N -1 0 316.107 1.381 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000263395716 203463339 /nfs/dbraw/zinc/46/33/39/203463339.db2.gz FKKWAZCJJJLQAE-CYBMUJFWSA-N -1 0 314.345 1.411 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000095949212 304177940 /nfs/dbraw/zinc/17/79/40/304177940.db2.gz HKTMFIAIBGXSON-QWHCGFSZSA-N -1 0 308.378 1.101 50 0 DDAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088374419 296209074 /nfs/dbraw/zinc/20/90/74/296209074.db2.gz TVFKNIIFKPNCKI-BXKDBHETSA-N -1 0 313.737 1.419 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000269126097 304186758 /nfs/dbraw/zinc/18/67/58/304186758.db2.gz XYZNLGYXFTVEJN-LSDHHAIUSA-N -1 0 319.357 1.934 50 0 DDAARM CC(C)Oc1cccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)c1 ZINC000101675471 193834844 /nfs/dbraw/zinc/83/48/44/193834844.db2.gz WHXKKBWUEIDWQO-GFCCVEGCSA-N -1 0 301.306 1.444 50 0 DDAARM COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c(C)c1C ZINC000038534550 183001823 /nfs/dbraw/zinc/00/18/23/183001823.db2.gz AVYANKXIERHYKJ-ZDUSSCGKSA-N -1 0 306.362 1.087 50 0 DDAARM CCSc1ncc(Cl)c(C(=O)NCCCC(=O)[O-])n1 ZINC000041097692 183165281 /nfs/dbraw/zinc/16/52/81/183165281.db2.gz WMXUDWVLWOFPGI-UHFFFAOYSA-N -1 0 303.771 1.837 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC000237045553 284860365 /nfs/dbraw/zinc/86/03/65/284860365.db2.gz OHADBPAWDTZNRT-AWEZNQCLSA-N -1 0 318.373 1.671 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000268951272 207114200 /nfs/dbraw/zinc/11/42/00/207114200.db2.gz QNJDTLPQIDADOR-KGLIPLIRSA-N -1 0 317.320 1.391 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000268995109 207150772 /nfs/dbraw/zinc/15/07/72/207150772.db2.gz VNMKHVXDPAIZQE-IUODEOHRSA-N -1 0 303.358 1.494 50 0 DDAARM C[C@@H](CCOc1ccccc1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268995085 207151592 /nfs/dbraw/zinc/15/15/92/207151592.db2.gz VIUUYEPKMVSXKL-JSGCOSHPSA-N -1 0 307.346 1.404 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000269049759 207198473 /nfs/dbraw/zinc/19/84/73/207198473.db2.gz VCGLKPJCUFMJOG-DZGCQCFKSA-N -1 0 319.357 1.393 50 0 DDAARM O=C(NCc1ccccc1)c1cccc(-n2[n-]c(=O)ccc2=O)c1 ZINC000061341622 184168672 /nfs/dbraw/zinc/16/86/72/184168672.db2.gz DKSPWQVYAZKZHH-UHFFFAOYSA-N -1 0 321.336 1.868 50 0 DDAARM COc1cc(CCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc(OC)c1 ZINC000269132711 207263931 /nfs/dbraw/zinc/26/39/31/207263931.db2.gz BWBCIYZKSDDTNT-GFCCVEGCSA-N -1 0 307.346 1.570 50 0 DDAARM C[C@@H]1CO[C@H](CO)CN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000154119370 196939920 /nfs/dbraw/zinc/93/99/20/196939920.db2.gz UTJHFWWWOKXLDB-SCZZXKLOSA-N -1 0 308.359 1.338 50 0 DDAARM C[C@@H]1CN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CCCO1 ZINC000077385990 297084525 /nfs/dbraw/zinc/08/45/25/297084525.db2.gz YKPSTDTZXLXRCM-LLVKDONJSA-N -1 0 314.345 1.852 50 0 DDAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)C(=O)[O-])ccc12 ZINC000000139296 406622079 /nfs/dbraw/zinc/62/20/79/406622079.db2.gz BKTYCTUBDJNJLN-SECBINFHSA-N -1 0 305.286 1.070 50 0 biogenic DDAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 ZINC000000467368 406651234 /nfs/dbraw/zinc/65/12/34/406651234.db2.gz PMDZJAXLDDLOSC-UHFFFAOYSA-N -1 0 320.345 1.352 50 0 DDAARM COCCN1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000002876290 406704911 /nfs/dbraw/zinc/70/49/11/406704911.db2.gz MZSAUQGHCKUWFF-NSHDSACASA-N -1 0 309.343 1.251 50 0 DDAARM COc1ccc(-c2nnc(NC(=O)/C=C/C(=O)[O-])s2)cc1 ZINC000002783171 406701616 /nfs/dbraw/zinc/70/16/16/406701616.db2.gz CAHHTAPZWMEGIC-VOTSOKGWSA-N -1 0 305.315 1.793 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000323401 406639143 /nfs/dbraw/zinc/63/91/43/406639143.db2.gz HHAAIAYQIHCDFL-RYUDHWBXSA-N -1 0 303.314 1.699 50 0 DDAARM Cc1cc(C)c(C)c(OC[C@H](O)CN(C)S(=O)(=O)[O-])c1 ZINC000003156759 406713653 /nfs/dbraw/zinc/71/36/53/406713653.db2.gz DSKCVNSKFXXSTQ-GFCCVEGCSA-N -1 0 303.380 1.086 50 0 DDAARM CC(C)=CCC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000004028932 406718746 /nfs/dbraw/zinc/71/87/46/406718746.db2.gz AYRGGDSIYYYSRA-CVXDVXMKSA-N -1 0 305.374 1.988 50 0 biogenic DDAARM COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000010302716 406821352 /nfs/dbraw/zinc/82/13/52/406821352.db2.gz UJEDNMXEZPTVEM-UHFFFAOYSA-N -1 0 317.338 1.320 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000071285429 406836437 /nfs/dbraw/zinc/83/64/37/406836437.db2.gz JRCJVBNVDJJRAY-CHWSQXEVSA-N -1 0 316.357 1.874 50 0 DDAARM Cn1nnc(-c2ccccc2NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071285074 406836441 /nfs/dbraw/zinc/83/64/41/406836441.db2.gz DTXISFHMFABOBH-QWRGUYRKSA-N -1 0 315.333 1.172 50 0 DDAARM CCn1cc(CN(C)C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C)n1 ZINC000020606864 406887175 /nfs/dbraw/zinc/88/71/75/406887175.db2.gz VVHOCQWQVCFXRI-ZIAGYGMSSA-N -1 0 305.378 1.837 50 0 DDAARM O=S(=O)([N-]c1nc2ncccn2n1)c1ccccc1Cl ZINC000073840497 406896563 /nfs/dbraw/zinc/89/65/63/406896563.db2.gz NFJQUTZGUBDXEQ-UHFFFAOYSA-N -1 0 309.738 1.579 50 0 DDAARM COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)[O-])nn1C ZINC000035655125 406974484 /nfs/dbraw/zinc/97/44/84/406974484.db2.gz ITFISPQAVCUSID-UHFFFAOYSA-N -1 0 303.274 1.157 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000036623940 406981564 /nfs/dbraw/zinc/98/15/64/406981564.db2.gz YXBZNKKSXVLCOU-OLZOCXBDSA-N -1 0 307.394 1.886 50 0 DDAARM CCC[C@@](C)(NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000036340070 406979663 /nfs/dbraw/zinc/97/96/63/406979663.db2.gz NRZCATHOCUNSOG-CQSZACIVSA-N -1 0 313.375 1.543 50 0 DDAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccccc1 ZINC000047328535 407072642 /nfs/dbraw/zinc/07/26/42/407072642.db2.gz BVYFLQLXEJGDKZ-UHFFFAOYSA-N -1 0 301.331 1.463 50 0 DDAARM CC[C@H](C(=O)Nc1c(C)nn(CC(=O)[O-])c1C)n1cccn1 ZINC000055369378 407201683 /nfs/dbraw/zinc/20/16/83/407201683.db2.gz NQLFODZBPCZWCB-LLVKDONJSA-N -1 0 305.338 1.371 50 0 DDAARM O=C([O-])[C@H](CO)n1cc(-c2cnc(C3CCCCC3)nc2)nn1 ZINC000095368867 407209776 /nfs/dbraw/zinc/20/97/76/407209776.db2.gz INWAJMLTKYCLDH-ZDUSSCGKSA-N -1 0 317.349 1.401 50 0 DDAARM Cn1nccc1/C=C\c1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC000096157990 407241836 /nfs/dbraw/zinc/24/18/36/407241836.db2.gz VTWVGLPRCUQDSM-SREVYHEPSA-N -1 0 324.340 1.775 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2ccc3nncn3c2)cc1F ZINC000067172411 407269063 /nfs/dbraw/zinc/26/90/63/407269063.db2.gz BBIQOQGHZGDLCU-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM O=C(NCCn1[n-]c(=O)ccc1=O)c1cc2ccccc2s1 ZINC000067867767 407288058 /nfs/dbraw/zinc/28/80/58/407288058.db2.gz KWEPFMZZOBZYNM-UHFFFAOYSA-N -1 0 315.354 1.594 50 0 DDAARM COCc1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649791 407462837 /nfs/dbraw/zinc/46/28/37/407462837.db2.gz TUYKCOGJNPXSBC-UHFFFAOYSA-N -1 0 310.331 1.081 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cn1 ZINC000224286442 407575312 /nfs/dbraw/zinc/57/53/12/407575312.db2.gz BGURMFSTNCGZAD-UHFFFAOYSA-N -1 0 301.274 1.564 50 0 DDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 ZINC000261846102 407636939 /nfs/dbraw/zinc/63/69/39/407636939.db2.gz DAQNEFSTTSZCSE-ZDUSSCGKSA-N -1 0 310.394 1.492 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CCO1 ZINC000261920562 407671237 /nfs/dbraw/zinc/67/12/37/407671237.db2.gz HVZRQKIFQUDKAK-CYBMUJFWSA-N -1 0 323.732 1.428 50 0 DDAARM O=C([O-])CCCN1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000116391178 407751568 /nfs/dbraw/zinc/75/15/68/407751568.db2.gz SIFKLWIYGDGOSH-UHFFFAOYSA-N -1 0 312.316 1.587 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c(F)c1 ZINC000241923291 407912344 /nfs/dbraw/zinc/91/23/44/407912344.db2.gz UESUEZNZPTXUMD-UHFFFAOYSA-N -1 0 324.333 1.734 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CCO1 ZINC000238050568 407877295 /nfs/dbraw/zinc/87/72/95/407877295.db2.gz DUWJDVPYJNZIPY-AWEZNQCLSA-N -1 0 321.348 1.950 50 0 DDAARM O=C([O-])CN(C(=O)c1cc(-c2ccco2)on1)C1CCOCC1 ZINC000238112063 407889725 /nfs/dbraw/zinc/88/97/25/407889725.db2.gz MDAHMVQWJMIECW-UHFFFAOYSA-N -1 0 320.301 1.640 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cccc(C)n2)(C(=O)[O-])C1(C)C ZINC000262762351 407919395 /nfs/dbraw/zinc/91/93/95/407919395.db2.gz FWTJBCANRUOJGB-LRDDRELGSA-N -1 0 306.362 1.778 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(OC(C)C)nc2)C1 ZINC000263084928 408021312 /nfs/dbraw/zinc/02/13/12/408021312.db2.gz ZMXSFYOGSCXMAT-MRXNPFEDSA-N -1 0 322.361 1.432 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2cccc3ccoc32)C[C@H]1C(=O)[O-] ZINC000263098703 408023016 /nfs/dbraw/zinc/02/30/16/408023016.db2.gz JRFKMUNDZBRNEF-MWLCHTKSSA-N -1 0 309.343 1.774 50 0 DDAARM O=C([O-])[C@H](NC(=O)c1cccc2c1CCC2)[C@@H]1CCCOC1 ZINC000263252980 408075922 /nfs/dbraw/zinc/07/59/22/408075922.db2.gz HTIIWAUQQPYOMQ-IUODEOHRSA-N -1 0 303.358 1.785 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136167439 408082012 /nfs/dbraw/zinc/08/20/12/408082012.db2.gz PBAPDLQEMXAVBC-LBPRGKRZSA-N -1 0 314.345 1.513 50 0 DDAARM Cc1cnc([C@H](C)CNC(=O)c2cnc(C(=O)[O-])cn2)s1 ZINC000263436151 163966999 /nfs/dbraw/zinc/96/69/99/163966999.db2.gz OOONGFMTKDVWRV-SSDOTTSWSA-N -1 0 306.347 1.473 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)CCO1 ZINC000263519182 163979135 /nfs/dbraw/zinc/97/91/35/163979135.db2.gz GILJNSAJIRDMKZ-OAHLLOKOSA-N -1 0 301.342 1.962 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCCc1nc(C2CC2)no1 ZINC000136478147 196537853 /nfs/dbraw/zinc/53/78/53/196537853.db2.gz XXGBLWQRGVDEJR-LLVKDONJSA-N -1 0 307.350 1.735 50 0 DDAARM Cc1csc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 ZINC000069417109 418488343 /nfs/dbraw/zinc/48/83/43/418488343.db2.gz DCTBSSCLQAMJDV-UHFFFAOYSA-N -1 0 322.367 2.359 50 0 DDAARM O=C(Cc1ccccc1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990592 418495455 /nfs/dbraw/zinc/49/54/55/418495455.db2.gz NLNMUPGETZFHDF-UHFFFAOYSA-N -1 0 308.341 1.150 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000408513350 418806446 /nfs/dbraw/zinc/80/64/46/418806446.db2.gz WUNLMWZCKNYRJY-CYBMUJFWSA-N -1 0 313.313 1.069 50 0 DDAARM Cc1nnc(CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)s1 ZINC000426491548 419487743 /nfs/dbraw/zinc/48/77/43/419487743.db2.gz PNAZQEUJFMGHHP-NSHDSACASA-N -1 0 321.406 1.507 50 0 DDAARM COc1ccc2cc(C(=O)N3CC=C[C@@H]3C(=O)[O-])n(C)c2c1 ZINC000426383194 419453882 /nfs/dbraw/zinc/45/38/82/419453882.db2.gz YZCUUZATNUKZCT-GFCCVEGCSA-N -1 0 300.314 1.652 50 0 DDAARM O=C([O-])Cn1ccc([C@@H]2CCCN(Cc3nccs3)C2)n1 ZINC000426662330 419528951 /nfs/dbraw/zinc/52/89/51/419528951.db2.gz SYVRNRHWYRVFKH-LLVKDONJSA-N -1 0 306.391 1.804 50 0 DDAARM CCn1ccnc1CN(C)C(=O)N[C@@H](CC(=O)[O-])CC(C)C ZINC000426705670 419534546 /nfs/dbraw/zinc/53/45/46/419534546.db2.gz JJVIVFWSIODHKC-GFCCVEGCSA-N -1 0 310.398 1.934 50 0 DDAARM CN(C[C@@H]1CCN(c2ccccc2)C1)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426589684 419513370 /nfs/dbraw/zinc/51/33/70/419513370.db2.gz ADVZDKQGCUUQDE-LBPRGKRZSA-N -1 0 315.377 1.038 50 0 DDAARM Cc1c(C(=O)N[C@H](C(=O)[O-])C(C)C)cccc1N1CCNC1=O ZINC000299741989 229379407 /nfs/dbraw/zinc/37/94/07/229379407.db2.gz AONLHBOAIKPZAV-ZDUSSCGKSA-N -1 0 319.361 1.364 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000492611710 420606096 /nfs/dbraw/zinc/60/60/96/420606096.db2.gz JHNASBWXEFANPR-DEBLGDTFSA-N -1 0 316.357 1.383 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000492178468 421209800 /nfs/dbraw/zinc/20/98/00/421209800.db2.gz DMSXUEAODVMMOI-AFCDSYGPSA-N -1 0 316.357 1.383 50 0 DDAARM CC1CCN(C(=O)C2=N[N-]c3ccccc3S2(=O)=O)CC1 ZINC000049402789 276193589 /nfs/dbraw/zinc/19/35/89/276193589.db2.gz WABFZYSLQYIZSZ-UHFFFAOYSA-N -1 0 307.375 1.458 50 0 DDAARM O=C([O-])c1cccc(C(=O)NCC(=O)NC2CCCCC2)c1 ZINC000238126377 281889714 /nfs/dbraw/zinc/88/97/14/281889714.db2.gz BIJYGEWRWHZOHQ-UHFFFAOYSA-N -1 0 304.346 1.564 50 0 DDAARM Cc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088376658 301292031 /nfs/dbraw/zinc/29/20/31/301292031.db2.gz VBQBAMQBOXNBCY-JTQLQIEISA-N -1 0 319.766 1.123 50 0 DDAARM Cn1nnc(-c2ccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)cc2)n1 ZINC000071285027 303104711 /nfs/dbraw/zinc/10/47/11/303104711.db2.gz NDOMSNUSYAYMSP-GHMZBOCLSA-N -1 0 315.333 1.172 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2cc3ccccc3o2)CCO1 ZINC000328594917 534524631 /nfs/dbraw/zinc/52/46/31/534524631.db2.gz FYGXWGUUPABVDD-GJBLVYBDSA-N -1 0 301.298 1.758 50 0 DDAARM CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cs1 ZINC000299752507 528009408 /nfs/dbraw/zinc/00/94/08/528009408.db2.gz UIVYOVSEDUYAGD-FBIMIBRVSA-N -1 0 312.391 1.920 50 0 DDAARM CC(C)[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000299750195 528350799 /nfs/dbraw/zinc/35/07/99/528350799.db2.gz MUOYMIKVFYYZAT-NDBYEHHHSA-N -1 0 300.399 1.052 50 0 DDAARM CCN(c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1)C(C)C ZINC000299741226 528929167 /nfs/dbraw/zinc/92/91/67/528929167.db2.gz DXQXZZPBSQICGT-CYBMUJFWSA-N -1 0 305.378 1.863 50 0 DDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000390908846 545661862 /nfs/dbraw/zinc/66/18/62/545661862.db2.gz WBXPINAVJNBKRV-KGLIPLIRSA-N -1 0 322.405 1.491 50 0 DDAARM C[C@H](c1n[nH]c(=O)[n-]1)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000032581789 696124638 /nfs/dbraw/zinc/12/46/38/696124638.db2.gz LNXNQFNNYOBAAA-SSDOTTSWSA-N -1 0 317.374 1.358 50 0 DDAARM CNC(=O)[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000606441267 699217542 /nfs/dbraw/zinc/21/75/42/699217542.db2.gz MALXMPWCRLBPKH-DEBLGDTFSA-N -1 0 316.357 1.383 50 0 DDAARM CC(C)n1cc([N-]S(=O)(=O)c2n[nH]c3ncccc32)cn1 ZINC000952964831 721528627 /nfs/dbraw/zinc/52/86/27/721528627.db2.gz XHCXPEYKQMLERQ-UHFFFAOYSA-N -1 0 306.351 1.536 50 0 DDAARM Cn1nc([C@H]2CCCN(C(=O)O[C@H]3CCOC3)C2)cc1C(=O)[O-] ZINC000952994247 721534485 /nfs/dbraw/zinc/53/44/85/721534485.db2.gz YDLLLQJMSBWAJA-QWRGUYRKSA-N -1 0 323.349 1.223 50 0 DDAARM O=c1[n-]c([C@H]2CCCCN2Cc2cccc3c2OCO3)n[nH]1 ZINC000585117300 771951821 /nfs/dbraw/zinc/95/18/21/771951821.db2.gz XOSJMPHUHUQQHE-LLVKDONJSA-N -1 0 302.334 1.966 50 0 DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])o1 ZINC000316672099 231151868 /nfs/dbraw/zinc/15/18/68/231151868.db2.gz YEXJEZZYKUPLCB-BDPMGOJCSA-N -1 0 305.330 1.728 50 0 DDAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCc1ccsc1 ZINC000223404489 539265899 /nfs/dbraw/zinc/26/58/99/539265899.db2.gz JFIPNCVYCDVFGG-VXGBXAGGSA-N -1 0 313.375 1.056 50 0 DDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)COC[C@@H]1CCCO1 ZINC000299750229 529983927 /nfs/dbraw/zinc/98/39/27/529983927.db2.gz MYTZBTPIEVKHIE-AWEZNQCLSA-N -1 0 307.346 1.539 50 0 DDAARM CC(=O)c1cc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])cs1 ZINC000072165040 191065818 /nfs/dbraw/zinc/06/58/18/191065818.db2.gz LMQIWOJBSOKOGM-LLVKDONJSA-N -1 0 311.359 1.195 50 0 DDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000000166219 180712778 /nfs/dbraw/zinc/71/27/78/180712778.db2.gz RYNZZKHRKJIGHR-SNVBAGLBSA-N -1 0 323.292 1.943 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1cccnc1 ZINC000000814654 180834586 /nfs/dbraw/zinc/83/45/86/180834586.db2.gz PAFZLKRPCVIIBQ-UHFFFAOYSA-N -1 0 322.342 1.267 50 0 DDAARM CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000072233682 353194029 /nfs/dbraw/zinc/19/40/29/353194029.db2.gz ZOXNLTBPYWRGNZ-UHFFFAOYSA-N -1 0 302.308 1.370 50 0 DDAARM COc1ccc(NC(=O)CSc2nncc(=O)[n-]2)c(OC)c1 ZINC000004292241 181093498 /nfs/dbraw/zinc/09/34/98/181093498.db2.gz NVZPAZSMUXPIAX-UHFFFAOYSA-N -1 0 322.346 1.325 50 0 DDAARM O=C(Nc1cnns1)Nc1ccc(S(=O)(=O)[O-])cc1 ZINC000004476192 181112046 /nfs/dbraw/zinc/11/20/46/181112046.db2.gz HFESPRWGESBZKX-UHFFFAOYSA-N -1 0 300.321 1.429 50 0 DDAARM CC1(S(=O)(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])CC1 ZINC000585136745 354812697 /nfs/dbraw/zinc/81/26/97/354812697.db2.gz REJVDGFPAQEREM-LBPRGKRZSA-N -1 0 311.359 1.086 50 0 DDAARM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)n1cncn1 ZINC000004840485 181160657 /nfs/dbraw/zinc/16/06/57/181160657.db2.gz HUXRQIMWJZBVLE-SNVBAGLBSA-N -1 0 324.134 1.939 50 0 DDAARM CC(=O)c1ccc(N2CCN(c3nc(=O)c(C)n[n-]3)CC2)cc1 ZINC000005009340 181189817 /nfs/dbraw/zinc/18/98/17/181189817.db2.gz YOVAVCGJJGPRBP-UHFFFAOYSA-N -1 0 313.361 1.003 50 0 DDAARM CCOc1cc(C=C2SC(=O)NC2=O)ccc1OCC(=O)[O-] ZINC000005201141 181216151 /nfs/dbraw/zinc/21/61/51/181216151.db2.gz YTXUYVKJFRBYCJ-IZZDOVSWSA-N -1 0 323.326 1.873 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)nn1C ZINC000236881394 202049074 /nfs/dbraw/zinc/04/90/74/202049074.db2.gz GCUHGXJHNDXYOV-LBPRGKRZSA-N -1 0 323.393 1.639 50 0 DDAARM CCc1ccccc1N1C[C@@H](C(=O)NC2(C(=O)[O-])CC2)CC1=O ZINC000237013544 202122192 /nfs/dbraw/zinc/12/21/92/202122192.db2.gz RFZBWOPKCFGMIS-LBPRGKRZSA-N -1 0 316.357 1.335 50 0 DDAARM C[C@@H](OCC1CC1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237404432 202256983 /nfs/dbraw/zinc/25/69/83/202256983.db2.gz XVPNJHTWUFDPCA-ABAIWWIYSA-N -1 0 303.358 1.840 50 0 DDAARM NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000237718628 202337679 /nfs/dbraw/zinc/33/76/79/202337679.db2.gz HDGZOWHVJYPAFX-OQHXTRMZSA-N -1 0 302.330 1.122 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCn1ccccc1=O ZINC000237970308 202408479 /nfs/dbraw/zinc/40/84/79/202408479.db2.gz ULUHRWDPPCPJEH-IHRRRGAJSA-N -1 0 318.373 1.483 50 0 DDAARM COC(=O)CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006452798 181342104 /nfs/dbraw/zinc/34/21/04/181342104.db2.gz HLISJIZSCIJHOP-JTQLQIEISA-N -1 0 303.343 1.308 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000195192183 201356170 /nfs/dbraw/zinc/35/61/70/201356170.db2.gz SHSSVYIEKKRDHE-UHFFFAOYSA-N -1 0 302.330 1.508 50 0 DDAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000006800745 181391197 /nfs/dbraw/zinc/39/11/97/181391197.db2.gz RWERTEIFUTWPPA-UHFFFAOYSA-N -1 0 307.327 1.980 50 0 DDAARM CNc1nc(N2CCC[C@](CCOC)(C(=O)[O-])C2)ncc1F ZINC000091563415 193073921 /nfs/dbraw/zinc/07/39/21/193073921.db2.gz BGXDFQCZCARYPM-CQSZACIVSA-N -1 0 312.345 1.365 50 0 DDAARM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc(=O)[nH]1 ZINC000217353348 201515178 /nfs/dbraw/zinc/51/51/78/201515178.db2.gz BVPLYZFORAYJQV-CYBMUJFWSA-N -1 0 300.314 1.629 50 0 DDAARM O=C([O-])C1CCC(NC(=O)Cc2ccc3c(c2)CCO3)CC1 ZINC000262239653 203238404 /nfs/dbraw/zinc/23/84/04/203238404.db2.gz WBXZYIAKWHJSGP-UHFFFAOYSA-N -1 0 303.358 1.924 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000020027759 182181027 /nfs/dbraw/zinc/18/10/27/182181027.db2.gz HCTDLSSJOFVDIP-JTQLQIEISA-N -1 0 300.314 1.465 50 0 DDAARM COc1ccc([C@@H](C)NC(=O)Cn2ccc(C(=O)[O-])n2)cc1 ZINC000020320500 182206368 /nfs/dbraw/zinc/20/63/68/182206368.db2.gz UESGMKTWCSBYNZ-SNVBAGLBSA-N -1 0 303.318 1.467 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000263267585 304186734 /nfs/dbraw/zinc/18/67/34/304186734.db2.gz HOZNJDBOWJFZEI-HUUCEWRRSA-N -1 0 319.357 1.934 50 0 DDAARM O=C([O-])[C@H]1CCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000238101468 304187674 /nfs/dbraw/zinc/18/76/74/304187674.db2.gz NJRUCPAXJROXOQ-CYBMUJFWSA-N -1 0 306.753 1.970 50 0 DDAARM CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000034927248 182745205 /nfs/dbraw/zinc/74/52/05/182745205.db2.gz YHOVAULAUBWDJA-LLVKDONJSA-N -1 0 322.361 1.745 50 0 DDAARM COc1ccc(F)cc1S(=O)(=O)NCCCCCC(=O)[O-] ZINC000040545134 183099306 /nfs/dbraw/zinc/09/93/06/183099306.db2.gz IKORNXHMKIVDPX-UHFFFAOYSA-N -1 0 319.354 1.758 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 ZINC000043700862 183382099 /nfs/dbraw/zinc/38/20/99/183382099.db2.gz OKQLTCIWHLSHGF-LLVKDONJSA-N -1 0 301.701 1.334 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268922605 207088820 /nfs/dbraw/zinc/08/88/20/207088820.db2.gz TYDGBVIAFDZDDL-KGLIPLIRSA-N -1 0 313.357 1.826 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000268944283 207110777 /nfs/dbraw/zinc/11/07/77/207110777.db2.gz LSKLOYGKNWRJPO-SOUVJXGZSA-N -1 0 303.358 1.772 50 0 DDAARM COCCOc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000269023277 207173273 /nfs/dbraw/zinc/17/32/73/207173273.db2.gz JFBQOIGURIXACT-INIZCTEOSA-N -1 0 307.346 1.649 50 0 DDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc(OC(F)(F)F)cc1 ZINC000061844968 184189588 /nfs/dbraw/zinc/18/95/88/184189588.db2.gz FAFBJBKBDLCFLS-UHFFFAOYSA-N -1 0 308.241 1.504 50 0 DDAARM COCCOc1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000066057248 184385813 /nfs/dbraw/zinc/38/58/13/184385813.db2.gz POGIZANLJWEGAP-UHFFFAOYSA-N -1 0 307.346 1.649 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2cc(-c3ccccc3)on2)CCO1 ZINC000238124041 257238047 /nfs/dbraw/zinc/23/80/47/257238047.db2.gz QLNLXISTMMCEEP-CQSZACIVSA-N -1 0 316.313 1.196 50 0 DDAARM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000069702557 184838909 /nfs/dbraw/zinc/83/89/09/184838909.db2.gz YJVHDHXKDLTLOA-ZDUSSCGKSA-N -1 0 313.375 1.324 50 0 DDAARM COc1cccc(N2CCN(c3ncncc3C(=O)[O-])CC2)c1 ZINC000095353718 134424552 /nfs/dbraw/zinc/42/45/52/134424552.db2.gz OIJVGKZEVGYMGJ-UHFFFAOYSA-N -1 0 314.345 1.510 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nccs2)cc1OC ZINC000000212592 406632253 /nfs/dbraw/zinc/63/22/53/406632253.db2.gz LVMRKNBLNUYRAG-UHFFFAOYSA-N -1 0 300.361 1.961 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000000527854 406654034 /nfs/dbraw/zinc/65/40/34/406654034.db2.gz KGZXPTQGWLZTSD-LLVKDONJSA-N -1 0 313.375 1.489 50 0 DDAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002132903 406685442 /nfs/dbraw/zinc/68/54/42/406685442.db2.gz LJRLLGVCKZHEJZ-SNVBAGLBSA-N -1 0 319.313 1.460 50 0 biogenic DDAARM C[C@H](c1cccnc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000002545033 406690513 /nfs/dbraw/zinc/69/05/13/406690513.db2.gz YJVLFNZBZUJYKU-PICPHLGASA-N -1 0 300.314 1.009 50 0 DDAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 ZINC000002633040 406694079 /nfs/dbraw/zinc/69/40/79/406694079.db2.gz IUKNUIPYYGWRKE-SECBINFHSA-N -1 0 319.766 1.496 50 0 DDAARM CCS(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000002777966 406697634 /nfs/dbraw/zinc/69/76/34/406697634.db2.gz SBMNNUVHRUJBDT-UHFFFAOYSA-N -1 0 300.771 1.741 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000323403 406640712 /nfs/dbraw/zinc/64/07/12/406640712.db2.gz HHAAIAYQIHCDFL-NEPJUHHUSA-N -1 0 303.314 1.699 50 0 DDAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(C(F)(F)F)n2)cc1 ZINC000003223686 406713918 /nfs/dbraw/zinc/71/39/18/406713918.db2.gz JLBITKQKSSHPPT-UHFFFAOYSA-N -1 0 318.280 1.878 50 0 DDAARM Cc1ccnc2nc(C(=O)[N-]c3nnc(CC(C)C)s3)nn21 ZINC000003387091 406715911 /nfs/dbraw/zinc/71/59/11/406715911.db2.gz UAGNFVLULTVRTA-UHFFFAOYSA-N -1 0 317.378 1.735 50 0 DDAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCc1cccnc1 ZINC000008973862 406800525 /nfs/dbraw/zinc/80/05/25/406800525.db2.gz FJBIZOPWPYZMGN-UHFFFAOYSA-N -1 0 309.325 1.488 50 0 DDAARM CN(CC(=O)[O-])c1nc2c(cccc2S(C)(=O)=O)s1 ZINC000070635283 406820129 /nfs/dbraw/zinc/82/01/29/406820129.db2.gz VKEFLERFAUNWNL-UHFFFAOYSA-N -1 0 300.361 1.221 50 0 DDAARM CNC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000027056644 406908176 /nfs/dbraw/zinc/90/81/76/406908176.db2.gz CHRGYSFUNJDKTE-STQMWFEESA-N -1 0 316.357 1.960 50 0 DDAARM O=C([O-])[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000012504680 406847334 /nfs/dbraw/zinc/84/73/34/406847334.db2.gz IEMGTWXFCBVWDG-JSGCOSHPSA-N -1 0 321.354 1.048 50 0 DDAARM COc1ccccc1OCCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167156 406859803 /nfs/dbraw/zinc/85/98/03/406859803.db2.gz RKKFYUWVEJPRSV-UHFFFAOYSA-N -1 0 307.346 1.787 50 0 DDAARM COCCNC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1Cl ZINC000013315861 406861478 /nfs/dbraw/zinc/86/14/78/406861478.db2.gz WGWLPKKOXZFKCD-MRVPVSSYSA-N -1 0 301.726 1.568 50 0 DDAARM COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000016622432 406883612 /nfs/dbraw/zinc/88/36/12/406883612.db2.gz XIVAYKOUAKTHEH-ZDUSSCGKSA-N -1 0 315.391 1.700 50 0 DDAARM CS(=O)(=O)N1CCCC[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000025285291 406895816 /nfs/dbraw/zinc/89/58/16/406895816.db2.gz DDVNQQYRAXAKNR-CYBMUJFWSA-N -1 0 312.391 1.049 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c(OC)c1 ZINC000012391472 406843474 /nfs/dbraw/zinc/84/34/74/406843474.db2.gz UKKGBJFBCUKJCG-GFCCVEGCSA-N -1 0 316.317 1.587 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000029010040 406920991 /nfs/dbraw/zinc/92/09/91/406920991.db2.gz NGVCZDQOULFRBJ-GHMZBOCLSA-N -1 0 316.313 1.623 50 0 DDAARM Cc1noc(C)c1CC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000075572167 406935022 /nfs/dbraw/zinc/93/50/22/406935022.db2.gz MGLAYSGYTCRPTF-UHFFFAOYSA-N -1 0 302.330 1.891 50 0 DDAARM CCc1n[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)cn21 ZINC000075536557 406935271 /nfs/dbraw/zinc/93/52/71/406935271.db2.gz WVKQGMWMNFULFW-UHFFFAOYSA-N -1 0 318.358 1.386 50 0 DDAARM Cn1ccnc1N1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000076084282 406953983 /nfs/dbraw/zinc/95/39/83/406953983.db2.gz XJUXYBOBHNSFOZ-UHFFFAOYSA-N -1 0 320.780 1.742 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])c(OC)c1 ZINC000033451376 406962141 /nfs/dbraw/zinc/96/21/41/406962141.db2.gz JKYGMDUKSQHRGS-CFNZNRNTSA-N -1 0 305.330 1.793 50 0 DDAARM O=C(c1cccc(-n2cccn2)c1)N1CCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000077321487 406984093 /nfs/dbraw/zinc/98/40/93/406984093.db2.gz GVEXJTCOJPPQTC-CYBMUJFWSA-N -1 0 324.344 1.261 50 0 DDAARM NS(=O)(=O)c1ccc(N2CCCCCCC2)c(C(=O)[O-])c1 ZINC000037309304 406987173 /nfs/dbraw/zinc/98/71/73/406987173.db2.gz DBOFKPWDGQRGBP-UHFFFAOYSA-N -1 0 312.391 1.803 50 0 DDAARM O=C([O-])C1CCN(Cc2nncn2-c2ccccc2F)CC1 ZINC000085346261 407098968 /nfs/dbraw/zinc/09/89/68/407098968.db2.gz SBQLAUZBQUFGMI-UHFFFAOYSA-N -1 0 304.325 1.703 50 0 DDAARM CO[N-]C(=O)CN(C)C(=O)c1ccc(Br)s1 ZINC000048477148 407099802 /nfs/dbraw/zinc/09/98/02/407099802.db2.gz QGIUKVOZVQLOMT-UHFFFAOYSA-N -1 0 307.169 1.260 50 0 DDAARM COCC[C@@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC000052784845 407157839 /nfs/dbraw/zinc/15/78/39/407157839.db2.gz GXSBEJGIXJPYBY-SECBINFHSA-N -1 0 315.709 1.288 50 0 DDAARM CC[C@@](C)(NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000089941977 407160541 /nfs/dbraw/zinc/16/05/41/407160541.db2.gz VIOLRPDNILRAAB-CZUORRHYSA-N -1 0 306.362 1.623 50 0 DDAARM O=C([O-])CN1c2ccccc2C(=O)N[C@H](Cc2ccccc2)C1=O ZINC000096343463 407259112 /nfs/dbraw/zinc/25/91/12/407259112.db2.gz QKBULOHTRSRXBQ-CQSZACIVSA-N -1 0 324.336 1.459 50 0 DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2noc(C(C)C)n2)cn1 ZINC000095358235 407209295 /nfs/dbraw/zinc/20/92/95/407209295.db2.gz DLASQQVHBPPTTM-ZDUSSCGKSA-N -1 0 320.349 1.854 50 0 DDAARM C[C@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1nnn[n-]1 ZINC000095364016 407209332 /nfs/dbraw/zinc/20/93/32/407209332.db2.gz VTTDRXKKMKSNCW-VIFPVBQESA-N -1 0 310.321 1.224 50 0 DDAARM CCCSc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000096148225 407240681 /nfs/dbraw/zinc/24/06/81/407240681.db2.gz CQZWQBGDKMGIIB-UHFFFAOYSA-N -1 0 307.379 1.922 50 0 DDAARM CCCC[C@H]1C(=O)N(C)CCN1Cc1ncccc1C(=O)[O-] ZINC000065506562 407244169 /nfs/dbraw/zinc/24/41/69/407244169.db2.gz FNRHUFJDDVEKPR-AWEZNQCLSA-N -1 0 305.378 1.613 50 0 DDAARM CCCC[C@@H]1C(=O)N(C)CCN1Cc1ncccc1C(=O)[O-] ZINC000065506560 407244458 /nfs/dbraw/zinc/24/44/58/407244458.db2.gz FNRHUFJDDVEKPR-CQSZACIVSA-N -1 0 305.378 1.613 50 0 DDAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2[nH]cnc21 ZINC000097164229 407284630 /nfs/dbraw/zinc/28/46/30/407284630.db2.gz UKOJXHBGNDDHLB-UHFFFAOYSA-N -1 0 305.363 1.714 50 0 DDAARM COC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C1CC1 ZINC000124479942 407359632 /nfs/dbraw/zinc/35/96/32/407359632.db2.gz WRRLDYVBPGTBMV-GFCCVEGCSA-N -1 0 319.386 1.367 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C)O2)s1 ZINC000126045597 407403552 /nfs/dbraw/zinc/40/35/52/407403552.db2.gz ZDOBALHQBHFKAT-RCOVLWMOSA-N -1 0 304.393 1.132 50 0 DDAARM CC[C@@H](C(=O)NCCc1nc(C(=O)[O-])cs1)n1cccn1 ZINC000220276605 407541327 /nfs/dbraw/zinc/54/13/27/407541327.db2.gz ADZQUFPJBXSAQW-JTQLQIEISA-N -1 0 308.363 1.348 50 0 DDAARM COCCNC(=O)c1c(=O)n(C(C)C)[n-]c1-c1ccc(F)cc1 ZINC000225573949 407597073 /nfs/dbraw/zinc/59/70/73/407597073.db2.gz VHISLTVCECAQFO-UHFFFAOYSA-N -1 0 321.352 1.940 50 0 DDAARM CC(=O)NC1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CC1 ZINC000236637582 407738898 /nfs/dbraw/zinc/73/88/98/407738898.db2.gz GBTXQCUINBZTPD-QPJJXVBHSA-N -1 0 316.357 1.525 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CCO1 ZINC000262440808 407836254 /nfs/dbraw/zinc/83/62/54/407836254.db2.gz URLRGZOAAYJTIJ-LNLATYFQSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000237949290 407854784 /nfs/dbraw/zinc/85/47/84/407854784.db2.gz FYDLJFXTPYCUFR-VIFPVBQESA-N -1 0 322.748 1.426 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCO1 ZINC000238122156 407892662 /nfs/dbraw/zinc/89/26/62/407892662.db2.gz LYGYHOYWVPOTKI-CQSZACIVSA-N -1 0 321.348 1.950 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cncc3ccccc32)C1 ZINC000263013782 408001941 /nfs/dbraw/zinc/00/19/41/408001941.db2.gz NGLWOOQMDMBULH-KRWDZBQOSA-N -1 0 314.341 1.798 50 0 DDAARM Cc1cccc([C@H](NC(=O)C2=NN(C)C(=O)CC2)C(=O)[O-])c1C ZINC000263020732 408004435 /nfs/dbraw/zinc/00/44/35/408004435.db2.gz MDQULEAIJSWSML-AWEZNQCLSA-N -1 0 317.345 1.154 50 0 DDAARM CCc1occc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000263544282 408170811 /nfs/dbraw/zinc/17/08/11/408170811.db2.gz SIYMATUNDLJSGD-NSHDSACASA-N -1 0 322.361 1.237 50 0 DDAARM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2n[nH]nc2c1 ZINC000184167655 408561405 /nfs/dbraw/zinc/56/14/05/408561405.db2.gz XCSGLIHSNASFPG-UHFFFAOYSA-N -1 0 308.301 1.058 50 0 DDAARM COc1ccc(CCCC(=O)N2C[C@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000262208123 163785564 /nfs/dbraw/zinc/78/55/64/163785564.db2.gz XKMQIPOOJOJYJK-HUUCEWRRSA-N -1 0 321.373 1.718 50 0 DDAARM CCCC(=O)N1CCC[C@@H](C(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000262747855 163872950 /nfs/dbraw/zinc/87/29/50/163872950.db2.gz JZNPAYSPEWJNLC-ABAIWWIYSA-N -1 0 314.357 1.050 50 0 DDAARM C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)c3ccccc32)C[C@H]1C(=O)[O-] ZINC000263281327 296863826 /nfs/dbraw/zinc/86/38/26/296863826.db2.gz XHWKEJJESAKQMM-LERXQTSPSA-N -1 0 301.342 1.926 50 0 DDAARM CSCC[C@H](NC(=O)c1nn(C)c(C)c1Cl)C(=O)[O-] ZINC000299803195 410642280 /nfs/dbraw/zinc/64/22/80/410642280.db2.gz ZTHXKSSTEJPFTQ-ZETCQYMHSA-N -1 0 305.787 1.318 50 0 DDAARM Cc1cccc(-n2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)nn2)c1 ZINC000136109441 196520220 /nfs/dbraw/zinc/52/02/20/196520220.db2.gz UOJYUDYTVGOSBQ-LBPRGKRZSA-N -1 0 314.345 1.513 50 0 DDAARM CC[C@@](NC(=O)c1cn(C)nc1C)(C(=O)[O-])c1ccccc1 ZINC000262430741 287405005 /nfs/dbraw/zinc/40/50/05/287405005.db2.gz OGEAABCIFGXROL-INIZCTEOSA-N -1 0 301.346 1.848 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)c(C)c1 ZINC000069674935 418487861 /nfs/dbraw/zinc/48/78/61/418487861.db2.gz BRFOQZMOSLXVPC-UHFFFAOYSA-N -1 0 320.370 2.286 50 0 DDAARM Cc1cccc(CC(=O)N2CCc3c(nc4cc[n-]n4c3=O)C2)c1 ZINC000102990095 418495718 /nfs/dbraw/zinc/49/57/18/418495718.db2.gz PNPIIADEJNOPFZ-UHFFFAOYSA-N -1 0 322.368 1.458 50 0 DDAARM Cc1cccc([C@H](NC(=O)C2(Cn3cccn3)CC2)C(=O)[O-])c1 ZINC000426667653 419528751 /nfs/dbraw/zinc/52/87/51/419528751.db2.gz UIJXKDJITOEXDG-AWEZNQCLSA-N -1 0 313.357 1.914 50 0 DDAARM CO[C@H](C)c1nc(C)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000427965062 228686884 /nfs/dbraw/zinc/68/68/84/228686884.db2.gz PHXMFTPFHIBTSS-RKDXNWHRSA-N -1 0 314.363 1.085 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCCOc2ccc(F)cc2)CCO1 ZINC000299745215 229386673 /nfs/dbraw/zinc/38/66/73/229386673.db2.gz WTJOFZWGEDSTQG-CYBMUJFWSA-N -1 0 311.309 1.297 50 0 DDAARM CC(C)Oc1ccc(CCNC(=O)CCc2nnn[n-]2)cc1 ZINC000585120921 422307101 /nfs/dbraw/zinc/30/71/01/422307101.db2.gz WVOXKUYLHMLPCW-UHFFFAOYSA-N -1 0 303.366 1.278 50 0 DDAARM CC(C)(C)[C@@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000095424665 278490423 /nfs/dbraw/zinc/49/04/23/278490423.db2.gz MUTQTTOIGQRIPP-GWCFXTLKSA-N -1 0 304.346 1.728 50 0 DDAARM CC(C)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000088376812 280611496 /nfs/dbraw/zinc/61/14/96/280611496.db2.gz UWPUZEAYSXQUQR-CYBMUJFWSA-N -1 0 313.375 1.284 50 0 DDAARM CCn1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC)n1 ZINC000002809450 288698633 /nfs/dbraw/zinc/69/86/33/288698633.db2.gz MQKXMRRTUZYOPZ-VHSXEESVSA-N -1 0 322.365 1.092 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](C)C1 ZINC000013073865 295099066 /nfs/dbraw/zinc/09/90/66/295099066.db2.gz UTMMMOLEZYNHRU-SNVBAGLBSA-N -1 0 313.375 1.814 50 0 DDAARM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)N1CCCCCC1 ZINC000164864401 298214216 /nfs/dbraw/zinc/21/42/16/298214216.db2.gz TWDZCQZEHKHSTC-DGCLKSJQSA-N -1 0 304.412 1.340 50 0 DDAARM Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])nc(C(F)(F)F)n1 ZINC000263517593 301097774 /nfs/dbraw/zinc/09/77/74/301097774.db2.gz FMXVFHWLSMGHRZ-QMMMGPOBSA-N -1 0 303.240 1.493 50 0 DDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCC2)ccc1-n1cncn1 ZINC000237711766 301129644 /nfs/dbraw/zinc/12/96/44/301129644.db2.gz APQMBAQJKLCEBS-UHFFFAOYSA-N -1 0 300.318 1.313 50 0 DDAARM Cc1nn2c([n-]1)ncc(C(=O)N[C@H]1CCc3ccccc3C1)c2=O ZINC000220476733 302645513 /nfs/dbraw/zinc/64/55/13/302645513.db2.gz OHTUDLADDYJOCF-ZDUSSCGKSA-N -1 0 323.356 1.013 50 0 DDAARM CCCCN1CCc2ccc(NC(=O)c3n[nH]c(=O)[n-]3)cc21 ZINC000084744486 484001679 /nfs/dbraw/zinc/00/16/79/484001679.db2.gz YXTFPWIOKITSFE-UHFFFAOYSA-N -1 0 301.350 1.925 50 0 DDAARM C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000659218013 484694263 /nfs/dbraw/zinc/69/42/63/484694263.db2.gz MJIOBQLYASDVAO-GMSGAONNSA-N -1 0 318.251 1.572 50 0 DDAARM C[C@@H]1OCCC[C@@H]1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000668287614 485079262 /nfs/dbraw/zinc/07/92/62/485079262.db2.gz HLAYXEKCUFJUMJ-BPNCWPANSA-N -1 0 309.337 1.925 50 0 DDAARM Cc1cn(CC(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc12 ZINC000299752011 534500814 /nfs/dbraw/zinc/50/08/14/534500814.db2.gz SJHGXINVVOBSHG-AWEZNQCLSA-N -1 0 302.330 1.262 50 0 DDAARM CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299752851 528787815 /nfs/dbraw/zinc/78/78/15/528787815.db2.gz VTDUHGFRLZWLQD-NEPJUHHUSA-N -1 0 307.346 1.773 50 0 DDAARM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299746403 529160071 /nfs/dbraw/zinc/16/00/71/529160071.db2.gz XDIJEAJZAOVFFJ-UONOGXRCSA-N -1 0 307.346 1.464 50 0 DDAARM O=C([O-])/C=C/CC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000044980425 696171056 /nfs/dbraw/zinc/17/10/56/696171056.db2.gz SHYJZEDZOVTWQZ-QHHAFSJGSA-N -1 0 304.302 1.608 50 0 DDAARM O=C([O-])C[C@H]1COCCN1Cc1ccnn1-c1ccccc1 ZINC000072151297 696393376 /nfs/dbraw/zinc/39/33/76/696393376.db2.gz ZXKNHZLTLHJAFL-HNNXBMFYSA-N -1 0 301.346 1.548 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000263528303 698511415 /nfs/dbraw/zinc/51/14/15/698511415.db2.gz VDWNHWFGYVXCLX-PWSUYJOCSA-N -1 0 305.330 1.783 50 0 DDAARM CN(CCC(=O)[O-])C(=O)/C=C\c1ccc(N2CCCC2=O)cc1 ZINC000606441133 699217522 /nfs/dbraw/zinc/21/75/22/699217522.db2.gz QKXZAJRSYWJIHZ-TWGQIWQCSA-N -1 0 316.357 1.760 50 0 DDAARM CCc1ccc2occ(C(=O)NCCc3n[nH]c(=O)[n-]3)c2c1 ZINC000952845532 775568835 /nfs/dbraw/zinc/56/88/35/775568835.db2.gz QHPXVWKHBYALRX-UHFFFAOYSA-N -1 0 300.318 1.791 50 0 DDAARM Cc1ncsc1CCC(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000095501923 185375103 /nfs/dbraw/zinc/37/51/03/185375103.db2.gz ZTSBZOZUFJFJIK-NSHDSACASA-N -1 0 320.374 1.145 50 0 DDAARM CCCn1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)[O-])c(C)n1 ZINC000095520382 185377065 /nfs/dbraw/zinc/37/70/65/185377065.db2.gz FRQOAXJOZFPIQY-ZDUSSCGKSA-N -1 0 305.334 1.620 50 0 DDAARM CNC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cn1 ZINC000262968445 290625678 /nfs/dbraw/zinc/62/56/78/290625678.db2.gz PGEDMKDXEHQADT-LBPRGKRZSA-N -1 0 319.361 1.301 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)Cc1c(F)cccc1F ZINC000088809219 185266400 /nfs/dbraw/zinc/26/64/00/185266400.db2.gz GWCOKQPNQKFEQP-UHFFFAOYSA-N -1 0 306.334 1.210 50 0 DDAARM COc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(=O)[O-])CC2=O)cc1 ZINC000096999747 185395908 /nfs/dbraw/zinc/39/59/08/185395908.db2.gz NWBRITYGVGLIII-JTQLQIEISA-N -1 0 320.345 1.028 50 0 DDAARM Cn1nccc1/C=C\C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000255565661 282266213 /nfs/dbraw/zinc/26/62/13/282266213.db2.gz GFBDKQGFZSNTQU-IDTUSYRASA-N -1 0 311.341 1.471 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cnn(-c2ccccc2)n1 ZINC000095424876 185361415 /nfs/dbraw/zinc/36/14/15/185361415.db2.gz RONCOGBMCXFVDC-OAHLLOKOSA-N -1 0 302.334 1.641 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N(CC(=O)[O-])C3CC3)ccc21 ZINC000236590285 201929591 /nfs/dbraw/zinc/92/95/91/201929591.db2.gz PEKOOQINAZZDBS-UHFFFAOYSA-N -1 0 302.330 1.285 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2c(C)oc(C)c2C)C1 ZINC000685940276 539564755 /nfs/dbraw/zinc/56/47/55/539564755.db2.gz CBDZDNBXNMBIND-RYUDHWBXSA-N -1 0 322.361 1.256 50 0 DDAARM O=C([O-])C1(NC(=O)c2cccc3c2OCCO3)CCCCC1 ZINC000072283155 191103881 /nfs/dbraw/zinc/10/38/81/191103881.db2.gz XLXYEKNJOQTQCZ-UHFFFAOYSA-N -1 0 305.330 1.975 50 0 DDAARM C[C@@H](CN(C(=O)[C@H]1Cc2cccc(F)c2O1)C1CC1)C(=O)[O-] ZINC000237458973 186293203 /nfs/dbraw/zinc/29/32/03/186293203.db2.gz ATPBXINVJBJCEZ-TVQRCGJNSA-N -1 0 307.321 1.841 50 0 DDAARM Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)[O-] ZINC000072328127 191123631 /nfs/dbraw/zinc/12/36/31/191123631.db2.gz LOIIXMUDODHSDO-UHFFFAOYSA-N -1 0 324.337 1.312 50 0 DDAARM CSc1nc(C)cc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000000392451 352109227 /nfs/dbraw/zinc/10/92/27/352109227.db2.gz GJVZPTVQXBMVHL-UHFFFAOYSA-N -1 0 310.404 1.890 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000072420108 191156706 /nfs/dbraw/zinc/15/67/06/191156706.db2.gz XLOVNDHUQIMCHX-GFCCVEGCSA-N -1 0 303.362 1.476 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3ccoc3C)CC2)c1 ZINC000072429329 191163018 /nfs/dbraw/zinc/16/30/18/191163018.db2.gz JXFTUONAFFWZBR-UHFFFAOYSA-N -1 0 317.345 1.809 50 0 DDAARM Cc1nc[nH]c1CN1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072477528 191179340 /nfs/dbraw/zinc/17/93/40/191179340.db2.gz OONXULFUQGQUKI-UHFFFAOYSA-N -1 0 303.366 1.338 50 0 DDAARM CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H]2[C@@H](C(=O)[O-])[C@@H]21 ZINC000048546903 352542415 /nfs/dbraw/zinc/54/24/15/352542415.db2.gz QZAJZQPLUXEMRR-MNCBOJJASA-N -1 0 306.314 1.419 50 0 DDAARM COc1cccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[n-]2)c1 ZINC000049551410 352555514 /nfs/dbraw/zinc/55/55/14/352555514.db2.gz XWPREFFGIIZEPT-LLVKDONJSA-N -1 0 308.359 1.212 50 0 DDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccc(C)o1 ZINC000003518543 181029239 /nfs/dbraw/zinc/02/92/39/181029239.db2.gz DIEHLBDYGRLIQW-UHFFFAOYSA-N -1 0 317.297 1.710 50 0 DDAARM CCC(=O)N1CCc2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)ccc21 ZINC000236780110 202004033 /nfs/dbraw/zinc/00/40/33/202004033.db2.gz AVKJUZVFQYZVFB-CYBMUJFWSA-N -1 0 316.357 1.532 50 0 DDAARM CCC(=O)[N-]S(=O)(=O)c1cc(Br)ccc1C ZINC000193506378 354291909 /nfs/dbraw/zinc/29/19/09/354291909.db2.gz XKFHCAMSOHVYFA-UHFFFAOYSA-N -1 0 306.181 1.972 50 0 DDAARM Nc1ccc(S(=O)(=O)[N-]c2ncc3c(n2)CCCC3)cc1 ZINC000004543155 181122499 /nfs/dbraw/zinc/12/24/99/181122499.db2.gz IPDKSGJFMBIZJI-UHFFFAOYSA-N -1 0 304.375 1.738 50 0 DDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000004671287 181134583 /nfs/dbraw/zinc/13/45/83/181134583.db2.gz GRCYBILJJACYPP-SNVBAGLBSA-N -1 0 307.730 1.717 50 0 DDAARM O=C([O-])/C=C\C(=O)Nc1ccc(I)cc1 ZINC000004952132 181178196 /nfs/dbraw/zinc/17/81/96/181178196.db2.gz KSVGHDGDESFZOK-WAYWQWQTSA-N -1 0 317.082 1.871 50 0 DDAARM CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)ccc1OC ZINC000005018801 181191856 /nfs/dbraw/zinc/19/18/56/181191856.db2.gz IJFAXYSUHHGLHV-UXBLZVDNSA-N -1 0 320.301 1.071 50 0 DDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1n[nH]c2ccccc21 ZINC000238108262 304052328 /nfs/dbraw/zinc/05/23/28/304052328.db2.gz PHVOSLPANRKCEV-LLVKDONJSA-N -1 0 317.345 1.659 50 0 DDAARM CCOC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000005828796 181287543 /nfs/dbraw/zinc/28/75/43/181287543.db2.gz HRFYEAOTNUSCGI-LBPRGKRZSA-N -1 0 309.318 1.709 50 0 DDAARM C[C@H](CN(C)C(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)[O-] ZINC000237579202 202290250 /nfs/dbraw/zinc/29/02/50/202290250.db2.gz BMLFEBRDMITHRK-GFCCVEGCSA-N -1 0 318.373 1.996 50 0 DDAARM Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000237653951 202317934 /nfs/dbraw/zinc/31/79/34/202317934.db2.gz VMNIRDJFMYTQGP-CHWSQXEVSA-N -1 0 316.357 1.281 50 0 DDAARM Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237653286 202318609 /nfs/dbraw/zinc/31/86/09/202318609.db2.gz ICRIEOMXKVVPGO-CQSZACIVSA-N -1 0 320.389 1.347 50 0 DDAARM Cn1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000237713788 202335167 /nfs/dbraw/zinc/33/51/67/202335167.db2.gz CYTSREWJROFYNH-HNNXBMFYSA-N -1 0 314.341 1.618 50 0 DDAARM Cc1nc(C(=O)NC2(C(=O)[O-])CC2)nn1-c1ccccc1Cl ZINC000237828262 202364092 /nfs/dbraw/zinc/36/40/92/202364092.db2.gz NDMXVLKPHZLIKN-UHFFFAOYSA-N -1 0 320.736 1.576 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCC1 ZINC000237949944 202401617 /nfs/dbraw/zinc/40/16/17/202401617.db2.gz JPDHBGPKBRTLIW-JTQLQIEISA-N -1 0 306.293 1.375 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)cc1 ZINC000006678626 181369552 /nfs/dbraw/zinc/36/95/52/181369552.db2.gz CYZZEMXXRIYRKA-UHFFFAOYSA-N -1 0 312.372 1.656 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnn2c1CCC2 ZINC000263222864 304149782 /nfs/dbraw/zinc/14/97/82/304149782.db2.gz ZFHJOGAXIZLXDU-QKCSRTOESA-N -1 0 303.362 1.687 50 0 DDAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1COCCO1 ZINC000262414236 203288130 /nfs/dbraw/zinc/28/81/30/203288130.db2.gz ORPGWDRBSQBCJL-CYBMUJFWSA-N -1 0 309.318 1.526 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCOc1cccc(F)c1 ZINC000262535601 203322784 /nfs/dbraw/zinc/32/27/84/203322784.db2.gz UFWFBNNHQPYYAU-CYBMUJFWSA-N -1 0 311.309 1.297 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000262632589 203357708 /nfs/dbraw/zinc/35/77/08/203357708.db2.gz OQNSRWAMQIQYFI-ZIAGYGMSSA-N -1 0 316.357 1.146 50 0 DDAARM C[C@@H](NC(=O)c1ccc(NC(=O)[C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000263031160 203430315 /nfs/dbraw/zinc/43/03/15/203430315.db2.gz VADKCFCYSJQTFA-ZYHUDNBSSA-N -1 0 320.345 1.255 50 0 DDAARM CC(C)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])no1 ZINC000095367951 193433841 /nfs/dbraw/zinc/43/38/41/193433841.db2.gz OLUCZNVHGUQHML-ZDUSSCGKSA-N -1 0 318.329 1.929 50 0 DDAARM CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170974 181836790 /nfs/dbraw/zinc/83/67/90/181836790.db2.gz QMEZISSVZNZBIY-JTQLQIEISA-N -1 0 311.359 1.027 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000002117362 304171723 /nfs/dbraw/zinc/17/17/23/304171723.db2.gz JSHKCLVDTGIHEU-AWEZNQCLSA-N -1 0 310.309 1.558 50 0 biogenic DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000020200449 182196733 /nfs/dbraw/zinc/19/67/33/182196733.db2.gz UJZAKUMRSOPVRH-NSHDSACASA-N -1 0 317.794 1.966 50 0 DDAARM Cc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)nn1CC(F)F ZINC000020617036 182239153 /nfs/dbraw/zinc/23/91/53/182239153.db2.gz IBNCRFPLJVOLMA-UHFFFAOYSA-N -1 0 313.264 1.141 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CCCN(C)CC2)cc1C(=O)[O-] ZINC000021515960 182277036 /nfs/dbraw/zinc/27/70/36/182277036.db2.gz ASPSFTAAUYOYRQ-UHFFFAOYSA-N -1 0 312.391 1.019 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000034926372 182744550 /nfs/dbraw/zinc/74/45/50/182744550.db2.gz QUUAUSDYQPWPQF-GJZGRUSLSA-N -1 0 316.401 1.688 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCc1cnccn1 ZINC000426421306 304206361 /nfs/dbraw/zinc/20/63/61/304206361.db2.gz SKLWSYAJFJPTHE-OAHLLOKOSA-N -1 0 311.341 1.447 50 0 DDAARM CN(CC1CCOCC1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000336851736 249257248 /nfs/dbraw/zinc/25/72/48/249257248.db2.gz BEFJYMCNZWIOAZ-UHFFFAOYSA-N -1 0 306.362 1.953 50 0 DDAARM O=C([O-])c1ccc(-n2ccc3c(cnc4ncnn43)c2=O)cc1 ZINC000036366978 304231133 /nfs/dbraw/zinc/23/11/33/304231133.db2.gz HJTIWEPCXPUONJ-UHFFFAOYSA-N -1 0 307.269 1.127 50 0 DDAARM C[C@H](Nc1nc(N)nc2ccc(C(=O)[O-])cc21)c1cnn(C)c1 ZINC000065385362 184333366 /nfs/dbraw/zinc/33/33/66/184333366.db2.gz JOJGWTKFCQGCNW-QMMMGPOBSA-N -1 0 312.333 1.817 50 0 DDAARM Cc1ccccc1[N-]S(=O)(=O)c1cc2n(c1)CCN(C)C2=O ZINC000065254652 184318518 /nfs/dbraw/zinc/31/85/18/184318518.db2.gz OTXCYLOSQBTJDD-UHFFFAOYSA-N -1 0 319.386 1.683 50 0 DDAARM CCCCC(=O)Nc1ccc(C(=O)N[C@H](C)c2nnn[n-]2)cc1 ZINC000065419449 184341494 /nfs/dbraw/zinc/34/14/94/184341494.db2.gz QPRBWMODAIKUBD-SNVBAGLBSA-N -1 0 316.365 1.819 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2csc(-c3ncccn3)n2)C1 ZINC000065528363 184360474 /nfs/dbraw/zinc/36/04/74/184360474.db2.gz ARGUHEQIQXKACJ-QMMMGPOBSA-N -1 0 304.331 1.033 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCO1 ZINC000238129216 256599888 /nfs/dbraw/zinc/59/98/88/256599888.db2.gz JBKNHUMKTGOQOA-GFCCVEGCSA-N -1 0 308.721 1.747 50 0 DDAARM CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)[O-])ccc21 ZINC000000265065 406637430 /nfs/dbraw/zinc/63/74/30/406637430.db2.gz LYKPOFRVNYMZGB-UHFFFAOYSA-N -1 0 311.359 1.234 50 0 DDAARM CCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000000301557 406638970 /nfs/dbraw/zinc/63/89/70/406638970.db2.gz SYWPTHOAZFJIAK-UHFFFAOYSA-N -1 0 322.342 1.747 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000069810651 406775050 /nfs/dbraw/zinc/77/50/50/406775050.db2.gz VLKKLLOTICRZSS-LBPRGKRZSA-N -1 0 317.794 1.969 50 0 DDAARM CCOc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1OCC ZINC000008016636 406775100 /nfs/dbraw/zinc/77/51/00/406775100.db2.gz OIGCGAAYKKTIRH-LBPRGKRZSA-N -1 0 307.346 1.917 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)CCc1ccc(F)c(F)c1 ZINC000072149514 406873995 /nfs/dbraw/zinc/87/39/95/406873995.db2.gz GZPQGKRPRAGICC-LLVKDONJSA-N -1 0 313.300 1.600 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000072275681 406877246 /nfs/dbraw/zinc/87/72/46/406877246.db2.gz LBDHJEMVGIXLGO-RISCZKNCSA-N -1 0 324.402 1.055 50 0 DDAARM CS(=O)(=O)N1CCCC[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000025285295 406895882 /nfs/dbraw/zinc/89/58/82/406895882.db2.gz DDVNQQYRAXAKNR-ZDUSSCGKSA-N -1 0 312.391 1.049 50 0 DDAARM O=C(c1ccc(S(=O)(=O)[N-]c2cccnc2)o1)N1CCCC1 ZINC000035597406 406973046 /nfs/dbraw/zinc/97/30/46/406973046.db2.gz KIVIRRFAYSLCSD-UHFFFAOYSA-N -1 0 321.358 1.711 50 0 DDAARM COc1ccc(CCN2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1 ZINC000036597439 406980145 /nfs/dbraw/zinc/98/01/45/406980145.db2.gz ICLUIIGOEHRLPK-GFCCVEGCSA-N -1 0 306.318 1.023 50 0 DDAARM CCc1nc(CN(C)[C@@H](C(=O)[O-])c2ccc3c(c2)OCO3)no1 ZINC000095361921 407208757 /nfs/dbraw/zinc/20/87/57/407208757.db2.gz HPUSGRDKXDVDRD-CQSZACIVSA-N -1 0 319.317 1.618 50 0 DDAARM Cc1nc(CC(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)cs1 ZINC000095385137 407212425 /nfs/dbraw/zinc/21/24/25/407212425.db2.gz TZCFAIAEARXRLE-GFCCVEGCSA-N -1 0 308.363 1.276 50 0 DDAARM CNC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000067245475 407270077 /nfs/dbraw/zinc/27/00/77/407270077.db2.gz NLNLIFCJMJEDQG-UHFFFAOYSA-N -1 0 312.326 1.018 50 0 DDAARM COc1ccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)cc1Cl ZINC000098063956 407304889 /nfs/dbraw/zinc/30/48/89/407304889.db2.gz WSIKBKAOHJSLDY-SSDOTTSWSA-N -1 0 307.755 1.588 50 0 DDAARM COc1ccccc1-c1cc(=O)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000101449792 407309718 /nfs/dbraw/zinc/30/97/18/407309718.db2.gz PJTIOCBQHHILHB-JTQLQIEISA-N -1 0 308.359 1.624 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000122874578 407313171 /nfs/dbraw/zinc/31/31/71/407313171.db2.gz ATZVWSBXSQSITG-NXEZZACHSA-N -1 0 321.283 1.988 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000104318350 407350916 /nfs/dbraw/zinc/35/09/16/407350916.db2.gz UWOMSRJTBQZUKI-MCIONIFRSA-N -1 0 301.342 1.858 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H](C)OCC2CC2)s1 ZINC000170650490 407466865 /nfs/dbraw/zinc/46/68/65/407466865.db2.gz VMCFKKMCUODAOJ-QMMMGPOBSA-N -1 0 318.420 1.380 50 0 DDAARM C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1nc(=O)[n-][nH]1 ZINC000215212752 407480792 /nfs/dbraw/zinc/48/07/92/407480792.db2.gz QHTPBZBPCOIBER-LURJTMIESA-N -1 0 300.240 1.608 50 0 DDAARM CN(CCOc1cccc(Cl)c1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000215817650 407491801 /nfs/dbraw/zinc/49/18/01/407491801.db2.gz ZNYAQWJLVOICMY-UHFFFAOYSA-N -1 0 323.736 1.912 50 0 DDAARM CCCc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)OC)cc1 ZINC000170619546 407456858 /nfs/dbraw/zinc/45/68/58/407456858.db2.gz IIWYULFOIYVXJC-JTQLQIEISA-N -1 0 313.375 1.260 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000271911130 407735598 /nfs/dbraw/zinc/73/55/98/407735598.db2.gz QORMPOBQPBBQFU-INIZCTEOSA-N -1 0 305.330 1.785 50 0 DDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262207978 407766890 /nfs/dbraw/zinc/76/68/90/407766890.db2.gz XHOUZGZQGFPMFH-QMMMGPOBSA-N -1 0 305.334 1.748 50 0 DDAARM O=C([O-])C1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000262991972 407995591 /nfs/dbraw/zinc/99/55/91/407995591.db2.gz DSIDIXIBLJCMEK-UHFFFAOYSA-N -1 0 316.308 1.913 50 0 DDAARM CC[S@@](=O)c1ccccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000263075589 408017768 /nfs/dbraw/zinc/01/77/68/408017768.db2.gz YQTVHKLAUIAEOC-WSVYEEACSA-N -1 0 309.387 1.893 50 0 DDAARM CO[C@H](CNC(=O)c1ccc(-c2cccs2)nc1C)C(=O)[O-] ZINC000263073521 408018625 /nfs/dbraw/zinc/01/86/25/408018625.db2.gz KCYAFJIFMDBDTN-GFCCVEGCSA-N -1 0 320.370 1.948 50 0 DDAARM CCn1c(=O)c2ccc(C(=O)NCC[C@H](C)O)cc2[n-]c1=S ZINC000136023596 408068561 /nfs/dbraw/zinc/06/85/61/408068561.db2.gz LYLSTFXAZQCLEJ-VIFPVBQESA-N -1 0 321.402 1.206 50 0 DDAARM O=C([O-])C1(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 ZINC000154769791 408083712 /nfs/dbraw/zinc/08/37/12/408083712.db2.gz BLPYTYSIYHGGEH-UHFFFAOYSA-N -1 0 316.357 1.272 50 0 DDAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)Cn1ncc2ccccc21 ZINC000263329321 408109242 /nfs/dbraw/zinc/10/92/42/408109242.db2.gz LERPJVQDYUDCGI-DGCLKSJQSA-N -1 0 301.346 1.748 50 0 DDAARM Cc1ccn(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c(=O)c1 ZINC000263411096 408133538 /nfs/dbraw/zinc/13/35/38/408133538.db2.gz IXOIIWBISXLINN-RDBSUJKOSA-N -1 0 318.373 1.401 50 0 DDAARM CC(C)(C)C(=O)NCc1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC000191079496 408370012 /nfs/dbraw/zinc/37/00/12/408370012.db2.gz OXMNAFPTULFVSP-UHFFFAOYSA-N -1 0 318.373 1.696 50 0 DDAARM CC[C@H](C(=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000191413040 408421620 /nfs/dbraw/zinc/42/16/20/408421620.db2.gz JAYMHSCMJOEFAR-CQSZACIVSA-N -1 0 308.353 1.376 50 0 DDAARM CN1CC[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1=O ZINC000163556561 408781876 /nfs/dbraw/zinc/78/18/76/408781876.db2.gz VYLHTSXGEYMVQP-MRVPVSSYSA-N -1 0 305.359 1.923 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)NC(=O)CS3)CCC1 ZINC000164850256 408804667 /nfs/dbraw/zinc/80/46/67/408804667.db2.gz OAZWXKGXGCVOIS-UHFFFAOYSA-N -1 0 306.343 1.468 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000165465942 408811525 /nfs/dbraw/zinc/81/15/25/408811525.db2.gz ZLXSUVUFWQFNOJ-SNVBAGLBSA-N -1 0 316.313 1.572 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000178076052 408771510 /nfs/dbraw/zinc/77/15/10/408771510.db2.gz YSKNGGUJJXOGPW-UHFFFAOYSA-N -1 0 318.373 1.826 50 0 DDAARM COCCn1cc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000170091817 408820146 /nfs/dbraw/zinc/82/01/46/408820146.db2.gz WYRPTKSMMPXKRW-DGCLKSJQSA-N -1 0 309.366 1.302 50 0 DDAARM Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263202268 163929940 /nfs/dbraw/zinc/92/99/40/163929940.db2.gz XMHYXQHWMQQIOJ-SKDRFNHKSA-N -1 0 319.361 1.668 50 0 DDAARM CN(c1cccc(CCC(=O)[O-])c1)S(=O)(=O)c1ccn(C)n1 ZINC000342460935 409650481 /nfs/dbraw/zinc/65/04/81/409650481.db2.gz VNINQHFIDVTQNH-UHFFFAOYSA-N -1 0 323.374 1.262 50 0 DDAARM O=C([O-])[C@@H]1CCCN1Cc1nc(CCc2ccccc2)no1 ZINC000262089509 222272078 /nfs/dbraw/zinc/27/20/78/222272078.db2.gz GUBPQSHCYQZVRB-ZDUSSCGKSA-N -1 0 301.346 1.904 50 0 DDAARM Cc1cc(C)n(CCN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000426477632 419480535 /nfs/dbraw/zinc/48/05/35/419480535.db2.gz BHIJIUXREPWHFV-ZDUSSCGKSA-N -1 0 310.398 1.641 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COCC(F)(F)F ZINC000299745457 229386867 /nfs/dbraw/zinc/38/68/67/229386867.db2.gz ZFRJOQNNPZPRJL-AEJSXWLSSA-N -1 0 309.284 1.810 50 0 DDAARM C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000583934703 422222247 /nfs/dbraw/zinc/22/22/47/422222247.db2.gz RTHVTHCCGFWGGI-WFASDCNBSA-N -1 0 318.373 1.178 50 0 DDAARM C[C@H]1C[C@H](NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H](C)C1 ZINC000585122238 422308401 /nfs/dbraw/zinc/30/84/01/422308401.db2.gz SFNOTUMAEPQHNX-PJXYFTJBSA-N -1 0 314.393 1.629 50 0 DDAARM O=C([O-])c1cc(NC(=O)[C@H]2CCc3c[nH]nc3C2)ccc1O ZINC000585138216 422311467 /nfs/dbraw/zinc/31/14/67/422311467.db2.gz WEWVHPZPGZIRIE-QMMMGPOBSA-N -1 0 301.302 1.557 50 0 DDAARM CCOc1ccccc1/C=C\C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000316792038 271020605 /nfs/dbraw/zinc/02/06/05/271020605.db2.gz REUAQTUDOYKXEN-MEJMFZKBSA-N -1 0 305.330 1.411 50 0 DDAARM CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268880390 280314261 /nfs/dbraw/zinc/31/42/61/280314261.db2.gz CUJMLPADMOAOQV-XUJVJEKNSA-N -1 0 319.357 1.992 50 0 DDAARM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000095970472 298494847 /nfs/dbraw/zinc/49/48/47/298494847.db2.gz GBUJOSVKZBRJJK-NEPJUHHUSA-N -1 0 304.346 1.219 50 0 DDAARM CC(=O)c1ccc(OCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000078307636 483967564 /nfs/dbraw/zinc/96/75/64/483967564.db2.gz CIUJKDTYQYSFEU-UHFFFAOYSA-N -1 0 305.330 1.782 50 0 DDAARM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccnn1C ZINC000663140199 484698369 /nfs/dbraw/zinc/69/83/69/484698369.db2.gz BIRVYRCUIALGJS-ZBEGNZNMSA-N -1 0 301.346 1.640 50 0 DDAARM CO[C@H](C)CS(=O)(=O)Nc1cc(C)cc(F)c1C(=O)[O-] ZINC000663266883 484774020 /nfs/dbraw/zinc/77/40/20/484774020.db2.gz OIQAMSLKLFCUDI-MRVPVSSYSA-N -1 0 305.327 1.609 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000299744952 534498786 /nfs/dbraw/zinc/49/87/86/534498786.db2.gz QGIYFXBROWPVLF-OAHLLOKOSA-N -1 0 319.357 1.934 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC000299742947 534519606 /nfs/dbraw/zinc/51/96/06/534519606.db2.gz KYPKBZBATRXLFU-GFCCVEGCSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1ccnc(N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC000067473432 696361732 /nfs/dbraw/zinc/36/17/32/696361732.db2.gz AZFGWWVFTZOOTF-LBPRGKRZSA-N -1 0 301.350 1.596 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1F ZINC000321410448 698727363 /nfs/dbraw/zinc/72/73/63/698727363.db2.gz MMUNBQMTMACKSY-FHMRSRPSSA-N -1 0 323.320 1.550 50 0 DDAARM O=C([O-])[C@]12C[C@H]1CCCN2S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000926607618 715096035 /nfs/dbraw/zinc/09/60/35/715096035.db2.gz CXUJMCBMKZICFY-CJNGLKHVSA-N -1 0 321.398 1.803 50 0 DDAARM C[C@H](c1ccncc1)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000095495811 185374199 /nfs/dbraw/zinc/37/41/99/185374199.db2.gz IZTDDJXWSQKAAY-IXHMRHTESA-N -1 0 300.314 1.009 50 0 DDAARM CC(C)n1cc(C(=O)N(C)[C@H](C(=O)[O-])c2cccnc2)cn1 ZINC000095517727 185376943 /nfs/dbraw/zinc/37/69/43/185376943.db2.gz PNJPOSAEZZHOQK-ZDUSSCGKSA-N -1 0 302.334 1.757 50 0 DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000315026670 231137728 /nfs/dbraw/zinc/13/77/28/231137728.db2.gz WICOKUICFXVURQ-WXPVXBESSA-N -1 0 305.330 1.728 50 0 DDAARM C[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000095471356 185372601 /nfs/dbraw/zinc/37/26/01/185372601.db2.gz WPEAKTAHSBZMQO-ZJUUUORDSA-N -1 0 300.355 1.223 50 0 DDAARM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263270384 282475208 /nfs/dbraw/zinc/47/52/08/282475208.db2.gz LWWUNWZVORBUIK-QWHCGFSZSA-N -1 0 321.377 1.841 50 0 DDAARM Cc1nc(C(F)(F)F)nc(N2CCC(O)(C(=O)[O-])CC2)c1C ZINC000071754042 191023280 /nfs/dbraw/zinc/02/32/80/191023280.db2.gz NIQKTSHRBCAJQK-UHFFFAOYSA-N -1 0 319.283 1.528 50 0 DDAARM CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000002983230 352110541 /nfs/dbraw/zinc/11/05/41/352110541.db2.gz XFTSMQGDJZQTIB-CABCVRRESA-N -1 0 320.389 1.349 50 0 DDAARM CC(C)(C)c1cc(CN2CCc3nc[nH]c3[C@H]2C(=O)[O-])[nH]n1 ZINC000072423432 191158098 /nfs/dbraw/zinc/15/80/98/191158098.db2.gz HREGSGSWPRSVTD-ZDUSSCGKSA-N -1 0 303.366 1.614 50 0 DDAARM COc1cccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000002518287 180931271 /nfs/dbraw/zinc/93/12/71/180931271.db2.gz YWXAADJDDXPSLZ-NEPJUHHUSA-N -1 0 311.334 1.707 50 0 DDAARM COCCN1[C@H](C)CN(C(=O)c2c([O-])cccc2F)C[C@@H]1C ZINC000130626097 354095107 /nfs/dbraw/zinc/09/51/07/354095107.db2.gz HZLKKIQJRSDZPB-TXEJJXNPSA-N -1 0 310.369 1.713 50 0 DDAARM O=C([O-])c1cn([C@H]2CCCCO2)nc1I ZINC000218465531 354313449 /nfs/dbraw/zinc/31/34/49/354313449.db2.gz BKPIZSKNOJQQDA-SSDOTTSWSA-N -1 0 322.102 1.885 50 0 DDAARM Cc1cc(OC[C@@H](O)CN(C)S(=O)(=O)[O-])ccc1Cl ZINC000004713449 181141159 /nfs/dbraw/zinc/14/11/59/181141159.db2.gz GYLSKXLZOIFOKQ-VIFPVBQESA-N -1 0 309.771 1.123 50 0 DDAARM Cc1ccc(C(=O)NC[C@H]2C[C@@H](C(=O)[O-])C[C@H]2O)cc1Cl ZINC000585134685 354811976 /nfs/dbraw/zinc/81/19/76/354811976.db2.gz GIIBFWAENAUXES-NQBHXWOUSA-N -1 0 311.765 1.850 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC000237656533 202319859 /nfs/dbraw/zinc/31/98/59/202319859.db2.gz HRDUEGVJOGLGRI-MRXNPFEDSA-N -1 0 300.314 1.465 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000238099112 202441783 /nfs/dbraw/zinc/44/17/83/202441783.db2.gz KMHJFEWSKFHENS-LBPRGKRZSA-N -1 0 302.330 1.360 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1CCCO1 ZINC000238209167 202449517 /nfs/dbraw/zinc/44/95/17/202449517.db2.gz UNLHOFVJBVXSJH-KGLIPLIRSA-N -1 0 320.320 1.598 50 0 DDAARM NC(=O)c1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000195090469 201338854 /nfs/dbraw/zinc/33/88/54/201338854.db2.gz ROXMKAKDUHVTJC-LLVKDONJSA-N -1 0 304.346 1.503 50 0 DDAARM COC(=O)[C@@H]1C([O-])=C(C(=O)CC[C@H]2CCCO2)C(=O)CC1(C)C ZINC000247865045 291302418 /nfs/dbraw/zinc/30/24/18/291302418.db2.gz XGEULGNSRGWTSS-SWHYSGLUSA-N -1 0 324.373 1.488 50 0 DDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000006700207 181373054 /nfs/dbraw/zinc/37/30/54/181373054.db2.gz HCKXLCHJLRGSIH-UHFFFAOYSA-N -1 0 309.347 1.316 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Cl)cc2F)CCO1 ZINC000091292872 193033016 /nfs/dbraw/zinc/03/30/16/193033016.db2.gz UIWSJLLYTDMWEU-SECBINFHSA-N -1 0 301.701 1.795 50 0 DDAARM CCC[C@@H]1CN(C(=O)CCc2csc(N)n2)C[C@H]1C(=O)[O-] ZINC000091665028 193087574 /nfs/dbraw/zinc/08/75/74/193087574.db2.gz FTNQVIKYZCJWBJ-MWLCHTKSSA-N -1 0 311.407 1.617 50 0 DDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000091635693 193082883 /nfs/dbraw/zinc/08/28/83/193082883.db2.gz UAIINNMRZQUHHN-MRXNPFEDSA-N -1 0 307.394 1.846 50 0 DDAARM Cc1cc(C)n(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000261826794 203128629 /nfs/dbraw/zinc/12/86/29/203128629.db2.gz BDMCBJWPHQBMMN-GFCCVEGCSA-N -1 0 319.283 1.366 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCCCO1 ZINC000176827048 304151754 /nfs/dbraw/zinc/15/17/54/304151754.db2.gz UEWCKXSPYNQQKE-CABCVRRESA-N -1 0 303.358 1.984 50 0 DDAARM COc1ccccc1-c1nc(CC(=O)NCC(=O)[O-])cs1 ZINC000020726196 182244535 /nfs/dbraw/zinc/24/45/35/182244535.db2.gz ZIJRBKGAABTPGB-UHFFFAOYSA-N -1 0 306.343 1.562 50 0 DDAARM Cc1cccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)[n-]c2=O)c1 ZINC000041606013 183209368 /nfs/dbraw/zinc/20/93/68/183209368.db2.gz PFCXZRMMHPNAGD-MRVPVSSYSA-N -1 0 306.347 1.298 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000268921630 207090032 /nfs/dbraw/zinc/09/00/32/207090032.db2.gz SUIOFQCBMLWELO-ZIAGYGMSSA-N -1 0 316.357 1.146 50 0 DDAARM COc1ccccc1NC(=O)[C@@H](Cc1cccnc1)c1nnn[n-]1 ZINC000057523550 184041132 /nfs/dbraw/zinc/04/11/32/184041132.db2.gz IDUXZWRVYFWETG-LBPRGKRZSA-N -1 0 324.344 1.568 50 0 DDAARM CCOc1ccc(/C=C/C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000269030677 207179848 /nfs/dbraw/zinc/17/98/48/207179848.db2.gz MMWJAEIGXLXACX-SBJJXXPASA-N -1 0 319.357 1.801 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000269046344 207195439 /nfs/dbraw/zinc/19/54/39/207195439.db2.gz STSMJOHEONJNCR-DPQIITEBSA-N -1 0 307.321 1.931 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 ZINC000269182993 207302897 /nfs/dbraw/zinc/30/28/97/207302897.db2.gz LRQUNGBKQKEFBZ-GFCCVEGCSA-N -1 0 313.313 1.816 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(CCC(=O)NC3CC3)cc2)C1 ZINC000065508274 184356583 /nfs/dbraw/zinc/35/65/83/184356583.db2.gz HACUBXQNEHRWKQ-LBPRGKRZSA-N -1 0 316.357 1.335 50 0 DDAARM CC(C)[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccccc1 ZINC000065622615 184374858 /nfs/dbraw/zinc/37/48/58/184374858.db2.gz QTUVDUKJUXUHOP-MRXNPFEDSA-N -1 0 301.346 1.050 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)n(C)n1 ZINC000066247917 184398961 /nfs/dbraw/zinc/39/89/61/184398961.db2.gz HJXLSUHHUPZPBW-UHFFFAOYSA-N -1 0 320.378 1.119 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F ZINC000314894586 257236898 /nfs/dbraw/zinc/23/68/98/257236898.db2.gz BSSBOQSONIDXMV-LQPUYASZSA-N -1 0 309.293 1.160 50 0 DDAARM O=C([O-])c1nn(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 ZINC000040165640 304284805 /nfs/dbraw/zinc/28/48/05/304284805.db2.gz BXBIVTVLEKHQAY-UHFFFAOYSA-N -1 0 306.281 1.960 50 0 DDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000276484 406637291 /nfs/dbraw/zinc/63/72/91/406637291.db2.gz BNKUFAPLNXFUTK-NWDGAFQWSA-N -1 0 305.330 1.923 50 0 DDAARM Nc1nonc1-n1nnc(C(=O)[O-])c1-c1cccc2ccccc21 ZINC000000480390 406651454 /nfs/dbraw/zinc/65/14/54/406651454.db2.gz QDBYDVBENWOGEX-UHFFFAOYSA-N -1 0 322.284 1.751 50 0 DDAARM CCOc1ccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)cc1 ZINC000000295191 406640683 /nfs/dbraw/zinc/64/06/83/406640683.db2.gz QLJQVISKFYAQIK-NSHDSACASA-N -1 0 309.343 1.535 50 0 DDAARM CC(=O)N1CCCc2cc(S(=O)(=O)CCC(=O)[O-])ccc21 ZINC000006948300 406745769 /nfs/dbraw/zinc/74/57/69/406745769.db2.gz JAUUVTJOORGREX-UHFFFAOYSA-N -1 0 311.359 1.234 50 0 DDAARM CCOc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1OCC ZINC000008016628 406774758 /nfs/dbraw/zinc/77/47/58/406774758.db2.gz OIGCGAAYKKTIRH-GFCCVEGCSA-N -1 0 307.346 1.917 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000071285013 406835672 /nfs/dbraw/zinc/83/56/72/406835672.db2.gz XDLOQOWVSCXQGP-UHFFFAOYSA-N -1 0 310.273 1.008 50 0 DDAARM COC[C@@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013034886 406858203 /nfs/dbraw/zinc/85/82/03/406858203.db2.gz HNRBWSINQAXPFQ-MRVPVSSYSA-N -1 0 301.726 1.568 50 0 DDAARM COc1cc(C=C2SC(=O)NC2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000013881570 406868525 /nfs/dbraw/zinc/86/85/25/406868525.db2.gz MCFXTTYFLPQGOE-KSRYWAHESA-N -1 0 323.326 1.871 50 0 DDAARM CSc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000014138982 406870821 /nfs/dbraw/zinc/87/08/21/406870821.db2.gz KAKTWTNMANCKIB-WKEGUHRASA-N -1 0 303.767 1.626 50 0 DDAARM COc1ccc(OC)c(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c1 ZINC000027229280 406909533 /nfs/dbraw/zinc/90/95/33/406909533.db2.gz KYHORNNRNRLTHM-IZZDOVSWSA-N -1 0 323.326 1.825 50 0 DDAARM CN(Cc1c[nH]nc1C(=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000071755435 406842208 /nfs/dbraw/zinc/84/22/08/406842208.db2.gz NYSAJSZSASDUNS-NSHDSACASA-N -1 0 303.318 1.380 50 0 DDAARM Cc1nn(CC(F)F)c2c1c(C(F)F)cc(=O)n2CC(=O)[O-] ZINC000012396365 406844478 /nfs/dbraw/zinc/84/44/78/406844478.db2.gz DQKBABQJDAURMU-UHFFFAOYSA-N -1 0 321.230 1.794 50 0 DDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCOc3ccccc32)c1 ZINC000030581817 406933801 /nfs/dbraw/zinc/93/38/01/406933801.db2.gz JHRNSSLCEKQNNW-UHFFFAOYSA-N -1 0 319.338 1.973 50 0 DDAARM O=C([O-])/C=C\C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000033312488 406960908 /nfs/dbraw/zinc/96/09/08/406960908.db2.gz BZJMZJJFXJCNBL-WAYWQWQTSA-N -1 0 309.749 1.791 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000033451372 406961464 /nfs/dbraw/zinc/96/14/64/406961464.db2.gz SQFHPTZAPYMMNU-WMADIVHISA-N -1 0 305.330 1.793 50 0 DDAARM C[C@@H]1S[C@@]2([N-]c3ncnn3C1=O)C(=O)Nc1ccccc12 ZINC000038538206 407000305 /nfs/dbraw/zinc/00/03/05/407000305.db2.gz CTXZEQMRYMJXEH-WPPNPWJKSA-N -1 0 301.331 1.271 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2OC)cc1 ZINC000048326515 407094580 /nfs/dbraw/zinc/09/45/80/407094580.db2.gz PCIWSPRWEVQGET-UHFFFAOYSA-N -1 0 322.342 1.678 50 0 DDAARM CN(Cc1cnccn1)[C@@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000095361774 407209266 /nfs/dbraw/zinc/20/92/66/407209266.db2.gz QWDYKUHSCVZYCR-CQSZACIVSA-N -1 0 301.302 1.463 50 0 DDAARM Cc1cc(Cl)cc([N-]S(=O)(=O)c2cn(C)cn2)c1O ZINC000095961688 407217853 /nfs/dbraw/zinc/21/78/53/407217853.db2.gz PKABJYRRAFLUCR-UHFFFAOYSA-N -1 0 301.755 1.888 50 0 DDAARM CCO[N-]C(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1 ZINC000057894181 407218210 /nfs/dbraw/zinc/21/82/10/407218210.db2.gz MGCKQXKRXCLWFB-ZDUSSCGKSA-N -1 0 305.334 1.252 50 0 DDAARM O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000095970332 407218479 /nfs/dbraw/zinc/21/84/79/407218479.db2.gz YACLWKPZOAWDGX-MELADBBJSA-N -1 0 313.394 1.722 50 0 DDAARM O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000095970335 407218884 /nfs/dbraw/zinc/21/88/84/407218884.db2.gz YACLWKPZOAWDGX-MJBXVCDLSA-N -1 0 313.394 1.722 50 0 DDAARM Cc1[n-]n(C)c(=O)c1CC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000095978577 407219970 /nfs/dbraw/zinc/21/99/70/407219970.db2.gz DZIOKCIWVPJNRQ-ZFWWWQNUSA-N -1 0 317.364 1.996 50 0 DDAARM Cc1ocnc1C(=O)NC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000097036039 407275757 /nfs/dbraw/zinc/27/57/57/407275757.db2.gz ZTYLGRJGFRMNAK-CYBMUJFWSA-N -1 0 302.330 1.965 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)c1 ZINC000097053619 407276594 /nfs/dbraw/zinc/27/65/94/407276594.db2.gz OALUNNQDXIBYEK-UHFFFAOYSA-N -1 0 313.383 1.945 50 0 DDAARM Cc1nc(CNC(=O)CSc2nnc(C)c(=O)[n-]2)cs1 ZINC000067673058 407279676 /nfs/dbraw/zinc/27/96/76/407279676.db2.gz QHJWEJXISZSOJL-UHFFFAOYSA-N -1 0 311.392 1.059 50 0 DDAARM CCOC(=O)c1ccc(Nc2n[n-]c3nnc(C)c(=O)n23)cc1 ZINC000101230709 407309243 /nfs/dbraw/zinc/30/92/43/407309243.db2.gz YEYHQOCSVSRIRU-UHFFFAOYSA-N -1 0 314.305 1.041 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)n1 ZINC000124180758 407351037 /nfs/dbraw/zinc/35/10/37/407351037.db2.gz SDDVXHJNJQXOBE-SNVBAGLBSA-N -1 0 322.317 1.600 50 0 DDAARM Cc1ccccc1C1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC1 ZINC000124765585 407369561 /nfs/dbraw/zinc/36/95/61/407369561.db2.gz ZTQIZNHPQXQECC-ZDUSSCGKSA-N -1 0 303.358 1.729 50 0 DDAARM O=S(=O)(CCCc1nc(-c2ccccc2)no1)c1ncc[n-]1 ZINC000195579517 407470847 /nfs/dbraw/zinc/47/08/47/407470847.db2.gz WDINXRWMCNUWTI-UHFFFAOYSA-N -1 0 318.358 1.866 50 0 DDAARM C[C@H](c1ccncc1)N(C)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC000216354541 407494113 /nfs/dbraw/zinc/49/41/13/407494113.db2.gz WMOCTWDJESQAEX-GFCCVEGCSA-N -1 0 315.377 1.585 50 0 DDAARM Cc1c(F)cccc1S(=O)(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000170598982 407448661 /nfs/dbraw/zinc/44/86/61/407448661.db2.gz QHXFKIMCBCSSJL-QMMMGPOBSA-N -1 0 313.358 1.071 50 0 DDAARM CNc1[n-]n2c(nc(C)cc2=O)c1S(=O)(=O)c1ccccc1 ZINC000253496419 407456595 /nfs/dbraw/zinc/45/65/95/407456595.db2.gz CPHREIWWKXBTGE-UHFFFAOYSA-N -1 0 318.358 1.618 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000262380070 407817020 /nfs/dbraw/zinc/81/70/20/407817020.db2.gz IFADTAMQAYJSPC-XQQFMLRXSA-N -1 0 302.330 1.019 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000237959942 407857909 /nfs/dbraw/zinc/85/79/09/407857909.db2.gz KACVMALTEWTTRM-VIFPVBQESA-N -1 0 318.251 1.569 50 0 DDAARM CC(C)Oc1cccc(C(=O)NCc2nc(C(=O)[O-])cs2)n1 ZINC000262738228 407912003 /nfs/dbraw/zinc/91/20/03/407912003.db2.gz GAPUTOMAUYDGJX-UHFFFAOYSA-N -1 0 321.358 1.954 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2csc(-c3ccoc3)n2)CCO1 ZINC000238124910 407893978 /nfs/dbraw/zinc/89/39/78/407893978.db2.gz YWEWUMOBTULALE-LLVKDONJSA-N -1 0 322.342 1.258 50 0 DDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc2c3c(cccc31)CC2 ZINC000242581659 407915445 /nfs/dbraw/zinc/91/54/45/407915445.db2.gz OAUYXEBLHKBXCW-UHFFFAOYSA-N -1 0 305.355 1.789 50 0 DDAARM CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1C ZINC000262814035 407944312 /nfs/dbraw/zinc/94/43/12/407944312.db2.gz PKENMQIWLOABAY-BXUZGUMPSA-N -1 0 322.361 1.444 50 0 DDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000263098258 408023820 /nfs/dbraw/zinc/02/38/20/408023820.db2.gz QXGLDOUPEMWIOH-NEPJUHHUSA-N -1 0 309.366 1.342 50 0 DDAARM CCC[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)[O-] ZINC000263109190 408026244 /nfs/dbraw/zinc/02/62/44/408026244.db2.gz DIWAIQPDAUOXER-QMMMGPOBSA-N -1 0 319.404 1.382 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000263163958 408043045 /nfs/dbraw/zinc/04/30/45/408043045.db2.gz YFJFZSBDNPPKJB-QGZVFWFLSA-N -1 0 303.358 1.739 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)O1 ZINC000119356029 408050151 /nfs/dbraw/zinc/05/01/51/408050151.db2.gz NIMXJQSGEUNBHM-GMSGAONNSA-N -1 0 304.755 1.107 50 0 DDAARM Cn1cc(-c2ncc(C(=O)N3CCCC[C@H]3C(=O)[O-])s2)cn1 ZINC000136524986 408110841 /nfs/dbraw/zinc/11/08/41/408110841.db2.gz KKUJAHBAMQYASU-JTQLQIEISA-N -1 0 320.374 1.623 50 0 DDAARM COc1ccc(-c2ccnc(NC[C@](C)(O)C(=O)[O-])n2)cc1 ZINC000263545360 408170562 /nfs/dbraw/zinc/17/05/62/408170562.db2.gz GNQZWXDIPOPTJP-HNNXBMFYSA-N -1 0 303.318 1.400 50 0 DDAARM Cn1nccc1CCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000190475920 408253787 /nfs/dbraw/zinc/25/37/87/408253787.db2.gz YTZRJVUXDPJCPC-AWEZNQCLSA-N -1 0 301.346 1.685 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCNC(=O)C2CCCCC2)C1 ZINC000165494886 408810622 /nfs/dbraw/zinc/81/06/22/408810622.db2.gz DRWSUWCFLLLSET-ZDUSSCGKSA-N -1 0 310.394 1.396 50 0 DDAARM CN(CCC(=O)[O-])C(=O)CCCN1C(=O)CCc2ccccc21 ZINC000299753079 410603877 /nfs/dbraw/zinc/60/38/77/410603877.db2.gz WSQIIPSYKCWURZ-UHFFFAOYSA-N -1 0 318.373 1.679 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1c1cn[nH]n1 ZINC000299793094 410630304 /nfs/dbraw/zinc/63/03/04/410630304.db2.gz IYZPOYYYUHDLMZ-IONNQARKSA-N -1 0 323.740 1.117 50 0 DDAARM O=c1c2ccccc2[n-]c(=S)n1C[C@@H]1CCS(=O)(=O)C1 ZINC000044993355 418436503 /nfs/dbraw/zinc/43/65/03/418436503.db2.gz AQZHKZHSANJVSB-VIFPVBQESA-N -1 0 310.400 1.494 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2csc(-c3ccoc3)n2)CCO1 ZINC000263066278 222302437 /nfs/dbraw/zinc/30/24/37/222302437.db2.gz YWEWUMOBTULALE-NSHDSACASA-N -1 0 322.342 1.258 50 0 DDAARM CSCC[C@H](NC(=O)c1ccc2[nH]c(C)nc2c1)C(=O)[O-] ZINC000426396624 419456952 /nfs/dbraw/zinc/45/69/52/419456952.db2.gz NJUNFZOTJNAMKW-NSHDSACASA-N -1 0 307.375 1.807 50 0 DDAARM C[C@](NC(=O)c1ccc2c(c1)NC(=O)CS2)(C(=O)[O-])C1CC1 ZINC000299745476 229386283 /nfs/dbraw/zinc/38/62/83/229386283.db2.gz ZMDQESIZHYMAAE-OAHLLOKOSA-N -1 0 320.370 1.714 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)[C@@H](C)O1 ZINC000630161977 421927923 /nfs/dbraw/zinc/92/79/23/421927923.db2.gz WKIOLBBWXAWAKI-LALPHHSUSA-N -1 0 321.373 1.922 50 0 DDAARM COc1cccc(C[C@H](NC(=O)c2cc(C)ncn2)C(=O)[O-])c1 ZINC000630244095 421985303 /nfs/dbraw/zinc/98/53/03/421985303.db2.gz PGIDELDEOMYDBC-AWEZNQCLSA-N -1 0 315.329 1.219 50 0 DDAARM C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)O1 ZINC000579127798 422712792 /nfs/dbraw/zinc/71/27/92/422712792.db2.gz BEDUWSRKBHBPOB-GYSYKLTISA-N -1 0 307.346 1.693 50 0 DDAARM CCOc1ccccc1/C=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000321585670 271027199 /nfs/dbraw/zinc/02/71/99/271027199.db2.gz JSXSBUUEMZASTR-DANTVBBOSA-N -1 0 319.357 1.801 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)CC1 ZINC000390822236 278394812 /nfs/dbraw/zinc/39/48/12/278394812.db2.gz ZEGMJZKGUPCLQP-JTQLQIEISA-N -1 0 310.354 1.938 50 0 DDAARM COc1ccc(C(N)=O)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071288045 295102384 /nfs/dbraw/zinc/10/23/84/295102384.db2.gz WYCDMNNQVICBOG-MNOVXSKESA-N -1 0 306.318 1.089 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000237648353 297881714 /nfs/dbraw/zinc/88/17/14/297881714.db2.gz LZWAVEZRVFYJQN-BDJLRTHQSA-N -1 0 302.330 1.436 50 0 DDAARM NC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1OCC(=O)[O-] ZINC000222844101 303299981 /nfs/dbraw/zinc/29/99/81/303299981.db2.gz MBVXDBHEAFAUJV-NSHDSACASA-N -1 0 312.753 1.253 50 0 DDAARM CCc1nnc(CN(C)Cc2nc(=O)c3sccc3[n-]2)o1 ZINC000131656032 337383145 /nfs/dbraw/zinc/38/31/45/337383145.db2.gz GZXCGBDNQNJZGV-UHFFFAOYSA-N -1 0 305.363 1.562 50 0 DDAARM O=C([O-])CN(C(=O)[C@@H]1COc2ccccc21)C1CCOCC1 ZINC000299752821 534499065 /nfs/dbraw/zinc/49/90/65/534499065.db2.gz VPGFRZFLYSHFBG-CYBMUJFWSA-N -1 0 305.330 1.255 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CCO1 ZINC000299749750 534504324 /nfs/dbraw/zinc/50/43/24/534504324.db2.gz LJSQGSKJVTWHTJ-OAHLLOKOSA-N -1 0 319.357 1.791 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 ZINC000299749021 534524270 /nfs/dbraw/zinc/52/42/70/534524270.db2.gz IXOZNIGPVOBVKD-KBPBESRZSA-N -1 0 305.330 1.003 50 0 DDAARM CC(C)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])nn1C(C)(C)C ZINC000299747442 528021928 /nfs/dbraw/zinc/02/19/28/528021928.db2.gz DAGZCUKHGBDQNT-ZDUSSCGKSA-N -1 0 323.393 1.687 50 0 DDAARM CCOc1ccc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])[nH]c2c1 ZINC000299748105 528622820 /nfs/dbraw/zinc/62/28/20/528622820.db2.gz GAVWJPHTBUJIGR-AWEZNQCLSA-N -1 0 318.329 1.492 50 0 DDAARM CC(C)[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299743811 529086117 /nfs/dbraw/zinc/08/61/17/529086117.db2.gz MJQGMAWVRPBFKO-YPMHNXCESA-N -1 0 322.386 1.715 50 0 DDAARM Cc1ccc2c(c1)/C(=C1\SC(=O)N(CC(=O)[O-])C1=O)C(=O)N2 ZINC000002688944 696005712 /nfs/dbraw/zinc/00/57/12/696005712.db2.gz JGWRVRMLRRXGPE-ZHACJKMWSA-N -1 0 318.310 1.438 50 0 DDAARM C/C=C/C=C\C(=O)OCC(=O)[N-]C(=O)c1ccccc1OC ZINC000097655701 696605944 /nfs/dbraw/zinc/60/59/44/696605944.db2.gz RHGCZQDZOJFCFC-STMOGGTPSA-N -1 0 303.314 1.627 50 0 DDAARM CC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000857560651 704604243 /nfs/dbraw/zinc/60/42/43/704604243.db2.gz GHFMTEQQMMDAFS-RQJHMYQMSA-N -1 0 306.206 1.607 50 0 DDAARM COc1ccc(CNCc2noc(C3CC3)n2)cc1C(=O)[O-] ZINC000952967537 721529078 /nfs/dbraw/zinc/52/90/78/721529078.db2.gz AWURISDTXLAOKA-UHFFFAOYSA-N -1 0 303.318 1.944 50 0 DDAARM Cc1cc(C)c(S(=O)(=O)[N-]c2n[nH]c3ncnn23)c(C)c1 ZINC000585129265 771961337 /nfs/dbraw/zinc/96/13/37/771961337.db2.gz DDWGRYUPYFVVAI-UHFFFAOYSA-N -1 0 306.351 1.178 50 0 DDAARM CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000585131298 771964326 /nfs/dbraw/zinc/96/43/26/771964326.db2.gz RARVRPFRMXAXCT-CABCVRRESA-N -1 0 322.361 1.014 50 0 DDAARM CC(C)Cc1cc(C(=O)NCC2(C(=O)[O-])CCCC2)n(C)n1 ZINC000095521375 185377485 /nfs/dbraw/zinc/37/74/85/185377485.db2.gz AJWOAYPQPDQDLM-UHFFFAOYSA-N -1 0 307.394 1.993 50 0 DDAARM CN(CCC(=O)[O-])S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000088772336 185265037 /nfs/dbraw/zinc/26/50/37/185265037.db2.gz NJGPNIZJVASAQR-UHFFFAOYSA-N -1 0 318.439 1.684 50 0 DDAARM COc1ccc(N2C[C@H](C(=O)NC(C)(C)C(=O)[O-])CC2=O)cc1 ZINC000096999745 185395810 /nfs/dbraw/zinc/39/58/10/185395810.db2.gz NWBRITYGVGLIII-SNVBAGLBSA-N -1 0 320.345 1.028 50 0 DDAARM O=C([O-])[C@@H](NC(=O)Cn1ncc2ccccc21)c1ccccc1 ZINC000097017997 185397788 /nfs/dbraw/zinc/39/77/88/185397788.db2.gz XJWOGYUQNHKTBZ-INIZCTEOSA-N -1 0 309.325 1.978 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)N[C@@H]2CCc3ccccc32)c1 ZINC000095470256 185372625 /nfs/dbraw/zinc/37/26/25/185372625.db2.gz RZVOGXXHLHTGIK-CQSZACIVSA-N -1 0 312.325 1.350 50 0 DDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000226087193 201766180 /nfs/dbraw/zinc/76/61/80/201766180.db2.gz UXCMWBDHDMBUNV-UHFFFAOYSA-N -1 0 301.320 1.046 50 0 DDAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)Nc1ccccc1Cl ZINC000000115500 352108893 /nfs/dbraw/zinc/10/88/93/352108893.db2.gz DSPKFHAUMQXHBK-UHFFFAOYSA-N -1 0 312.738 1.255 50 0 DDAARM C[C@@H](CN(C)C(=O)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000237415758 295880964 /nfs/dbraw/zinc/88/09/64/295880964.db2.gz UZRHMZDFQGAWPX-NSHDSACASA-N -1 0 304.346 1.606 50 0 DDAARM Cc1nnc(S[C@H](C)C(=O)NCc2ccccc2)[n-]c1=O ZINC000004911694 181172512 /nfs/dbraw/zinc/17/25/12/181172512.db2.gz RPHFQQHTEMNSBI-SNVBAGLBSA-N -1 0 304.375 1.683 50 0 DDAARM COCCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000005016025 181191190 /nfs/dbraw/zinc/19/11/90/181191190.db2.gz NFGBPSRGWYWWAD-SNVBAGLBSA-N -1 0 324.358 1.036 50 0 DDAARM CN(CC(=O)[O-])C(=O)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000237133308 202162098 /nfs/dbraw/zinc/16/20/98/202162098.db2.gz GWINQYYZSKUODK-UHFFFAOYSA-N -1 0 311.765 1.931 50 0 DDAARM O=C([O-])CN(CC(=O)N1CCc2sccc2C1)CC1CC1 ZINC000036885776 304065776 /nfs/dbraw/zinc/06/57/76/304065776.db2.gz HRTNOZUYQXAPSC-UHFFFAOYSA-N -1 0 308.403 1.429 50 0 DDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000192893633 200958131 /nfs/dbraw/zinc/95/81/31/200958131.db2.gz IDLIUQSEMXAPSY-CYBMUJFWSA-N -1 0 304.346 1.212 50 0 DDAARM Cc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)n(C)n1 ZINC000193086559 200990012 /nfs/dbraw/zinc/99/00/12/200990012.db2.gz CVWRIOKAGMDIGT-MRXNPFEDSA-N -1 0 301.346 1.501 50 0 DDAARM CCCn1nccc1C(=O)N1CCC[C@](CCOC)(C(=O)[O-])C1 ZINC000091746645 193100901 /nfs/dbraw/zinc/10/09/01/193100901.db2.gz POFSGFKWELWXHD-MRXNPFEDSA-N -1 0 323.393 1.637 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cccnc2)C1 ZINC000092037192 193144586 /nfs/dbraw/zinc/14/45/86/193144586.db2.gz FVNKHOGTCALKCV-MRXNPFEDSA-N -1 0 306.362 1.354 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000088373498 304135791 /nfs/dbraw/zinc/13/57/91/304135791.db2.gz IMFSPJDYWIBFPC-JTQLQIEISA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(F)cc2cccnc21 ZINC000262757358 304135475 /nfs/dbraw/zinc/13/54/75/304135475.db2.gz JXBIBOUNTRXZNC-LBPRGKRZSA-N -1 0 304.277 1.300 50 0 DDAARM CC[C@H](C(=O)NCCc1nc(C(=O)[O-])cs1)n1cccn1 ZINC000220276662 201572601 /nfs/dbraw/zinc/57/26/01/201572601.db2.gz ADZQUFPJBXSAQW-SNVBAGLBSA-N -1 0 308.363 1.348 50 0 DDAARM C[C@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000262197233 203226840 /nfs/dbraw/zinc/22/68/40/203226840.db2.gz ZOXLRLGPRVMTQI-SSDOTTSWSA-N -1 0 321.301 1.133 50 0 DDAARM O=C([O-])C1(C(=O)NC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000262287429 203249732 /nfs/dbraw/zinc/24/97/32/203249732.db2.gz XWOCEFDIPOTGJK-UHFFFAOYSA-N -1 0 316.357 1.272 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000263324826 203456089 /nfs/dbraw/zinc/45/60/89/203456089.db2.gz SKDJRHXOASQRTQ-LLVKDONJSA-N -1 0 304.346 1.354 50 0 DDAARM Cc1nn(C)c(C)c1[C@@H](CC(=O)[O-])c1c(O)cc(C)[nH]c1=O ZINC000095476911 193445246 /nfs/dbraw/zinc/44/52/46/193445246.db2.gz IEHOQDZMWAVJRZ-SNVBAGLBSA-N -1 0 305.334 1.346 50 0 DDAARM C[C@H](C(=O)[O-])S(=O)(=O)Cc1cccc(Br)c1 ZINC000019474407 182124238 /nfs/dbraw/zinc/12/42/38/182124238.db2.gz YVZBJAQYFZPKSF-SSDOTTSWSA-N -1 0 307.165 1.837 50 0 DDAARM O=C1NC(c2ccccc2)=N[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000019873628 182159112 /nfs/dbraw/zinc/15/91/12/182159112.db2.gz MGKKUTXOZHCUTN-CYBMUJFWSA-N -1 0 321.262 1.724 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000238066496 304184818 /nfs/dbraw/zinc/18/48/18/304184818.db2.gz AILOSVSSSGKQCD-TZMCWYRMSA-N -1 0 316.357 1.653 50 0 DDAARM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3c(C)n[nH]c3C)cc12 ZINC000024376417 182379219 /nfs/dbraw/zinc/37/92/19/182379219.db2.gz GMIGRKYQSWGFNI-UHFFFAOYSA-N -1 0 320.378 1.417 50 0 DDAARM COc1ccc(CC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1F ZINC000043508882 183368065 /nfs/dbraw/zinc/36/80/65/183368065.db2.gz BUYBIFOPVRBZCQ-AWEZNQCLSA-N -1 0 313.350 1.453 50 0 DDAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000268939238 207103654 /nfs/dbraw/zinc/10/36/54/207103654.db2.gz IVUWMTKIFANNFN-XROYCOCOSA-N -1 0 319.292 1.774 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000268944009 207107585 /nfs/dbraw/zinc/10/75/85/207107585.db2.gz GGZKSKOXJDQOJZ-OAHLLOKOSA-N -1 0 321.373 1.718 50 0 DDAARM CC(=O)c1cc2c(cc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)OCO2 ZINC000062001818 184201429 /nfs/dbraw/zinc/20/14/29/184201429.db2.gz WHRMSMCHROEEOW-QWHCGFSZSA-N -1 0 319.313 1.913 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000062912710 184259246 /nfs/dbraw/zinc/25/92/46/184259246.db2.gz DCZRPZPOWLHLQY-CQSZACIVSA-N -1 0 311.359 1.027 50 0 DDAARM COc1ccc(CN2CC[C@@H]2C(=O)[O-])cc1Cn1cccn1 ZINC000244678429 256604654 /nfs/dbraw/zinc/60/46/54/256604654.db2.gz ICJLQDOLSIMJEL-CQSZACIVSA-N -1 0 301.346 1.599 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cnc(-c3cccs3)s2)CCO1 ZINC000238131165 257237976 /nfs/dbraw/zinc/23/79/76/257237976.db2.gz MQVUBDVLVDHLPB-MRVPVSSYSA-N -1 0 324.383 1.797 50 0 DDAARM Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3[n-]c(C)cc3n2)on1 ZINC000334159637 257261662 /nfs/dbraw/zinc/26/16/62/257261662.db2.gz XEVVXXSLKPCYHM-ZDUSSCGKSA-N -1 0 313.361 1.965 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])C2 ZINC000299745872 533284746 /nfs/dbraw/zinc/28/47/46/533284746.db2.gz TTYHUNLCKNYUQM-DGCLKSJQSA-N -1 0 305.330 1.322 50 0 DDAARM Cc1[nH]nc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)c1CC(C)C ZINC000328590542 533672582 /nfs/dbraw/zinc/67/25/82/533672582.db2.gz ZBZJGSOJGGSBST-JTQLQIEISA-N -1 0 316.427 1.135 50 0 DDAARM Cc1ccc(Cl)cc1N1N[C@H](O[C@H](C)C(=O)[O-])C=CC1=O ZINC000032918624 134684299 /nfs/dbraw/zinc/68/42/99/134684299.db2.gz OEMVQYZSTAUHOE-BXKDBHETSA-N -1 0 310.737 1.872 50 0 DDAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2ccccn2)CC1 ZINC000000152838 406626949 /nfs/dbraw/zinc/62/69/49/406626949.db2.gz YCEVDGUXNFHQEJ-UHFFFAOYSA-N -1 0 305.378 1.621 50 0 DDAARM COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c1 ZINC000000182811 406628209 /nfs/dbraw/zinc/62/82/09/406628209.db2.gz NKMFTDDYOPMJGL-UHFFFAOYSA-N -1 0 321.354 1.975 50 0 DDAARM Cc1cc(OCC(=O)NCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000000489644 406653180 /nfs/dbraw/zinc/65/31/80/406653180.db2.gz SLXGCWXVDUAKSV-UHFFFAOYSA-N -1 0 319.313 1.298 50 0 biogenic DDAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000000379248 406642910 /nfs/dbraw/zinc/64/29/10/406642910.db2.gz RZEAXDAPFVNKTH-UHFFFAOYSA-N -1 0 321.354 1.975 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC000008135452 406779818 /nfs/dbraw/zinc/77/98/18/406779818.db2.gz DQJNAXKZLKNIPP-LLVKDONJSA-N -1 0 303.318 1.152 50 0 DDAARM Cc1nc2cc(Cl)ccc2c(=O)n1[N-]C(=O)c1cnccn1 ZINC000008389673 406784692 /nfs/dbraw/zinc/78/46/92/406784692.db2.gz FDVGGGKZSCZYTM-UHFFFAOYSA-N -1 0 315.720 1.532 50 0 DDAARM COc1cc2[n-]c(O)c(C(=O)NC3CC3)c(=O)c2cc1OC ZINC000008994563 406799576 /nfs/dbraw/zinc/79/95/76/406799576.db2.gz ZRLDAUQWGMGZNY-UHFFFAOYSA-N -1 0 304.302 1.143 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000071282945 406835912 /nfs/dbraw/zinc/83/59/12/406835912.db2.gz IIPLLTFRYQHRGG-OLZOCXBDSA-N -1 0 314.345 1.622 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000071286306 406837985 /nfs/dbraw/zinc/83/79/85/406837985.db2.gz HTLGGZBODHPFSC-RYUDHWBXSA-N -1 0 304.302 1.962 50 0 DDAARM O=C(NC1CC1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628113 406849951 /nfs/dbraw/zinc/84/99/51/406849951.db2.gz UNKNEOGVDULAJS-UHFFFAOYSA-N -1 0 323.399 1.836 50 0 DDAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ncccn3n2)c1 ZINC000073840489 406896102 /nfs/dbraw/zinc/89/61/02/406896102.db2.gz YPAPRAGUUMLWEA-UHFFFAOYSA-N -1 0 303.347 1.542 50 0 DDAARM CC(=O)NC(=C([O-])c1cccs1)S(=O)(=O)c1ccccc1 ZINC000027015416 406907834 /nfs/dbraw/zinc/90/78/34/406907834.db2.gz IZXCLNNBEPWDMC-CQSZACIVSA-N -1 0 323.395 1.867 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(N)=O)c2)no1 ZINC000033359678 406960771 /nfs/dbraw/zinc/96/07/71/406960771.db2.gz AIVLDJGRNXPFPS-UHFFFAOYSA-N -1 0 315.738 1.536 50 0 DDAARM COc1[n-]c(OC)c(OC)c(=O)c1I ZINC000078494402 407031060 /nfs/dbraw/zinc/03/10/60/407031060.db2.gz LPTOQUNCESDUOB-UHFFFAOYSA-N -1 0 311.075 1.418 50 0 DDAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000078556730 407034176 /nfs/dbraw/zinc/03/41/76/407034176.db2.gz HLPKPGHEWKIDNU-UHFFFAOYSA-N -1 0 309.395 1.462 50 0 DDAARM O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@H]1CCn1cccn1 ZINC000077379273 406988103 /nfs/dbraw/zinc/98/81/03/406988103.db2.gz XVBJHSLJTJMFIB-ZDUSSCGKSA-N -1 0 318.377 1.981 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)N(CC(=O)[O-])c1ccccc1 ZINC000037591992 406991313 /nfs/dbraw/zinc/99/13/13/406991313.db2.gz GMMDJKCZDFJWIT-UHFFFAOYSA-N -1 0 310.331 1.571 50 0 DDAARM Cc1ccc(-c2cc([N-]S(=O)(=O)c3cn(C)cn3)n[nH]2)s1 ZINC000086171156 407109876 /nfs/dbraw/zinc/10/98/76/407109876.db2.gz NFTZLDJECAQYRT-UHFFFAOYSA-N -1 0 323.403 1.981 50 0 DDAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000089774493 407147998 /nfs/dbraw/zinc/14/79/98/407147998.db2.gz LKWYYGZTNAAOGT-CQSZACIVSA-N -1 0 316.357 1.260 50 0 DDAARM CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000096319611 407259214 /nfs/dbraw/zinc/25/92/14/407259214.db2.gz PIEHJDCVSKBGAS-UHFFFAOYSA-N -1 0 323.374 1.706 50 0 DDAARM CCCN(Cc1cccnc1)Cc1cnc(NCC(=O)[O-])nc1 ZINC000055393536 407203061 /nfs/dbraw/zinc/20/30/61/407203061.db2.gz OQTBJHXTIIKJOA-UHFFFAOYSA-N -1 0 315.377 1.780 50 0 DDAARM CSc1ccc([C@H](C(=O)[O-])N2CCN(C(C)=O)CC2)cc1 ZINC000095355407 407208125 /nfs/dbraw/zinc/20/81/25/407208125.db2.gz NKSQIWYZSTZZKR-CQSZACIVSA-N -1 0 308.403 1.698 50 0 DDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1ccc(Cl)cn1)CC2 ZINC000095354376 407208420 /nfs/dbraw/zinc/20/84/20/407208420.db2.gz QMBJXGXQCCYWAG-NSHDSACASA-N -1 0 323.780 1.637 50 0 DDAARM Cc1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)oc2c1C(=O)CCC2 ZINC000095425493 407213197 /nfs/dbraw/zinc/21/31/97/407213197.db2.gz PXBWRJVHUTXOSN-SNVBAGLBSA-N -1 0 321.329 1.423 50 0 DDAARM CCOc1ccc2c(c1)C=C(C(=O)NC[C@@H](C)C(=O)[O-])CO2 ZINC000095970619 407218413 /nfs/dbraw/zinc/21/84/13/407218413.db2.gz XSZRWJVZNLHKBR-SNVBAGLBSA-N -1 0 305.330 1.698 50 0 DDAARM COc1ccc(OC)c(C(=O)N(CC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000095970202 407218636 /nfs/dbraw/zinc/21/86/36/407218636.db2.gz BAUQOLFTMMROIA-GFCCVEGCSA-N -1 0 323.345 1.410 50 0 DDAARM CC(C)Cc1noc(-c2nc3c([n-]2)CC(C)(C)CNC3=O)n1 ZINC000065403293 407243196 /nfs/dbraw/zinc/24/31/96/407243196.db2.gz BPYUPCBZPKIANR-UHFFFAOYSA-N -1 0 303.366 1.970 50 0 DDAARM Cc1c(F)cccc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000096433465 407265976 /nfs/dbraw/zinc/26/59/76/407265976.db2.gz YIHXEGBKVIXBNA-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM Cc1cc(C)n([N-]C(=O)c2scc3c2OCCO3)c(=O)c1 ZINC000067790150 407284055 /nfs/dbraw/zinc/28/40/55/407284055.db2.gz RNIHERLXRQNNJK-UHFFFAOYSA-N -1 0 306.343 1.682 50 0 DDAARM C[C@@H](Nc1ncnc2c1Cc1ccccc1OC2)c1n[nH]c(=O)[n-]1 ZINC000097642616 407300854 /nfs/dbraw/zinc/30/08/54/407300854.db2.gz UAYSFFHDIDSKBU-SECBINFHSA-N -1 0 324.344 1.544 50 0 DDAARM CN(CCn1ccc2ccccc21)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000097785129 407302874 /nfs/dbraw/zinc/30/28/74/407302874.db2.gz URYPLLSKONPZQW-UHFFFAOYSA-N -1 0 312.329 1.835 50 0 DDAARM C[C@@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)n1cccn1 ZINC000111240105 407402692 /nfs/dbraw/zinc/40/26/92/407402692.db2.gz VMBWJYDTQURSRV-GZMMTYOYSA-N -1 0 305.256 1.310 50 0 DDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1nc(C)c(Cl)c1C ZINC000195544292 407465660 /nfs/dbraw/zinc/46/56/60/407465660.db2.gz NEXNGICMLAGYRQ-MRVPVSSYSA-N -1 0 301.774 1.865 50 0 DDAARM O=C([O-])c1nc[nH]c1C(=O)NC[C@H]1CCc2ccccc2O1 ZINC000215390938 407485264 /nfs/dbraw/zinc/48/52/64/407485264.db2.gz IZGKKAOSGPIHTH-SNVBAGLBSA-N -1 0 301.302 1.232 50 0 DDAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1ccc2[nH]ccc2c1 ZINC000218246376 407514657 /nfs/dbraw/zinc/51/46/57/407514657.db2.gz ZJAHOYGRRATGEV-ZIAGYGMSSA-N -1 0 318.329 1.156 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cnc3ccnn3c2)cc1 ZINC000225575953 407596307 /nfs/dbraw/zinc/59/63/07/407596307.db2.gz VMJDIBAHODXXLL-UHFFFAOYSA-N -1 0 316.342 1.733 50 0 DDAARM CC1CCC(N2C[C@@H](C(=O)N(C)CCC(=O)[O-])CC2=O)CC1 ZINC000236666874 407744570 /nfs/dbraw/zinc/74/45/70/407744570.db2.gz BOHRHFAWMFZMBN-CPCZMJQVSA-N -1 0 310.394 1.347 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000237646225 407833097 /nfs/dbraw/zinc/83/30/97/407833097.db2.gz LZWAVEZRVFYJQN-BZNIZROVSA-N -1 0 302.330 1.436 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CCO1 ZINC000237962662 407856815 /nfs/dbraw/zinc/85/68/15/407856815.db2.gz BSEVBDLRVUGYSI-NSHDSACASA-N -1 0 317.263 1.560 50 0 DDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC000237987702 407863681 /nfs/dbraw/zinc/86/36/81/407863681.db2.gz GBGCGHMVCPQCOT-GFCCVEGCSA-N -1 0 306.366 1.401 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000237279781 292452466 /nfs/dbraw/zinc/45/24/66/292452466.db2.gz NIROUHKGCLCCOF-NXEZZACHSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CCO1 ZINC000262932061 407974875 /nfs/dbraw/zinc/97/48/75/407974875.db2.gz GLNWFZSHSQRLAG-WZRBSPASSA-N -1 0 311.284 1.380 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000263163955 408043279 /nfs/dbraw/zinc/04/32/79/408043279.db2.gz YFJFZSBDNPPKJB-KRWDZBQOSA-N -1 0 303.358 1.739 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2sc(C)cc2OC)C1 ZINC000263013818 408000968 /nfs/dbraw/zinc/00/09/68/408000968.db2.gz NHAFOENHEUKIOW-CQSZACIVSA-N -1 0 313.375 1.628 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)c2)no1 ZINC000136162365 408081898 /nfs/dbraw/zinc/08/18/98/408081898.db2.gz OXJGNEFGLICXJE-ZDUSSCGKSA-N -1 0 315.329 1.982 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000263276887 408087503 /nfs/dbraw/zinc/08/75/03/408087503.db2.gz YCNZYZSHKFNBAD-ZETCQYMHSA-N -1 0 301.295 1.666 50 0 DDAARM CN1C(=O)COc2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc21 ZINC000263360609 408119879 /nfs/dbraw/zinc/11/98/79/408119879.db2.gz YHAOOAIQASNAHG-ZJUUUORDSA-N -1 0 318.329 1.481 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000269042609 408225087 /nfs/dbraw/zinc/22/50/87/408225087.db2.gz RJNSINGTDXDDQE-WNMQOVRZSA-N -1 0 305.330 1.538 50 0 DDAARM C[C@@H](Cc1cccc(F)c1)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000183451527 408415506 /nfs/dbraw/zinc/41/55/06/408415506.db2.gz UETSCTBLCPHHKM-QWRGUYRKSA-N -1 0 305.357 1.780 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)nn1C ZINC000161522764 408613301 /nfs/dbraw/zinc/61/33/01/408613301.db2.gz SCCYMAUBQBFCKG-UHFFFAOYSA-N -1 0 309.347 1.156 50 0 DDAARM CC(C)[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000178262926 408795803 /nfs/dbraw/zinc/79/58/03/408795803.db2.gz VMUJQPIHXFKMFA-CRWXNKLISA-N -1 0 312.410 1.053 50 0 DDAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)CC1CCC1 ZINC000164835986 408804932 /nfs/dbraw/zinc/80/49/32/408804932.db2.gz MDTZETOFYGFPIH-OAHLLOKOSA-N -1 0 323.414 1.937 50 0 DDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1F ZINC000263457804 163969680 /nfs/dbraw/zinc/96/96/80/163969680.db2.gz BDQJEOBWDUKYQP-RKDXNWHRSA-N -1 0 319.329 1.839 50 0 DDAARM C[C@H](C(=O)Nc1ncn(CC(=O)[O-])n1)c1ccc(Cl)s1 ZINC000647782313 423046448 /nfs/dbraw/zinc/04/64/48/423046448.db2.gz GDZFEHDFSMYAKH-LURJTMIESA-N -1 0 314.754 1.820 50 0 DDAARM C[C@H](CC(=O)Nc1ncn(CC(=O)[O-])n1)c1ccc(F)cc1 ZINC000647782635 423047615 /nfs/dbraw/zinc/04/76/15/423047615.db2.gz VUMFKFHTZHXCNH-SECBINFHSA-N -1 0 306.297 1.634 50 0 DDAARM NC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CCCCC2 ZINC000102125464 418494598 /nfs/dbraw/zinc/49/45/98/418494598.db2.gz KHNRLCLSYMLTJQ-SREVYHEPSA-N -1 0 308.359 1.695 50 0 DDAARM C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)CCCO1 ZINC000120818408 418503917 /nfs/dbraw/zinc/50/39/17/418503917.db2.gz QJROVGSMAKCIFZ-GFCCVEGCSA-N -1 0 318.782 1.250 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263292705 222307311 /nfs/dbraw/zinc/30/73/11/222307311.db2.gz LUEWYXZEHFTSOU-CQSZACIVSA-N -1 0 307.394 1.774 50 0 DDAARM C[C@H]1CC[C@@H](CCC(=O)N(CCC(=O)[O-])C2CCOCC2)O1 ZINC000408513278 418805937 /nfs/dbraw/zinc/80/59/37/418805937.db2.gz KRGJNHUAAIHFMO-JSGCOSHPSA-N -1 0 313.394 1.816 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc3c(c2)OCCCO3)C1 ZINC000299741571 229376384 /nfs/dbraw/zinc/37/63/84/229376384.db2.gz GMKQGBRXXKJTNV-CYBMUJFWSA-N -1 0 319.357 1.714 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000299748613 229390864 /nfs/dbraw/zinc/39/08/64/229390864.db2.gz HROFJFQCHVGDSD-UONOGXRCSA-N -1 0 303.358 1.572 50 0 DDAARM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2conc2C)o1 ZINC000583651887 422210007 /nfs/dbraw/zinc/21/00/07/422210007.db2.gz UUSRJBOSFGDPKO-NSHDSACASA-N -1 0 314.363 1.804 50 0 DDAARM Cc1ccc2nc(C)c(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2c1 ZINC000299748236 301924583 /nfs/dbraw/zinc/92/45/83/301924583.db2.gz GNKGYTNBEHPQRM-HNNXBMFYSA-N -1 0 314.341 1.777 50 0 DDAARM Cc1ccn2c(c1)ncc(C(=O)N1CCCC[C@@H]1C(=O)[O-])c2=O ZINC000237861357 302259658 /nfs/dbraw/zinc/25/96/58/302259658.db2.gz QFXFVTPFCJVVRR-GFCCVEGCSA-N -1 0 315.329 1.082 50 0 DDAARM C[C@@H](Oc1ccccc1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000516945650 302802484 /nfs/dbraw/zinc/80/24/84/302802484.db2.gz JFZPGCWITYQEQT-GFCCVEGCSA-N -1 0 307.346 1.546 50 0 DDAARM O=C([O-])[C@H]1CCCCCC[C@H]1NS(=O)(=O)N1CCCC1 ZINC000547933291 303561571 /nfs/dbraw/zinc/56/15/71/303561571.db2.gz SEHSQFUMMWGJHC-NWDGAFQWSA-N -1 0 304.412 1.340 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2nccn2C)c1 ZINC000534669600 334319730 /nfs/dbraw/zinc/31/97/30/334319730.db2.gz NKBSFMICEVVQSL-UHFFFAOYSA-N -1 0 303.318 1.399 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000262061021 484261375 /nfs/dbraw/zinc/26/13/75/484261375.db2.gz HDWOJZSCEQGVPD-NRUUGDAUSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cc1cscn1 ZINC000663149787 484706044 /nfs/dbraw/zinc/70/60/44/484706044.db2.gz ZFPHUJIHBCROSW-CQSZACIVSA-N -1 0 302.355 1.896 50 0 DDAARM Cc1c2cc(Cl)ccc2[nH]c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000670450507 484837263 /nfs/dbraw/zinc/83/72/63/484837263.db2.gz MPVQITOWAKPIHY-UHFFFAOYSA-N -1 0 305.725 1.883 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2ncccc2N2CCOCC2)o1 ZINC000671152184 484960324 /nfs/dbraw/zinc/96/03/24/484960324.db2.gz YJBLYOKCAMHPEC-UHFFFAOYSA-N -1 0 323.374 1.620 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)COCc1ccccc1Cl ZINC000299747013 534539083 /nfs/dbraw/zinc/53/90/83/534539083.db2.gz BVGBFHJISXAGFC-GFCCVEGCSA-N -1 0 313.737 1.169 50 0 DDAARM Cc1cccc([C@@H](CC(=O)N2CC[C@H](C(=O)[O-])C2)NC(N)=O)c1 ZINC000299743347 534758643 /nfs/dbraw/zinc/75/86/43/534758643.db2.gz NHLVGAPOEUNQTM-QWHCGFSZSA-N -1 0 319.361 1.028 50 0 DDAARM CC(C)(CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000299753799 527158207 /nfs/dbraw/zinc/15/82/07/527158207.db2.gz ZKDANMHVKOQVBN-RYUDHWBXSA-N -1 0 319.357 1.572 50 0 DDAARM COc1ccccc1/C(C)=C\C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000606441055 599939229 /nfs/dbraw/zinc/93/92/29/599939229.db2.gz BKYYNZOMEUFTAQ-FPAJZGIOSA-N -1 0 305.330 1.411 50 0 DDAARM O=C([O-])C1(S(=O)(=O)N[C@H]2CCc3ccc(F)cc32)CCC1 ZINC000864095843 706066272 /nfs/dbraw/zinc/06/62/72/706066272.db2.gz HNQHEVOGXQXMEK-LBPRGKRZSA-N -1 0 313.350 1.740 50 0 DDAARM CCCS(=O)(=O)N1CCC(c2ncc(C(=O)[O-])o2)CC1 ZINC000952878724 775629319 /nfs/dbraw/zinc/62/93/19/775629319.db2.gz DDZXBSKODPEBKH-UHFFFAOYSA-N -1 0 302.352 1.292 50 0 DDAARM CC(C)Cc1cc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])on1 ZINC000095500083 185374797 /nfs/dbraw/zinc/37/47/97/185374797.db2.gz QRIOIFFFANCJJX-GFCCVEGCSA-N -1 0 318.333 1.248 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCc1ccc(Cl)s1 ZINC000095428053 185361993 /nfs/dbraw/zinc/36/19/93/185361993.db2.gz SGKQHVRIHINYPO-VIFPVBQESA-N -1 0 302.783 1.567 50 0 DDAARM COC(=O)c1sc([N-]S(=O)(=O)c2cccnc2)nc1C ZINC000072275908 191096994 /nfs/dbraw/zinc/09/69/94/191096994.db2.gz BZUBSKJDXHULFF-UHFFFAOYSA-N -1 0 313.360 1.434 50 0 DDAARM O=C(NCCNC(=O)C1CC1)c1ccc2[n-]c(=S)oc2c1 ZINC000072813669 191233542 /nfs/dbraw/zinc/23/35/42/191233542.db2.gz QXYHHXZIUDOOGM-UHFFFAOYSA-N -1 0 305.359 1.746 50 0 DDAARM Cc1nc(SC(C(=O)[O-])=C2C(=O)Nc3ccccc32)n[nH]1 ZINC000001275400 180852513 /nfs/dbraw/zinc/85/25/13/180852513.db2.gz XPLCDVKIHKHMRQ-MDZDMXLPSA-N -1 0 302.315 1.653 50 0 DDAARM O=C([O-])C1=NC2=N[C@@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000033837948 304036352 /nfs/dbraw/zinc/03/63/52/304036352.db2.gz SINTYOCGLUYQQO-VDTYLAMSSA-N -1 0 318.280 1.783 50 0 DDAARM O=C(c1ccoc1)N1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000119404820 354005003 /nfs/dbraw/zinc/00/50/03/354005003.db2.gz ZUIFUHONQYAFCP-UHFFFAOYSA-N -1 0 318.304 1.723 50 0 DDAARM Cc1nc([C@@H](C)NC(=O)Cc2cc(=O)[nH][n-]c2=O)c(C)s1 ZINC000584885024 354788528 /nfs/dbraw/zinc/78/85/28/354788528.db2.gz VEGHQMZBQOGNHT-ZCFIWIBFSA-N -1 0 308.363 1.381 50 0 DDAARM CC(=O)N/C(=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)[O-] ZINC000005045450 181196558 /nfs/dbraw/zinc/19/65/58/181196558.db2.gz AAJVHBSGWUAGPJ-SDQBBNPISA-N -1 0 321.285 1.099 50 0 in-vitro DDAARM O=C([O-])C[S@@](=O)CC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000005248696 181220942 /nfs/dbraw/zinc/22/09/42/181220942.db2.gz WRFWJTMQFIJZBL-LJQANCHMSA-N -1 0 324.185 1.443 50 0 DDAARM CCCc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)[nH]n1 ZINC000236895759 202057971 /nfs/dbraw/zinc/05/79/71/202057971.db2.gz MXPFDFVXQZXSJG-UHFFFAOYSA-N -1 0 309.366 1.458 50 0 DDAARM O=C([O-])CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000020209606 304073168 /nfs/dbraw/zinc/07/31/68/304073168.db2.gz CLZMJCQSDUEKAE-UHFFFAOYSA-N -1 0 302.315 1.698 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cc2ccccc2cc1O ZINC000220398914 304078410 /nfs/dbraw/zinc/07/84/10/304078410.db2.gz OMLPHSLPFBVQNN-CYBMUJFWSA-N -1 0 315.325 1.861 50 0 DDAARM O=C([O-])C[C@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013427803 304081975 /nfs/dbraw/zinc/08/19/75/304081975.db2.gz RSHBXJXLXWZSDR-AWEZNQCLSA-N -1 0 324.340 1.764 50 0 DDAARM C[C@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)[O-] ZINC000237567350 202286661 /nfs/dbraw/zinc/28/66/61/202286661.db2.gz NRXOJFGGTSBSKP-JTQLQIEISA-N -1 0 311.765 1.978 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000237661857 202321639 /nfs/dbraw/zinc/32/16/39/202321639.db2.gz ANSFUEZCVLBCJL-CQSZACIVSA-N -1 0 318.358 1.537 50 0 DDAARM Cc1cc2ccccc2n1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237812040 202360755 /nfs/dbraw/zinc/36/07/55/202360755.db2.gz IIDSSNVGCISCNO-CQSZACIVSA-N -1 0 316.357 1.652 50 0 DDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc2cccnc21 ZINC000002929268 304115082 /nfs/dbraw/zinc/11/50/82/304115082.db2.gz AFQOHCPIHVZWGB-NSHDSACASA-N -1 0 306.343 1.473 50 0 DDAARM COc1ccccc1[N-]S(=O)(=O)c1csc(C(N)=O)c1 ZINC000006659111 181366606 /nfs/dbraw/zinc/36/66/06/181366606.db2.gz HNAFRJQLAZTJLQ-UHFFFAOYSA-N -1 0 312.372 1.656 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC)o2)C1 ZINC000091624684 193080949 /nfs/dbraw/zinc/08/09/49/193080949.db2.gz RQQVZLONWJAIKN-OAHLLOKOSA-N -1 0 311.334 1.632 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)noc2C)C1 ZINC000091906905 193125294 /nfs/dbraw/zinc/12/52/94/193125294.db2.gz TWQDVIKTZMRMFX-MRXNPFEDSA-N -1 0 324.377 1.564 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCO1 ZINC000299750449 304132010 /nfs/dbraw/zinc/13/20/10/304132010.db2.gz NKWRNCRCMVTTAM-STQMWFEESA-N -1 0 307.371 1.329 50 0 DDAARM CSCC[C@H](NC(=O)CCc1cc(Cl)no1)C(=O)[O-] ZINC000218193002 201533770 /nfs/dbraw/zinc/53/37/70/201533770.db2.gz JSNTXMQPYTZKPC-QMMMGPOBSA-N -1 0 306.771 1.583 50 0 DDAARM COc1cccc(OCC(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000221260166 201584841 /nfs/dbraw/zinc/58/48/41/201584841.db2.gz IBBBSAZPQNSDTI-GFCCVEGCSA-N -1 0 307.346 1.930 50 0 DDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262097748 203198231 /nfs/dbraw/zinc/19/82/31/203198231.db2.gz IOAZFZSUBLBGQH-MFKMUULPSA-N -1 0 311.309 1.295 50 0 DDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(OC)ccc1Cl ZINC000262390441 203282200 /nfs/dbraw/zinc/28/22/00/203282200.db2.gz ILFZFXPCQMULLW-UHFFFAOYSA-N -1 0 321.782 1.834 50 0 DDAARM O=C([O-])[C@H]1CC12CCN(C(=O)Cn1ncc3ccccc31)CC2 ZINC000262485208 203306982 /nfs/dbraw/zinc/30/69/82/203306982.db2.gz VIQLNONBZKDWLI-CYBMUJFWSA-N -1 0 313.357 1.750 50 0 DDAARM CCOc1ncc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1Cl ZINC000263225687 203446623 /nfs/dbraw/zinc/44/66/23/203446623.db2.gz APIIYOQDFSWBBT-SNVBAGLBSA-N -1 0 314.725 1.059 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 ZINC000011691471 181699318 /nfs/dbraw/zinc/69/93/18/181699318.db2.gz WNEBHTSECDZNTM-UHFFFAOYSA-N -1 0 305.355 1.906 50 0 DDAARM O=C([O-])c1ccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)cc1 ZINC000016899434 182062387 /nfs/dbraw/zinc/06/23/87/182062387.db2.gz WORSZTGWTREWEA-JTQLQIEISA-N -1 0 319.342 1.027 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000268953199 304178994 /nfs/dbraw/zinc/17/89/94/304178994.db2.gz UXWYDTLJXQHTNI-LLVKDONJSA-N -1 0 304.302 1.097 50 0 DDAARM COc1ccc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC000020326330 182207537 /nfs/dbraw/zinc/20/75/37/182207537.db2.gz QQANQGULSYHQQS-SNVBAGLBSA-N -1 0 303.318 1.467 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)Cc1noc2ccccc21 ZINC000262400949 304180488 /nfs/dbraw/zinc/18/04/88/304180488.db2.gz KAQSUONNQVSINI-GFCCVEGCSA-N -1 0 324.358 1.597 50 0 DDAARM Cc1cc(NC(=O)c2nn(C)cc2C(=O)[O-])n(CC(F)F)n1 ZINC000020616226 182239618 /nfs/dbraw/zinc/23/96/18/182239618.db2.gz FDYDFUYNAXIOKT-UHFFFAOYSA-N -1 0 313.264 1.141 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000022157742 182311046 /nfs/dbraw/zinc/31/10/46/182311046.db2.gz HKIVHEJJCHODMO-ZETCQYMHSA-N -1 0 301.140 1.714 50 0 DDAARM CSc1nn2c([n-]1)nc(CSc1ncccn1)cc2=O ZINC000100071794 193794275 /nfs/dbraw/zinc/79/42/75/193794275.db2.gz FOWBSFVRPIRZSV-UHFFFAOYSA-N -1 0 306.376 1.222 50 0 DDAARM CCOc1c(OC)cccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347896 193811330 /nfs/dbraw/zinc/81/13/30/193811330.db2.gz CQBWBZNGXMIVAH-LLVKDONJSA-N -1 0 316.317 1.669 50 0 DDAARM O=C([O-])CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000039595694 183021117 /nfs/dbraw/zinc/02/11/17/183021117.db2.gz ISTMZIFNQQCIIZ-UHFFFAOYSA-N -1 0 310.309 1.567 50 0 DDAARM CC(=O)c1cccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000041670390 183214720 /nfs/dbraw/zinc/21/47/20/183214720.db2.gz UKRXJPFOLSJVJM-UHFFFAOYSA-N -1 0 314.297 1.388 50 0 DDAARM Cc1cc(Cl)ccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043701445 183382146 /nfs/dbraw/zinc/38/21/46/183382146.db2.gz JGMLXEFJHFXELN-GFCCVEGCSA-N -1 0 313.737 1.339 50 0 DDAARM Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1C(=O)[O-] ZINC000048382991 183654601 /nfs/dbraw/zinc/65/46/01/183654601.db2.gz NZZYBPPWVAUCQT-UHFFFAOYSA-N -1 0 322.342 1.193 50 0 DDAARM CC(C)[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268880386 207051509 /nfs/dbraw/zinc/05/15/09/207051509.db2.gz CUJMLPADMOAOQV-HUBLWGQQSA-N -1 0 319.357 1.992 50 0 DDAARM COc1cc(F)c([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000268932036 207097051 /nfs/dbraw/zinc/09/70/51/207097051.db2.gz ZABSTEVSFXVRRJ-UJNFCWOMSA-N -1 0 311.309 1.741 50 0 DDAARM Cc1ccccc1NC(=O)[C@H](Cc1cccnc1)c1nnn[n-]1 ZINC000057523466 184040979 /nfs/dbraw/zinc/04/09/79/184040979.db2.gz WJAVMGKRKYTENE-CYBMUJFWSA-N -1 0 308.345 1.868 50 0 DDAARM COc1ccnc(-n2cc(C(=O)c3cc(F)ccc3[O-])cn2)n1 ZINC000058308008 184103688 /nfs/dbraw/zinc/10/36/88/184103688.db2.gz GZOKYROYNZHWOE-UHFFFAOYSA-N -1 0 314.276 1.747 50 0 DDAARM O=C([O-])c1ccc(Cn2nnn(-c3cccs3)c2=O)cc1 ZINC000058324489 184105136 /nfs/dbraw/zinc/10/51/36/184105136.db2.gz CJNSJDJGKDYLLS-UHFFFAOYSA-N -1 0 302.315 1.237 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2OCC2CC2)CCO1 ZINC000269037997 207187291 /nfs/dbraw/zinc/18/72/91/207187291.db2.gz PEEODTBECXGUGG-CYBMUJFWSA-N -1 0 319.357 1.791 50 0 DDAARM CCn1cc(C(=O)[O-])c(S(=O)(=O)N2CCCCCC2)n1 ZINC000065240421 184317416 /nfs/dbraw/zinc/31/74/16/184317416.db2.gz OWVCCCMJUUQJCA-UHFFFAOYSA-N -1 0 301.368 1.166 50 0 DDAARM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)[C@@H]1C(=O)[O-] ZINC000332659001 296381686 /nfs/dbraw/zinc/38/16/86/296381686.db2.gz WKKHYRKSAUTRCH-YGRLFVJLSA-N -1 0 301.346 1.899 50 0 DDAARM COc1ccc([C@H](C)CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000299745719 533150461 /nfs/dbraw/zinc/15/04/61/533150461.db2.gz SCWDULAITJXTHG-BXUZGUMPSA-N -1 0 307.346 1.501 50 0 DDAARM O=C(CCCC1C(=O)NC(=S)N=C1[O-])c1ccc(F)cc1 ZINC000000361685 257234312 /nfs/dbraw/zinc/23/43/12/257234312.db2.gz FCARVJIYUZBKFA-UHFFFAOYSA-N -1 0 308.334 1.326 50 0 DDAARM COC(=O)c1cn([C@@H]2CCC[C@@H](C(=O)[O-])C2)cc2c(=O)[nH]nc1-2 ZINC000524735107 257213605 /nfs/dbraw/zinc/21/36/05/257213605.db2.gz VVOMHAGITZOHII-RKDXNWHRSA-N -1 0 319.317 1.691 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000268981239 257257110 /nfs/dbraw/zinc/25/71/10/257257110.db2.gz NLWMYEWWLQFMRY-LOWVWBTDSA-N -1 0 311.284 1.380 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000328594923 533230776 /nfs/dbraw/zinc/23/07/76/533230776.db2.gz GCRYGZHDPIJEEQ-YVZNUBBCSA-N -1 0 321.329 1.029 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000124176761 195613126 /nfs/dbraw/zinc/61/31/26/195613126.db2.gz GRAJYMGYVFHHGN-LLVKDONJSA-N -1 0 322.317 1.600 50 0 DDAARM O=C([O-])c1nccnc1C(=O)N1CCc2c([nH]c3ccccc32)C1 ZINC000070666284 304284194 /nfs/dbraw/zinc/28/41/94/304284194.db2.gz GCQNXSSRIHIRLH-UHFFFAOYSA-N -1 0 322.324 1.855 50 0 DDAARM COCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000299285168 292178433 /nfs/dbraw/zinc/17/84/33/292178433.db2.gz ZCUFGIAKVBZONZ-LBPRGKRZSA-N -1 0 323.345 1.251 50 0 DDAARM Cc1c(NC(=O)CCCC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000152544 406626914 /nfs/dbraw/zinc/62/69/14/406626914.db2.gz GCHNYRFIDAUPAN-UHFFFAOYSA-N -1 0 317.345 1.678 50 0 DDAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000001307752 406664480 /nfs/dbraw/zinc/66/44/80/406664480.db2.gz ICKRKULKZOPPAW-UHFFFAOYSA-N -1 0 310.313 1.769 50 0 DDAARM CCC[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000002116098 406681339 /nfs/dbraw/zinc/68/13/39/406681339.db2.gz ONXVEHAZBASNDH-GFCCVEGCSA-N -1 0 319.313 1.541 50 0 DDAARM O=C([O-])c1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000002513402 406689556 /nfs/dbraw/zinc/68/95/56/406689556.db2.gz LUDTZVVHMSGXIC-UHFFFAOYSA-N -1 0 312.281 1.968 50 0 DDAARM COc1cc(CNC(=O)c2cc(C(=O)[O-])n(C)n2)cc(OC)c1 ZINC000002761671 406698142 /nfs/dbraw/zinc/69/81/42/406698142.db2.gz PSHGIKQUURLIEM-UHFFFAOYSA-N -1 0 319.317 1.066 50 0 DDAARM Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000069658452 406750876 /nfs/dbraw/zinc/75/08/76/406750876.db2.gz NBAONWWZTQVNCS-CQSZACIVSA-N -1 0 311.403 1.553 50 0 DDAARM Cn1nc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)ccc1=O ZINC000008329235 406785495 /nfs/dbraw/zinc/78/54/95/406785495.db2.gz UPKZNCRQQFANIA-UHFFFAOYSA-N -1 0 307.693 1.384 50 0 DDAARM CNc1[n-]n2c(nc(C)cc2=O)c1S(=O)(=O)c1ccccc1 ZINC000071289463 406837446 /nfs/dbraw/zinc/83/74/46/406837446.db2.gz JIJXHYLBRFGXIW-UHFFFAOYSA-N -1 0 318.358 1.206 50 0 DDAARM O=c1c2cn(Cc3cccnc3)c(=O)cc2[n-]n1-c1ccccc1 ZINC000015109403 406879570 /nfs/dbraw/zinc/87/95/70/406879570.db2.gz DVFGJJJVHBDYOC-UHFFFAOYSA-N -1 0 318.336 1.924 50 0 DDAARM O=C1COc2ccc([N-]S(=O)(=O)c3cccs3)cc2N1 ZINC000025694581 406900438 /nfs/dbraw/zinc/90/04/38/406900438.db2.gz IIXPSQRBOHWSKO-UHFFFAOYSA-N -1 0 310.356 1.880 50 0 DDAARM C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000035252765 406971139 /nfs/dbraw/zinc/97/11/39/406971139.db2.gz POGSEJALRIZFNH-SNVBAGLBSA-N -1 0 309.343 1.887 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC000033451398 406961556 /nfs/dbraw/zinc/96/15/56/406961556.db2.gz JZOPIRRCFNZKCY-GFCCVEGCSA-N -1 0 305.330 1.466 50 0 DDAARM CCOc1c(Cl)cc(C(=O)N[C@@H](C)C(=O)[O-])cc1OC ZINC000033450324 406962151 /nfs/dbraw/zinc/96/21/51/406962151.db2.gz BTYABEOAMJYVRE-ZETCQYMHSA-N -1 0 301.726 1.950 50 0 DDAARM CCn1cc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)[O-] ZINC000036863877 406984037 /nfs/dbraw/zinc/98/40/37/406984037.db2.gz PTENGFBIDHSNLQ-SNVBAGLBSA-N -1 0 300.380 1.769 50 0 DDAARM Cc1nc(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000037430632 406989929 /nfs/dbraw/zinc/98/99/29/406989929.db2.gz FIYGBFCFMCAOHL-CYBMUJFWSA-N -1 0 304.371 1.806 50 0 DDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588954 406992016 /nfs/dbraw/zinc/99/20/16/406992016.db2.gz VXKQFKIVROLOSR-UHFFFAOYSA-N -1 0 311.359 1.088 50 0 DDAARM CCOc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000089272139 407128395 /nfs/dbraw/zinc/12/83/95/407128395.db2.gz IXZLAZWJAAFNSX-GFCCVEGCSA-N -1 0 307.346 1.834 50 0 DDAARM Cc1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)cs1 ZINC000091270240 407182088 /nfs/dbraw/zinc/18/20/88/407182088.db2.gz XYZOSUBPLVBCES-GHMZBOCLSA-N -1 0 317.370 1.787 50 0 DDAARM O=C(/C=C\c1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000096291766 407258314 /nfs/dbraw/zinc/25/83/14/407258314.db2.gz NUZMFNTXZUTUOK-CFYYFVFUSA-N -1 0 309.387 1.715 50 0 DDAARM CC(C)[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)[O-] ZINC000096402423 407259690 /nfs/dbraw/zinc/25/96/90/407259690.db2.gz DLGWHNFHPXKXGV-AWEZNQCLSA-N -1 0 301.346 1.770 50 0 DDAARM CCC(=O)Nc1cccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c1 ZINC000055099918 407195375 /nfs/dbraw/zinc/19/53/75/407195375.db2.gz BDMBJWCEXRNALA-LBPRGKRZSA-N -1 0 324.402 1.971 50 0 DDAARM CCN(Cc1nccn1C)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055225010 407198570 /nfs/dbraw/zinc/19/85/70/407198570.db2.gz CQCWEQJZWGSQIO-UHFFFAOYSA-N -1 0 316.361 1.579 50 0 DDAARM C[C@@H](NC(=O)c1cnc(Nc2ccccc2)nc1)c1nnn[n-]1 ZINC000095364017 407209304 /nfs/dbraw/zinc/20/93/04/407209304.db2.gz VTTDRXKKMKSNCW-SECBINFHSA-N -1 0 310.321 1.224 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000095970717 407218897 /nfs/dbraw/zinc/21/88/97/407218897.db2.gz IXRRAWLKAZQTPM-ZDUSSCGKSA-N -1 0 311.765 1.975 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000097039280 407276098 /nfs/dbraw/zinc/27/60/98/407276098.db2.gz SLKRAXLAOJSCIE-HIFRSBDPSA-N -1 0 313.357 1.915 50 0 DDAARM CCOc1ccc(CN2CCOC[C@@H]2CC(=O)[O-])cc1CO ZINC000097823301 407302962 /nfs/dbraw/zinc/30/29/62/407302962.db2.gz GGFPEHLXECWXGQ-AWEZNQCLSA-N -1 0 309.362 1.253 50 0 DDAARM CN(CCC(=O)[O-])C(=O)CS(=O)(=O)c1ccc(Cl)cc1 ZINC000095425285 289582301 /nfs/dbraw/zinc/58/23/01/289582301.db2.gz VNJZKFQFOKEYPH-UHFFFAOYSA-N -1 0 319.766 1.047 50 0 DDAARM CCN(CC)c1ncc(Cl)c(C(=O)N[C@H](C)CC(=O)[O-])n1 ZINC000170672124 407471306 /nfs/dbraw/zinc/47/13/06/407471306.db2.gz GKHVYNTYXONWOD-MRVPVSSYSA-N -1 0 314.773 1.569 50 0 DDAARM CCOC([O-])=NC(=O)C(C#N)=NNc1ccc(C(=O)OC)cc1 ZINC000254413829 407463293 /nfs/dbraw/zinc/46/32/93/407463293.db2.gz BJJSSNVWSKIIPH-UHFFFAOYSA-N -1 0 318.289 1.037 50 0 DDAARM Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccccc2)c1C(N)=O ZINC000222213053 407554356 /nfs/dbraw/zinc/55/43/56/407554356.db2.gz MNYCRPHOPIEJNN-FPLPWBNLSA-N -1 0 306.347 1.230 50 0 DDAARM CCOc1ccccc1N(CCCC(=O)[O-])S(C)(=O)=O ZINC000113887358 407526655 /nfs/dbraw/zinc/52/66/55/407526655.db2.gz BUXJZWJJESXMIZ-UHFFFAOYSA-N -1 0 301.364 1.716 50 0 DDAARM CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1(C)C ZINC000152294187 407602555 /nfs/dbraw/zinc/60/25/55/407602555.db2.gz DSVMKEVGKJRIHJ-JQWIXIFHSA-N -1 0 309.391 1.520 50 0 DDAARM Cc1nc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)ccc1C#N ZINC000262018044 407714923 /nfs/dbraw/zinc/71/49/23/407714923.db2.gz XHLARMSSKWEHLB-LBPRGKRZSA-N -1 0 301.346 1.979 50 0 DDAARM CC(=O)N1CCC(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000262426672 407831500 /nfs/dbraw/zinc/83/15/00/407831500.db2.gz FMEWWGBANBTERT-KFWWJZLASA-N -1 0 322.405 1.489 50 0 DDAARM O=C([O-])C1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)CC1 ZINC000238023734 407873503 /nfs/dbraw/zinc/87/35/03/407873503.db2.gz UQONQAXVEDULMG-UHFFFAOYSA-N -1 0 313.357 1.738 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000238070716 407882969 /nfs/dbraw/zinc/88/29/69/407882969.db2.gz SVEUIJNBLHYCQN-AWEZNQCLSA-N -1 0 313.357 1.738 50 0 DDAARM COc1ccc(F)c(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1OC ZINC000262934682 407975595 /nfs/dbraw/zinc/97/55/95/407975595.db2.gz LNVXEZZTWWESED-SECBINFHSA-N -1 0 311.309 1.922 50 0 DDAARM C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000154119675 407977181 /nfs/dbraw/zinc/97/71/81/407977181.db2.gz UTJHFWWWOKXLDB-WCBMZHEXSA-N -1 0 308.359 1.338 50 0 DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc3ccoc32)C1 ZINC000263175403 408047916 /nfs/dbraw/zinc/04/79/16/408047916.db2.gz LCNJSJMLWOUWTO-NSHDSACASA-N -1 0 309.343 1.918 50 0 DDAARM Cc1nscc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262972226 407989308 /nfs/dbraw/zinc/98/93/08/407989308.db2.gz JZUJDKCWWRNUME-JTQLQIEISA-N -1 0 308.281 1.931 50 0 DDAARM C[C@@H](NC(=O)c1ccc(NC(=O)[C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000263031156 408006720 /nfs/dbraw/zinc/00/67/20/408006720.db2.gz VADKCFCYSJQTFA-PWSUYJOCSA-N -1 0 320.345 1.255 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000136113699 408075962 /nfs/dbraw/zinc/07/59/62/408075962.db2.gz ZLGOLTWBNQGSCE-GFCCVEGCSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1ccc(F)c(OCC(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000263307725 408101806 /nfs/dbraw/zinc/10/18/06/408101806.db2.gz OQOPNFVPEYHFCC-NSHDSACASA-N -1 0 311.309 1.215 50 0 DDAARM COc1ccc(C[C@@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000263516925 408162602 /nfs/dbraw/zinc/16/26/02/408162602.db2.gz FBXAHFUXDIDWME-YPMHNXCESA-N -1 0 321.373 1.958 50 0 DDAARM Cc1ccc(-n2cccn2)c(CN2CCOC[C@@H]2C(=O)[O-])c1 ZINC000252500118 408800362 /nfs/dbraw/zinc/80/03/62/408800362.db2.gz SNGMZMGXGGEXQY-OAHLLOKOSA-N -1 0 301.346 1.466 50 0 DDAARM COCCS(=O)(=O)Nc1cc2c(cc1C(=O)[O-])CCCC2 ZINC000282182013 409005710 /nfs/dbraw/zinc/00/57/10/409005710.db2.gz JPHXDVNIWAFPQV-UHFFFAOYSA-N -1 0 313.375 1.652 50 0 DDAARM CC(C)N(CC(=O)[O-])S(=O)(=O)c1cccc(N(C)C)c1 ZINC000261642160 163677444 /nfs/dbraw/zinc/67/74/44/163677444.db2.gz LCPYYCHWBJJZIK-UHFFFAOYSA-N -1 0 300.380 1.236 50 0 DDAARM Cc1cc(S(=O)(=O)N(C)c2cnn(C)c2)cc(C(=O)[O-])c1C ZINC000295224524 409386015 /nfs/dbraw/zinc/38/60/15/409386015.db2.gz RPKIORXYYCLPCX-UHFFFAOYSA-N -1 0 323.374 1.560 50 0 DDAARM O=C([O-])[C@H]1Cc2nc(NC(=O)c3cccnc3)sc2C(=O)C1 ZINC000299780192 410625193 /nfs/dbraw/zinc/62/51/93/410625193.db2.gz PFRWFLNFDDOUMR-QMMMGPOBSA-N -1 0 317.326 1.620 50 0 DDAARM CC(C)S(=O)(=O)[N-]C(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000049418119 418476539 /nfs/dbraw/zinc/47/65/39/418476539.db2.gz HRBJEWPUVUYGIB-SECBINFHSA-N -1 0 305.783 1.962 50 0 DDAARM Cn1c2ccccc2cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1=O ZINC000426661173 419528882 /nfs/dbraw/zinc/52/88/82/419528882.db2.gz DEWDWFGOPZUMFF-PHIMTYICSA-N -1 0 300.314 1.132 50 0 DDAARM Cc1c(C(=O)N[C@@H](C(=O)[O-])C(C)C)cccc1N1CCNC1=O ZINC000299741988 229376473 /nfs/dbraw/zinc/37/64/73/229376473.db2.gz AONLHBOAIKPZAV-CYBMUJFWSA-N -1 0 319.361 1.364 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 ZINC000299745224 229386273 /nfs/dbraw/zinc/38/62/73/229386273.db2.gz WVILPGRZJRFOHN-OLZOCXBDSA-N -1 0 319.357 1.791 50 0 DDAARM O=C(N=c1[n-]nc(C(F)(F)F)s1)c1noc2c1COCC2 ZINC000527598983 421421069 /nfs/dbraw/zinc/42/10/69/421421069.db2.gz WIFHMFFOYHFMPK-UHFFFAOYSA-N -1 0 320.252 1.292 50 0 DDAARM COc1cc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ncn1 ZINC000653541098 423519409 /nfs/dbraw/zinc/51/94/09/423519409.db2.gz DIALWOAVFHKKHV-LPEHRKFASA-N -1 0 322.365 1.742 50 0 DDAARM COc1ccc(C)cc1/C=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000321476510 271028008 /nfs/dbraw/zinc/02/80/08/271028008.db2.gz WREHYMYVXUUUHX-KXQLTZBTSA-N -1 0 319.357 1.719 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)CCO1 ZINC000322022031 271028335 /nfs/dbraw/zinc/02/83/35/271028335.db2.gz UMGUEVPHYYGRTJ-QQHVMHFCSA-N -1 0 319.313 1.131 50 0 DDAARM CC(C)(C)OC(=O)N1CCn2c(nc(C(=O)[O-])c2Cl)C1 ZINC000030678285 278414139 /nfs/dbraw/zinc/41/41/39/278414139.db2.gz DKAJUVQRVUHWJW-UHFFFAOYSA-N -1 0 301.730 1.985 50 0 DDAARM CC(C)CN1CC2(CC1=O)CCN(C(=O)c1cc(=O)[nH][n-]1)CC2 ZINC000091303907 278867354 /nfs/dbraw/zinc/86/73/54/278867354.db2.gz ZISFYPVSFCKFLS-UHFFFAOYSA-N -1 0 320.393 1.226 50 0 DDAARM COc1cn(-c2ccccc2)nc1C(=O)NCCCC(=O)[O-] ZINC000095348422 295431016 /nfs/dbraw/zinc/43/10/16/295431016.db2.gz LPCMKVPLIYZZCS-UHFFFAOYSA-N -1 0 303.318 1.476 50 0 DDAARM Cc1cc(CC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)no1 ZINC000195551029 301268880 /nfs/dbraw/zinc/26/88/80/301268880.db2.gz FCOVZYHOWSQFPP-ZDUSSCGKSA-N -1 0 306.293 1.997 50 0 DDAARM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1cnn(C)c1 ZINC000663140503 484699131 /nfs/dbraw/zinc/69/91/31/484699131.db2.gz DXOHGCBAPALFOS-MEDUHNTESA-N -1 0 301.346 1.640 50 0 DDAARM CCc1cc(C(=O)N[C@](C)(Cc2ccccc2)C(=O)[O-])[nH]n1 ZINC000170044816 545648052 /nfs/dbraw/zinc/64/80/52/545648052.db2.gz JAWRNRVSXLTAHI-MRXNPFEDSA-N -1 0 301.346 1.788 50 0 DDAARM O=C(NCC1CCN(c2cc(=O)[nH]cn2)CC1)c1ccoc1 ZINC000952969561 721529519 /nfs/dbraw/zinc/52/95/19/721529519.db2.gz FKLCUIOCGOVRHT-UHFFFAOYSA-N -1 0 302.334 1.422 50 0 DDAARM CC(C)(C)OC(=O)c1cc(NC(=O)CCc2ccncc2)[nH]n1 ZINC000585130685 771962988 /nfs/dbraw/zinc/96/29/88/771962988.db2.gz YZUQONARUSIYCT-UHFFFAOYSA-N -1 0 316.361 2.331 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)[C@H]2Cc3ccccc32)n1 ZINC000090983439 539174429 /nfs/dbraw/zinc/17/44/29/539174429.db2.gz RVYPWFSZLOYVFI-NSHDSACASA-N -1 0 302.355 1.840 50 0 DDAARM O=S(=O)([N-]CC(F)(F)F)N[C@@H]1CNc2ccccc2C1 ZINC000126838515 539182004 /nfs/dbraw/zinc/18/20/04/539182004.db2.gz VACAYWFLRFINNL-VIFPVBQESA-N -1 0 309.313 1.010 50 0 DDAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@H](C)n2cccn2)c1OC ZINC000262564698 539275733 /nfs/dbraw/zinc/27/57/33/539275733.db2.gz ZSBOXZQOUJZJNV-VIFPVBQESA-N -1 0 319.317 1.798 50 0 DDAARM COCc1ccsc1C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262723833 539275829 /nfs/dbraw/zinc/27/58/29/539275829.db2.gz FVEFVDIQEKFNJM-MWLCHTKSSA-N -1 0 313.375 1.504 50 0 DDAARM C[C@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cc[nH]c(=O)c1 ZINC000263121348 539275962 /nfs/dbraw/zinc/27/59/62/539275962.db2.gz CGYDYVCGYKGMSB-JFGNBEQYSA-N -1 0 307.350 1.600 50 0 DDAARM Cc1nc(-c2ccncc2)nc(NC[C@@](C)(O)C(=O)[O-])c1C ZINC000263546559 539276223 /nfs/dbraw/zinc/27/62/23/539276223.db2.gz HJIRGAFXBQWAPJ-OAHLLOKOSA-N -1 0 302.334 1.403 50 0 DDAARM Cn1cc(CCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cn1 ZINC000095463994 185371543 /nfs/dbraw/zinc/37/15/43/185371543.db2.gz RLMZWAFAKWOFJH-AWEZNQCLSA-N -1 0 319.336 1.304 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCNC(=O)Nc1ccccc1 ZINC000072400540 191150623 /nfs/dbraw/zinc/15/06/23/191150623.db2.gz UORPATOUVFRQBT-NEPJUHHUSA-N -1 0 319.361 1.281 50 0 DDAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1ccc2c(c1)CCC2 ZINC000072429267 191162470 /nfs/dbraw/zinc/16/24/70/191162470.db2.gz VCHSHYICKFYZRK-OAHLLOKOSA-N -1 0 311.341 1.723 50 0 DDAARM C/C(=C/C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)[O-] ZINC000000296730 180750821 /nfs/dbraw/zinc/75/08/21/180750821.db2.gz XEZZUCMBTVFONO-KTKRTIGZSA-N -1 0 315.329 1.454 50 0 DDAARM CC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000048547180 352542264 /nfs/dbraw/zinc/54/22/64/352542264.db2.gz GFHCNJQXUUGIFH-JQWIXIFHSA-N -1 0 308.334 1.281 50 0 DDAARM O=C(Cn1ccc2ccccc21)[N-]S(=O)(=O)Cc1ccon1 ZINC000076094728 353398383 /nfs/dbraw/zinc/39/83/83/353398383.db2.gz MKYBPVYINVKUQG-UHFFFAOYSA-N -1 0 319.342 1.276 50 0 DDAARM Nc1ncn(Cc2ccccc2)c2nc(SCC(=O)[O-])nc1-2 ZINC000004178551 181082519 /nfs/dbraw/zinc/08/25/19/181082519.db2.gz SAQKWFACCBDYQA-UHFFFAOYSA-N -1 0 315.358 1.585 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1cccc(Cl)c1)C1CCOCC1 ZINC000390835307 354642477 /nfs/dbraw/zinc/64/24/77/354642477.db2.gz KBNIKNAILFPVHT-UHFFFAOYSA-N -1 0 317.794 1.713 50 0 DDAARM COc1ccc(Cc2n[n-]c(Nc3cccnc3)nc2=O)cc1 ZINC000005154616 181211165 /nfs/dbraw/zinc/21/11/65/181211165.db2.gz OWMODQGUBZRFAS-UHFFFAOYSA-N -1 0 309.329 1.903 50 0 DDAARM NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCCC2 ZINC000005725621 181277290 /nfs/dbraw/zinc/27/72/90/181277290.db2.gz NXNJBJYXBZCDGA-UHFFFAOYSA-N -1 0 310.375 1.919 50 0 DDAARM CC(C)N1C[C@@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1=O ZINC000236833607 202030674 /nfs/dbraw/zinc/03/06/74/202030674.db2.gz NOKRHQRCFWMJCH-OLZOCXBDSA-N -1 0 310.394 1.347 50 0 DDAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237325235 202231434 /nfs/dbraw/zinc/23/14/34/202231434.db2.gz JDDHCDBSZRSPDW-FZMZJTMJSA-N -1 0 309.337 1.706 50 0 DDAARM COc1ccc(-c2n[nH]cc2C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237387505 202251420 /nfs/dbraw/zinc/25/14/20/202251420.db2.gz SFWQKRKEVBPVFV-NSHDSACASA-N -1 0 315.329 1.632 50 0 DDAARM COc1ccc(-c2n[nH]cc2C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237387393 202252221 /nfs/dbraw/zinc/25/22/21/202252221.db2.gz SFWQKRKEVBPVFV-LLVKDONJSA-N -1 0 315.329 1.632 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237717401 202337172 /nfs/dbraw/zinc/33/71/72/202337172.db2.gz UBLXUDRYALCERM-CYBMUJFWSA-N -1 0 323.393 1.662 50 0 DDAARM Cc1ccc(-c2ocnc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000237697744 202329916 /nfs/dbraw/zinc/32/99/16/202329916.db2.gz GMCNBTCAASEOPS-GFCCVEGCSA-N -1 0 316.313 1.576 50 0 DDAARM Cc1nn(C)cc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237777543 202352896 /nfs/dbraw/zinc/35/28/96/202352896.db2.gz BCDKOVKHNMZWSX-ZDUSSCGKSA-N -1 0 301.346 1.402 50 0 DDAARM O=C([O-])C[C@H]1CSCCN1C(=O)Cn1ncc2ccccc21 ZINC000238037304 202425033 /nfs/dbraw/zinc/42/50/33/202425033.db2.gz XQLGMVZQIRSOPV-LBPRGKRZSA-N -1 0 319.386 1.455 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000238067241 202432936 /nfs/dbraw/zinc/43/29/36/202432936.db2.gz WBECDMWAYMTDJE-OAHLLOKOSA-N -1 0 313.357 1.881 50 0 DDAARM Cn1nccc1/C=C/C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000192838545 200951190 /nfs/dbraw/zinc/95/11/90/200951190.db2.gz GFBDKQGFZSNTQU-LFAOLKIESA-N -1 0 311.341 1.471 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2csnc2C)(C(=O)[O-])C1(C)C ZINC000193031093 200979446 /nfs/dbraw/zinc/97/94/46/200979446.db2.gz COTXIEJHYWYJMT-QMTHXVAHSA-N -1 0 312.391 1.840 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091586514 193075486 /nfs/dbraw/zinc/07/54/86/193075486.db2.gz TZRQEGFSPVXXKV-WDEREUQCSA-N -1 0 316.379 1.269 50 0 DDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1cccs1)CC2 ZINC000091848770 193116896 /nfs/dbraw/zinc/11/68/96/193116896.db2.gz HUOQCELICYATRQ-JTQLQIEISA-N -1 0 322.386 1.286 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000261765776 203111033 /nfs/dbraw/zinc/11/10/33/203111033.db2.gz IKAUVVXFYMIWHV-MRVPVSSYSA-N -1 0 304.277 1.626 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000262926596 203415862 /nfs/dbraw/zinc/41/58/62/203415862.db2.gz WPRYBURJRXVWKR-ZDUSSCGKSA-N -1 0 313.313 1.958 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2CCCO2)cc1OC ZINC000013183644 181837391 /nfs/dbraw/zinc/83/73/91/181837391.db2.gz AGWCQUPBPBZIFK-AAEUAGOBSA-N -1 0 323.345 1.515 50 0 DDAARM O=C([O-])[C@H](c1cccc(C(=O)NC2CC2)c1)N1CCSCC1 ZINC000095357223 304174103 /nfs/dbraw/zinc/17/41/03/304174103.db2.gz XHCNTLYEMZKTLX-AWEZNQCLSA-N -1 0 320.414 1.753 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1cc2c(s1)CCCC2 ZINC000020615007 182239654 /nfs/dbraw/zinc/23/96/54/182239654.db2.gz XXYTUXHLSJPTJI-UHFFFAOYSA-N -1 0 319.386 1.989 50 0 DDAARM COc1ccc(-c2nc(CC(=O)N[C@@H](C)C(=O)[O-])cs2)cc1 ZINC000020721167 182243673 /nfs/dbraw/zinc/24/36/73/182243673.db2.gz KZITXNUPIBCOKE-VIFPVBQESA-N -1 0 320.370 1.951 50 0 DDAARM COc1ccc(NC(=O)c2nnc(COCC(=O)[O-])s2)cc1 ZINC000034927197 182745176 /nfs/dbraw/zinc/74/51/76/182745176.db2.gz MYYOSANFGDVIKO-UHFFFAOYSA-N -1 0 323.330 1.400 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1c(Cl)cccc1Cl ZINC000088374287 304199459 /nfs/dbraw/zinc/19/94/59/304199459.db2.gz LBSKZISBADZGNA-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM CC1=C(C)C[C@@H](C(=O)NCCCn2ccnc2)[C@H](C(=O)[O-])C1 ZINC000039349667 183017234 /nfs/dbraw/zinc/01/72/34/183017234.db2.gz WCWGDJNDACBHMG-ZIAGYGMSSA-N -1 0 305.378 1.837 50 0 DDAARM COc1cccc2c1ccn2CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000040286040 183051607 /nfs/dbraw/zinc/05/16/07/183051607.db2.gz NFNWYYBUICINCJ-GFCCVEGCSA-N -1 0 316.357 1.973 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)no1 ZINC000041237629 183179919 /nfs/dbraw/zinc/17/99/19/183179919.db2.gz SRCYKPOVVBDCBD-UHFFFAOYSA-N -1 0 309.303 1.115 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000043700477 183381666 /nfs/dbraw/zinc/38/16/66/183381666.db2.gz CNNHYBDYFLKIKG-SNVBAGLBSA-N -1 0 304.129 1.919 50 0 DDAARM COc1ccccc1[C@@H](C)CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000268932495 207096754 /nfs/dbraw/zinc/09/67/54/207096754.db2.gz AQKJTNNFOFQVCH-QWHCGFSZSA-N -1 0 321.373 1.891 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1nc2ccccc2s1 ZINC000268989325 207147009 /nfs/dbraw/zinc/14/70/09/207147009.db2.gz RGLAWLMNLBTHQQ-QRGHLMKCSA-N -1 0 318.354 1.622 50 0 DDAARM COC(=O)c1cc([N-]S(=O)(=O)c2cn[nH]c2)cc(C)c1C ZINC000058247642 184095058 /nfs/dbraw/zinc/09/50/58/184095058.db2.gz WEBBEPJVTUJVIC-UHFFFAOYSA-N -1 0 309.347 1.614 50 0 DDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1OC(F)(F)F ZINC000061844944 184189769 /nfs/dbraw/zinc/18/97/69/184189769.db2.gz HOBQHBATGRBNMU-UHFFFAOYSA-N -1 0 308.241 1.504 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000062132661 184207525 /nfs/dbraw/zinc/20/75/25/184207525.db2.gz HNIDYXFNWNMNPK-CYBMUJFWSA-N -1 0 309.387 1.661 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000269186639 207307844 /nfs/dbraw/zinc/30/78/44/207307844.db2.gz MSFYXCHTMFJFIG-MRVPVSSYSA-N -1 0 301.701 1.791 50 0 DDAARM COc1ccc(C(C)(C)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000269184743 207305775 /nfs/dbraw/zinc/30/57/75/207305775.db2.gz MFVZVVPAYIQZPW-LLVKDONJSA-N -1 0 321.373 1.915 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)c1ccc2ccccc2n1 ZINC000065534028 184361961 /nfs/dbraw/zinc/36/19/61/184361961.db2.gz UFTZKEZWDLBCMK-SMDDNHRTSA-N -1 0 300.314 1.285 50 0 DDAARM COc1ccsc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000299750805 533092667 /nfs/dbraw/zinc/09/26/67/533092667.db2.gz OKZBSZNLKPOQQF-SNVBAGLBSA-N -1 0 313.375 1.853 50 0 DDAARM Cc1cccc(C)c1CC(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000156162783 197090537 /nfs/dbraw/zinc/09/05/37/197090537.db2.gz DKUFODUTPHEQIR-UHFFFAOYSA-N -1 0 305.359 1.141 50 0 DDAARM COc1ccc(CNC(=O)COC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299753306 533587425 /nfs/dbraw/zinc/58/74/25/533587425.db2.gz XTCUUAVOVANTCC-LBPRGKRZSA-N -1 0 323.345 1.205 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1ccccc1N1CCOCC1)C(=O)[O-] ZINC000299748997 134744632 /nfs/dbraw/zinc/74/46/32/134744632.db2.gz IVGSWABDZYMIRY-CQSZACIVSA-N -1 0 320.389 1.752 50 0 DDAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2oc1=O ZINC000000104699 406620921 /nfs/dbraw/zinc/62/09/21/406620921.db2.gz YBXVBJCIEODZBP-UHFFFAOYSA-N -1 0 305.315 1.327 50 0 DDAARM COCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000148294 406626349 /nfs/dbraw/zinc/62/63/49/406626349.db2.gz ZQVDKKSXYUJXAZ-UHFFFAOYSA-N -1 0 321.358 1.467 50 0 DDAARM CCOC(=O)COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000002488653 406687532 /nfs/dbraw/zinc/68/75/32/406687532.db2.gz MJQZSWSYPVCYIT-AAEUAGOBSA-N -1 0 311.359 1.417 50 0 DDAARM CCOC(=O)[C@H](CSCC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002576487 406690550 /nfs/dbraw/zinc/69/05/50/406690550.db2.gz BGTFXDMIBSMDEY-QMMMGPOBSA-N -1 0 307.368 1.261 50 0 DDAARM COC(=O)c1cc(-c2cccs2)n2nc(C(=O)[O-])cc2n1 ZINC000002751923 406697918 /nfs/dbraw/zinc/69/79/18/406697918.db2.gz HOYZZVJEZXOPAQ-UHFFFAOYSA-N -1 0 303.299 1.943 50 0 DDAARM CC(=O)N/C(=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)[O-] ZINC000000332053 406639057 /nfs/dbraw/zinc/63/90/57/406639057.db2.gz AAJVHBSGWUAGPJ-WUXMJOGZSA-N -1 0 321.285 1.099 50 0 DDAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000069675304 406755900 /nfs/dbraw/zinc/75/59/00/406755900.db2.gz FVCAHUJQMNFPJH-UHFFFAOYSA-N -1 0 304.734 1.717 50 0 DDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000003001577 406708210 /nfs/dbraw/zinc/70/82/10/406708210.db2.gz XJYDCXKKCZHEEP-LTBFUDJGSA-N -1 0 318.373 1.779 50 0 DDAARM CCOC(=O)CCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000009225465 406805243 /nfs/dbraw/zinc/80/52/43/406805243.db2.gz GLWXTWWSGNFDKX-UHFFFAOYSA-N -1 0 304.350 1.377 50 0 DDAARM CCC(NNc1cccc2ccccc21)=C1C(=O)[N-]C(=O)NC1=O ZINC000009358943 406807429 /nfs/dbraw/zinc/80/74/29/406807429.db2.gz NTSVFVSAPPDWFG-UHFFFAOYSA-N -1 0 324.340 1.786 50 0 DDAARM O=c1nc(CSc2nc3ncccn3n2)[n-]c2ccsc21 ZINC000009447641 406809336 /nfs/dbraw/zinc/80/93/36/406809336.db2.gz SPAUWKGGKRZWOE-UHFFFAOYSA-N -1 0 316.371 1.715 50 0 DDAARM CS(=O)(=O)c1ccc(N2CCCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000016158929 406882919 /nfs/dbraw/zinc/88/29/19/406882919.db2.gz ADVWBBDLQVPIER-GFCCVEGCSA-N -1 0 301.339 1.673 50 0 DDAARM Cc1cc(C)cc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)c1 ZINC000022584985 406890948 /nfs/dbraw/zinc/89/09/48/406890948.db2.gz WXCHZRLQFWEJPT-HNNXBMFYSA-N -1 0 319.405 1.333 50 0 DDAARM COC(=O)[C@@H](C)SC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1 ZINC000012361145 406842582 /nfs/dbraw/zinc/84/25/82/406842582.db2.gz PLMITPNIOXBEIP-ZCFIWIBFSA-N -1 0 318.351 1.591 50 0 DDAARM Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000075092352 406921347 /nfs/dbraw/zinc/92/13/47/406921347.db2.gz LUOFEFZWRCSVJL-UHFFFAOYSA-N -1 0 306.269 1.933 50 0 DDAARM CC(C)CNC(=O)c1cccc(N2CCC(C(=O)[O-])CC2)n1 ZINC000033268088 406960978 /nfs/dbraw/zinc/96/09/78/406960978.db2.gz ABOKQLVUKBMYFV-UHFFFAOYSA-N -1 0 305.378 1.768 50 0 DDAARM O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000044917278 407034306 /nfs/dbraw/zinc/03/43/06/407034306.db2.gz JOSSABSIHDAZNC-VIFPVBQESA-N -1 0 305.359 1.121 50 0 DDAARM COc1ncccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000047521284 407074670 /nfs/dbraw/zinc/07/46/70/407074670.db2.gz ODDKSCOVSLPXCB-UHFFFAOYSA-N -1 0 321.358 1.849 50 0 DDAARM Cc1noc(C)c1CCC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-] ZINC000095370537 407210231 /nfs/dbraw/zinc/21/02/31/407210231.db2.gz AYFVSFWKUQYISG-CQSZACIVSA-N -1 0 318.333 1.158 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2c3ccccc3oc2C(N)=O)c1 ZINC000058343541 407221355 /nfs/dbraw/zinc/22/13/55/407221355.db2.gz YRLQJFOLMJRWOX-UHFFFAOYSA-N -1 0 320.330 1.066 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cn1 ZINC000096103554 407236922 /nfs/dbraw/zinc/23/69/22/407236922.db2.gz LWRXXIQPQYYXCX-UHFFFAOYSA-N -1 0 320.374 1.130 50 0 DDAARM O=C1NCCCn2cc(S(=O)(=O)[N-]c3ccccc3)cc21 ZINC000065258697 407241418 /nfs/dbraw/zinc/24/14/18/407241418.db2.gz VHOLNVXSRJABCZ-UHFFFAOYSA-N -1 0 305.359 1.422 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000122976033 407315908 /nfs/dbraw/zinc/31/59/08/407315908.db2.gz WZCAWFQMQLHZPC-ONGXEEELSA-N -1 0 321.283 1.988 50 0 DDAARM C[C@@H](O)Cn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100453192 407307997 /nfs/dbraw/zinc/30/79/97/407307997.db2.gz OKSRUSRDMBOQMK-ZCFIWIBFSA-N -1 0 315.192 1.829 50 0 DDAARM O=C(NC[C@H]1CCCO1)c1nn(-c2ccccc2F)cc1[O-] ZINC000104133891 407348062 /nfs/dbraw/zinc/34/80/62/407348062.db2.gz OFSQIVIYNSNTHT-SNVBAGLBSA-N -1 0 305.309 1.626 50 0 DDAARM Cc1noc(C)c1N(C)S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000170653923 407466532 /nfs/dbraw/zinc/46/65/32/407466532.db2.gz MHASDLWZERPGTL-UHFFFAOYSA-N -1 0 324.358 1.744 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)CC[C@H]2CCOC2)s1 ZINC000170656491 407467097 /nfs/dbraw/zinc/46/70/97/407467097.db2.gz MRZFTEMTLULGHP-JTQLQIEISA-N -1 0 318.420 1.382 50 0 DDAARM C[C@@H](Cc1ccccn1)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000215078022 407479316 /nfs/dbraw/zinc/47/93/16/407479316.db2.gz AUESSXSTRKNGPK-ZDUSSCGKSA-N -1 0 322.368 1.922 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000261611805 407551960 /nfs/dbraw/zinc/55/19/60/407551960.db2.gz AUJIPPRILNQQGH-LLVKDONJSA-N -1 0 317.407 1.057 50 0 DDAARM Cc1cc(=O)n2c(=O)c(/C=C\c3ccc(Cl)cc3)n[n-]c2n1 ZINC000230161953 407681605 /nfs/dbraw/zinc/68/16/05/407681605.db2.gz JBHXOXCWFNXESK-DAXSKMNVSA-N -1 0 314.732 1.910 50 0 DDAARM CC1CCC(N2C[C@@H](C(=O)NCCCCC(=O)[O-])CC2=O)CC1 ZINC000236667454 407746153 /nfs/dbraw/zinc/74/61/53/407746153.db2.gz IYKSURRDYPXIDM-MOKVOYLWSA-N -1 0 324.421 1.785 50 0 DDAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000238005310 407866058 /nfs/dbraw/zinc/86/60/58/407866058.db2.gz VVAFHBWBWPPAOC-ZDUSSCGKSA-N -1 0 303.358 1.668 50 0 DDAARM O=C([O-])CCN(C(=O)Cc1ccccc1F)C1CCOCC1 ZINC000238066080 407882278 /nfs/dbraw/zinc/88/22/78/407882278.db2.gz XAHPKAHQNYAIBT-UHFFFAOYSA-N -1 0 309.337 1.851 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000238070211 407883099 /nfs/dbraw/zinc/88/30/99/407883099.db2.gz WLRCNDGFRFFENS-CYBMUJFWSA-N -1 0 300.314 1.146 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000238080936 407887968 /nfs/dbraw/zinc/88/79/68/407887968.db2.gz DYJTXFJRQPAKNR-NSHDSACASA-N -1 0 300.318 1.204 50 0 DDAARM CNC(=O)[C@H]1CCCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262716234 407906330 /nfs/dbraw/zinc/90/63/30/407906330.db2.gz CRSCPKYQYLTDNE-CQSZACIVSA-N -1 0 318.373 1.445 50 0 DDAARM O=C([O-])COc1cccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000262768692 407923180 /nfs/dbraw/zinc/92/31/80/407923180.db2.gz GVEDMHGONICSJP-DZGCQCFKSA-N -1 0 319.357 1.837 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2Cl)C[C@H]1C(=O)[O-] ZINC000263064029 408014231 /nfs/dbraw/zinc/01/42/31/408014231.db2.gz FWFGSIBGAHKHDG-HTQZYQBOSA-N -1 0 321.757 1.820 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000136134104 408080308 /nfs/dbraw/zinc/08/03/08/408080308.db2.gz RVRFYNFQGCFEDG-SECBINFHSA-N -1 0 318.358 1.537 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC(=O)N2CCc3ccccc32)C1 ZINC000263352453 408114777 /nfs/dbraw/zinc/11/47/77/408114777.db2.gz VZVAVLGKWRDRHW-QWHCGFSZSA-N -1 0 316.357 1.193 50 0 DDAARM CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263571782 408178184 /nfs/dbraw/zinc/17/81/84/408178184.db2.gz JXDXOQYRCIQLID-KFWWJZLASA-N -1 0 305.374 1.860 50 0 DDAARM C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)CS2 ZINC000268901655 408219743 /nfs/dbraw/zinc/21/97/43/408219743.db2.gz GLODFIUWKCYZQX-XPTSAGLGSA-N -1 0 324.358 1.048 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000155901390 408223211 /nfs/dbraw/zinc/22/32/11/408223211.db2.gz RTNWHNYOSZWPKK-FZMZJTMJSA-N -1 0 324.352 1.131 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cnn(CC)c2)(C(=O)[O-])C1(C)C ZINC000193036168 408685764 /nfs/dbraw/zinc/68/57/64/408685764.db2.gz QUZRRABKQMEANI-ABAIWWIYSA-N -1 0 309.366 1.291 50 0 DDAARM CCN1C(=O)[C@H](CC(=O)[O-])SC1=Nc1ccc2c(c1)OCO2 ZINC000252642764 408807289 /nfs/dbraw/zinc/80/72/89/408807289.db2.gz ZPSLUEKIORVHSH-NSHDSACASA-N -1 0 322.342 1.841 50 0 DDAARM O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1coc2ccccc12 ZINC000408397615 164318924 /nfs/dbraw/zinc/31/89/24/164318924.db2.gz YXAXLDWPKPURFU-JTQLQIEISA-N -1 0 309.343 1.671 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000133069717 196309529 /nfs/dbraw/zinc/30/95/29/196309529.db2.gz TVNJYRJGODQZPI-HUUCEWRRSA-N -1 0 318.373 1.577 50 0 DDAARM O=C(CCc1ccccc1)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102990052 418495678 /nfs/dbraw/zinc/49/56/78/418495678.db2.gz NJNCMIBISIJLBG-UHFFFAOYSA-N -1 0 322.368 1.540 50 0 DDAARM CSC[C@H](NC(=O)c1ccccc1N1CCCC1)C(=O)[O-] ZINC000426487842 228577636 /nfs/dbraw/zinc/57/76/36/228577636.db2.gz DRUUBXSUGLSODY-LBPRGKRZSA-N -1 0 308.403 1.833 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000071285056 281435675 /nfs/dbraw/zinc/43/56/75/281435675.db2.gz UZYSTBBBALVSII-VXGBXAGGSA-N -1 0 300.318 1.563 50 0 DDAARM COC[C@](C)(NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000237147185 293256087 /nfs/dbraw/zinc/25/60/87/293256087.db2.gz WGCLJPDISRDIDY-INIZCTEOSA-N -1 0 323.393 1.735 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2ccccc2O1 ZINC000069981902 297061708 /nfs/dbraw/zinc/06/17/08/297061708.db2.gz DEPISSIZHUXHBI-SECBINFHSA-N -1 0 322.342 1.689 50 0 DDAARM Cc1cc(C)c2c(n[nH]c2NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071284678 301206947 /nfs/dbraw/zinc/20/69/47/301206947.db2.gz OBIMBSPRXYLZRF-ZJUUUORDSA-N -1 0 302.334 1.870 50 0 DDAARM Nc1nc(-c2ccco2)[n-]c(=O)c1I ZINC000075172794 303502614 /nfs/dbraw/zinc/50/26/14/303502614.db2.gz SDNWNEFCWOLTNW-UHFFFAOYSA-N -1 0 303.059 1.217 50 0 DDAARM Cc1ccc(CCNC(=O)C2(C(=O)[O-])CCOCC2)c(C)c1 ZINC000568273875 308114843 /nfs/dbraw/zinc/11/48/43/308114843.db2.gz LUCXONSCOBWLMA-UHFFFAOYSA-N -1 0 305.374 1.844 50 0 DDAARM COc1cc(C2(C(=O)N3CCO[C@H](C(=O)[O-])C3)CC2)ccc1C ZINC000299753684 533713605 /nfs/dbraw/zinc/71/36/05/533713605.db2.gz YYVTWGHIORQFMG-AWEZNQCLSA-N -1 0 319.357 1.347 50 0 DDAARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000083888597 483986667 /nfs/dbraw/zinc/98/66/67/483986667.db2.gz IACZAPQHUMCRKB-WCQYABFASA-N -1 0 302.330 1.649 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000299742037 534524617 /nfs/dbraw/zinc/52/46/17/534524617.db2.gz ATNDHHDKXQTLNS-DOMZBBRYSA-N -1 0 303.358 1.494 50 0 DDAARM CC(=O)N1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1 ZINC000492143427 526601970 /nfs/dbraw/zinc/60/19/70/526601970.db2.gz YTLPHCFJUMKSRY-DAXSKMNVSA-N -1 0 302.330 1.089 50 0 DDAARM CCCCOCC(=O)N1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426566866 528574693 /nfs/dbraw/zinc/57/46/93/528574693.db2.gz IWFAHQQGECQTFP-ZDUSSCGKSA-N -1 0 323.393 1.490 50 0 DDAARM CC[C@H](C)C1C(=O)N=C(SCC(=O)N(CC)CC)N=C1[O-] ZINC000005080959 696012224 /nfs/dbraw/zinc/01/22/24/696012224.db2.gz DSUGKGAPAYTRAU-VIFPVBQESA-N -1 0 313.423 1.950 50 0 DDAARM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(N)=O ZINC000888099529 709213064 /nfs/dbraw/zinc/21/30/64/709213064.db2.gz OVQKYVNGEFXJAH-ZETCQYMHSA-N -1 0 304.393 1.088 50 0 DDAARM Cn1cc([C@@H]2OCCC[C@H]2C(=O)N2CCCC[C@H]2C(=O)[O-])cn1 ZINC000585139510 771967385 /nfs/dbraw/zinc/96/73/85/771967385.db2.gz IOSRAIGWFNBGAU-RDBSUJKOSA-N -1 0 321.377 1.354 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000585139568 771967399 /nfs/dbraw/zinc/96/73/99/771967399.db2.gz RFGQYTAHMMIKOF-CABZTGNLSA-N -1 0 308.300 1.194 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)[C@@H]2Cc3ccccc32)n1 ZINC000090983440 539174443 /nfs/dbraw/zinc/17/44/43/539174443.db2.gz RVYPWFSZLOYVFI-LLVKDONJSA-N -1 0 302.355 1.840 50 0 DDAARM Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)[nH]n1 ZINC000262868889 539275910 /nfs/dbraw/zinc/27/59/10/539275910.db2.gz AVNLQKWKAHCJBG-SNVBAGLBSA-N -1 0 303.318 1.673 50 0 DDAARM CCCNC(=O)Nc1ccc(CC(=O)NCCC(=O)[O-])cc1 ZINC000089960198 185271872 /nfs/dbraw/zinc/27/18/72/185271872.db2.gz GVXITHOYVIOAHY-UHFFFAOYSA-N -1 0 307.350 1.352 50 0 DDAARM Cc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ncn1 ZINC000095463890 185371449 /nfs/dbraw/zinc/37/14/49/185371449.db2.gz LBIQLFXWJJICTA-OAHLLOKOSA-N -1 0 324.340 1.692 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000299379210 529872783 /nfs/dbraw/zinc/87/27/83/529872783.db2.gz VDBVWYTVAGEJNR-CQSZACIVSA-N -1 0 307.346 1.791 50 0 DDAARM CC1=NS(=O)(=O)N(Cc2ccc(Cl)cc2)C=C1C(=O)[O-] ZINC000169758965 197749857 /nfs/dbraw/zinc/74/98/57/197749857.db2.gz QSQDMVIOGFSQQB-UHFFFAOYSA-N -1 0 314.750 1.830 50 0 DDAARM Nc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C(=O)Nc1ccccc1 ZINC000102916445 185425892 /nfs/dbraw/zinc/42/58/92/185425892.db2.gz OMYKKPFHAQECTN-CYBMUJFWSA-N -1 0 322.324 1.129 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000491848194 529934190 /nfs/dbraw/zinc/93/41/90/529934190.db2.gz SLTPQAMYGDOOSH-DAXSKMNVSA-N -1 0 316.357 1.383 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2ccc(-n3cncn3)cc2)[C@@H]1C(=O)[O-] ZINC000071285055 190952755 /nfs/dbraw/zinc/95/27/55/190952755.db2.gz UZYSTBBBALVSII-NWDGAFQWSA-N -1 0 300.318 1.563 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2cc(=O)[nH]c3ccccc32)CCSC1 ZINC000277321616 213443981 /nfs/dbraw/zinc/44/39/81/213443981.db2.gz UGXNVYCTLFYFBB-OAHLLOKOSA-N -1 0 318.354 1.631 50 0 DDAARM O=C([O-])[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000181904692 186217355 /nfs/dbraw/zinc/21/73/55/186217355.db2.gz SXOCBSOIPGEORS-WDEREUQCSA-N -1 0 301.701 1.900 50 0 DDAARM C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237501306 186298256 /nfs/dbraw/zinc/29/82/56/186298256.db2.gz JDDHCDBSZRSPDW-BXUZGUMPSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)C1=NN(C)C(=O)CC1 ZINC000262911689 186323511 /nfs/dbraw/zinc/32/35/11/186323511.db2.gz CSMNMUPDLKCEQI-UHFFFAOYSA-N -1 0 319.317 1.005 50 0 DDAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc3c(c2)OCCO3)C1 ZINC000101579766 304036192 /nfs/dbraw/zinc/03/61/92/304036192.db2.gz HXNPXFJUJXRDPC-SNVBAGLBSA-N -1 0 300.274 1.033 50 0 DDAARM COc1cc(-c2ncccc2O)cc(S(=O)(=O)[O-])c1OC ZINC000004455904 181110896 /nfs/dbraw/zinc/11/08/96/181110896.db2.gz QWGSGGGAPPUAQJ-UHFFFAOYSA-N -1 0 311.315 1.718 50 0 DDAARM Cc1cnc(C(=O)OCc2nc(=O)c3sccc3[n-]2)cn1 ZINC000005171681 181213037 /nfs/dbraw/zinc/21/30/37/181213037.db2.gz CWUZYVHJYBDPGJ-UHFFFAOYSA-N -1 0 302.315 1.440 50 0 DDAARM O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000238187680 304068963 /nfs/dbraw/zinc/06/89/63/304068963.db2.gz KVQZBYHVJLSPRA-RKDXNWHRSA-N -1 0 303.236 1.890 50 0 DDAARM C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000237580039 295966005 /nfs/dbraw/zinc/96/60/05/295966005.db2.gz WHRTVRMIOIUNPQ-UWVGGRQHSA-N -1 0 324.764 1.530 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000237559928 202282543 /nfs/dbraw/zinc/28/25/43/202282543.db2.gz QTECFUJPBCZTHM-OCCSQVGLSA-N -1 0 318.373 1.527 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000237645115 202315283 /nfs/dbraw/zinc/31/52/83/202315283.db2.gz KALXJUFBBXRJAG-KRWDZBQOSA-N -1 0 314.341 1.325 50 0 DDAARM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])[nH]n1 ZINC000237722665 202338356 /nfs/dbraw/zinc/33/83/56/202338356.db2.gz HKYOKLWANSOVOD-GFCCVEGCSA-N -1 0 317.349 1.116 50 0 DDAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000237845996 202369270 /nfs/dbraw/zinc/36/92/70/202369270.db2.gz AADTUAZKNASZAZ-ZDUSSCGKSA-N -1 0 314.345 1.573 50 0 DDAARM CC(=O)N1CCC[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000192839067 200951026 /nfs/dbraw/zinc/95/10/26/200951026.db2.gz JYZYWUDCEHACAF-AWEZNQCLSA-N -1 0 304.346 1.260 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000299752782 304134876 /nfs/dbraw/zinc/13/48/76/304134876.db2.gz VJLMNTGIWLTSNI-UPJWGTAASA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1SCCc2sccc21 ZINC000269001391 304135442 /nfs/dbraw/zinc/13/54/42/304135442.db2.gz YQUDPKBKYGQGAV-ONGXEEELSA-N -1 0 313.400 1.391 50 0 DDAARM O=C([O-])c1cccc(CC(=O)N(C[C@@H]2CCOC2)C2CC2)c1 ZINC000262190069 203223818 /nfs/dbraw/zinc/22/38/18/203223818.db2.gz NGEDDXAEKMAXCO-ZDUSSCGKSA-N -1 0 303.358 1.955 50 0 DDAARM Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1C(N)=O ZINC000262684266 203380561 /nfs/dbraw/zinc/38/05/61/203380561.db2.gz BVDFJIHHQUWSNQ-XYPYZODXSA-N -1 0 304.346 1.923 50 0 DDAARM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc21 ZINC000096025684 193490949 /nfs/dbraw/zinc/49/09/49/193490949.db2.gz GJAJAGAYDYJYBT-UHFFFAOYSA-N -1 0 320.374 1.130 50 0 DDAARM Cc1cccc(N2CCN(C(=O)COCC(=O)[O-])CC2)c1C ZINC000017031315 182069023 /nfs/dbraw/zinc/06/90/23/182069023.db2.gz BKJVUMNGGDZVOP-UHFFFAOYSA-N -1 0 306.362 1.053 50 0 DDAARM O=C([O-])CCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020201035 182196830 /nfs/dbraw/zinc/19/68/30/182196830.db2.gz SKQRCIZXKPFTNX-SECBINFHSA-N -1 0 310.737 1.284 50 0 DDAARM COc1c(F)cc2c(=O)c(C(=O)[O-])cn(CCF)c2c1F ZINC000020731658 182244261 /nfs/dbraw/zinc/24/42/61/182244261.db2.gz CCIYHFIKGWYGLS-UHFFFAOYSA-N -1 0 301.220 1.956 50 0 DDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(Cc1cccs1)c2=O ZINC000040478875 183076243 /nfs/dbraw/zinc/07/62/43/183076243.db2.gz WZLOIVRAYMSUSW-UHFFFAOYSA-N -1 0 302.311 1.498 50 0 DDAARM C[C@@H](Oc1ccc(Br)cc1)C(=O)[N-]S(C)(=O)=O ZINC000042280311 183249931 /nfs/dbraw/zinc/24/99/31/183249931.db2.gz JSMSYCQWLYTQAI-SSDOTTSWSA-N -1 0 322.180 1.292 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000268874119 207044852 /nfs/dbraw/zinc/04/48/52/207044852.db2.gz AIAUJIIZWREAFG-VHSXEESVSA-N -1 0 321.720 1.727 50 0 DDAARM CCOc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000268998780 207155052 /nfs/dbraw/zinc/15/50/52/207155052.db2.gz XLTAKIWVJYIHPB-LHRNQBEKSA-N -1 0 305.330 1.411 50 0 DDAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccn2cnnc12 ZINC000062592019 184244411 /nfs/dbraw/zinc/24/44/11/184244411.db2.gz AKQLXUCXKVTWLU-UHFFFAOYSA-N -1 0 310.285 1.808 50 0 DDAARM CCc1noc(-c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)n1 ZINC000065488443 184352936 /nfs/dbraw/zinc/35/29/36/184352936.db2.gz BBDRUGTYSVVSBK-SNVBAGLBSA-N -1 0 301.302 1.737 50 0 DDAARM Cc1cccc(N2C(=O)[C@H]3C(C(=O)c4ccco4)=NOC3=C2[O-])c1 ZINC000100355178 257272813 /nfs/dbraw/zinc/27/28/13/257272813.db2.gz VCTMREXQUFBLPG-WFASDCNBSA-N -1 0 324.292 1.715 50 0 DDAARM O=S(=O)([N-]c1nnc(C2CC2)s1)c1cccc2nonc21 ZINC000000146452 406626184 /nfs/dbraw/zinc/62/61/84/406626184.db2.gz DBWDYENFOSOQSN-UHFFFAOYSA-N -1 0 323.359 1.753 50 0 DDAARM CCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000000488953 406651069 /nfs/dbraw/zinc/65/10/69/406651069.db2.gz LTQDSTMTYWKRKA-VIFPVBQESA-N -1 0 319.313 1.324 50 0 biogenic DDAARM CCOC(=O)N1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000000556154 406656507 /nfs/dbraw/zinc/65/65/07/406656507.db2.gz GQXHITYRCGIMGV-RYUDHWBXSA-N -1 0 312.366 1.178 50 0 DDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCSCC1 ZINC000000806162 406660420 /nfs/dbraw/zinc/66/04/20/406660420.db2.gz KYLQDDLCKBATST-UHFFFAOYSA-N -1 0 301.389 1.431 50 0 DDAARM CCCc1ccc(N2CCN(C(=O)/C=C/C(=O)[O-])CC2)cc1 ZINC000001019568 406663087 /nfs/dbraw/zinc/66/30/87/406663087.db2.gz UEICVATXNFVINJ-CMDGGOBGSA-N -1 0 302.374 1.929 50 0 DDAARM CCSCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001726554 406677600 /nfs/dbraw/zinc/67/76/00/406677600.db2.gz NBZUWRIIADXPQZ-UHFFFAOYSA-N -1 0 302.421 1.736 50 0 DDAARM CC(C)(C)OC(=O)NCC(=O)OCc1ccc(CC(=O)[O-])cc1 ZINC000002564737 406691299 /nfs/dbraw/zinc/69/12/99/406691299.db2.gz WFHPWQWRAUQUHT-UHFFFAOYSA-N -1 0 323.345 1.882 50 0 DDAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1Cc2ccccc2O1 ZINC000069560994 406734718 /nfs/dbraw/zinc/73/47/18/406734718.db2.gz YOPWEUALUPLFSO-CQSZACIVSA-N -1 0 323.308 1.972 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncn(CC(=O)N3CCCC3)c(=O)c12 ZINC000009777190 406814063 /nfs/dbraw/zinc/81/40/63/406814063.db2.gz JFAPQXBIDMLUEH-UHFFFAOYSA-N -1 0 321.358 1.087 50 0 DDAARM Cc1nn(C)c2sc(C(=O)N3CCC(C(=O)[O-])CC3)cc12 ZINC000013425702 406860676 /nfs/dbraw/zinc/86/06/76/406860676.db2.gz WHAIYRGZVMMRCZ-UHFFFAOYSA-N -1 0 307.375 1.880 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)o1 ZINC000071886362 406862762 /nfs/dbraw/zinc/86/27/62/406862762.db2.gz MZAXQSVEFRWGJH-UHFFFAOYSA-N -1 0 323.326 1.802 50 0 DDAARM Cc1cccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)c1C ZINC000022584949 406890340 /nfs/dbraw/zinc/89/03/40/406890340.db2.gz BGNNUDZFQQLPNS-HNNXBMFYSA-N -1 0 319.405 1.333 50 0 DDAARM C[C@@]12CCC(=O)N1[C@@H](C(=O)[N-]OCc1ccccc1)CS2 ZINC000025286508 406895871 /nfs/dbraw/zinc/89/58/71/406895871.db2.gz ONAVIPQHPCMDES-IUODEOHRSA-N -1 0 306.387 1.688 50 0 DDAARM COc1ccc2[nH]cc(CCN3C[C@H](C(=O)[O-])CC3=O)c2c1 ZINC000034927180 406965546 /nfs/dbraw/zinc/96/55/46/406965546.db2.gz GJXGBNDQHLFKBD-LLVKDONJSA-N -1 0 302.330 1.652 50 0 DDAARM CC[C@H](C)NC(=O)CSc1nn(-c2ccccc2)c(=O)[n-]1 ZINC000032871483 406955343 /nfs/dbraw/zinc/95/53/43/406955343.db2.gz SIUXMMWNQCIPDI-JTQLQIEISA-N -1 0 306.391 1.567 50 0 DDAARM Cc1nn(C)c2nc(C(C)C)cc(C(=O)[N-]S(C)(=O)=O)c12 ZINC000042280052 407012616 /nfs/dbraw/zinc/01/26/16/407012616.db2.gz KEJXHOGKAUJRLJ-UHFFFAOYSA-N -1 0 310.379 1.090 50 0 DDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)COC1CCCC1 ZINC000044967024 407036515 /nfs/dbraw/zinc/03/65/15/407036515.db2.gz ZQHPGVIEJHKELJ-UHFFFAOYSA-N -1 0 321.402 1.902 50 0 DDAARM CCC[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1nnn[n-]1 ZINC000084740432 407094710 /nfs/dbraw/zinc/09/47/10/407094710.db2.gz KFYCOHULVQLPDU-LLVKDONJSA-N -1 0 312.333 1.312 50 0 DDAARM O=C(NCCCc1n[nH]c(=O)[n-]1)c1c(F)c(F)cc(F)c1F ZINC000084334806 407087227 /nfs/dbraw/zinc/08/72/27/407087227.db2.gz DRRZRFQZIYVNBS-UHFFFAOYSA-N -1 0 318.230 1.017 50 0 DDAARM CC(C)(C)c1n[nH]cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000089694640 407143953 /nfs/dbraw/zinc/14/39/53/407143953.db2.gz GCHHCDHTPLEPDO-UHFFFAOYSA-N -1 0 322.390 1.607 50 0 DDAARM CCCCN1C(=O)N[C@@]([N-]c2ncccn2)(C(F)(F)F)C1=O ZINC000096231767 407253553 /nfs/dbraw/zinc/25/35/53/407253553.db2.gz AQQWHLFTCNUXIW-LLVKDONJSA-N -1 0 317.271 1.499 50 0 DDAARM CCN(Cc1ccccn1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000094911658 407203712 /nfs/dbraw/zinc/20/37/12/407203712.db2.gz GAGSTVODLOIHNX-UHFFFAOYSA-N -1 0 309.347 1.319 50 0 DDAARM Cc1sc2ncnc(NCCCc3n[nH]c(=O)[n-]3)c2c1C ZINC000095963826 407217906 /nfs/dbraw/zinc/21/79/06/407217906.db2.gz WXGXBFPZNFEJIY-UHFFFAOYSA-N -1 0 304.379 1.764 50 0 DDAARM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1nc[nH]n1 ZINC000097165110 407284689 /nfs/dbraw/zinc/28/46/89/407284689.db2.gz RRKHJQNCKFLOJC-UHFFFAOYSA-N -1 0 306.269 1.765 50 0 DDAARM Cc1cccc(-n2nc(CC(C)C)nc2Cc2n[nH]c(=O)[n-]2)c1 ZINC000067867480 407288206 /nfs/dbraw/zinc/28/82/06/407288206.db2.gz PEFCINICSYOWIP-UHFFFAOYSA-N -1 0 312.377 1.776 50 0 DDAARM Cc1ncoc1-c1nc(Cc2cccs2)nn1CC(=O)[O-] ZINC000097679733 407300971 /nfs/dbraw/zinc/30/09/71/407300971.db2.gz GMPAIXNGHKMMIU-UHFFFAOYSA-N -1 0 304.331 1.978 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)n1 ZINC000122772312 407309823 /nfs/dbraw/zinc/30/98/23/407309823.db2.gz DDLNTZAICWGARN-LLVKDONJSA-N -1 0 305.265 1.049 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000108654819 407388885 /nfs/dbraw/zinc/38/88/85/407388885.db2.gz ZIBKHZJLVZZJSF-QWHCGFSZSA-N -1 0 318.377 1.016 50 0 DDAARM Cc1ccc(CNC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000257185424 407483430 /nfs/dbraw/zinc/48/34/30/407483430.db2.gz WUKRXYHPVPKWHZ-ZDUSSCGKSA-N -1 0 300.366 1.597 50 0 DDAARM O=C([O-])CNC(=O)c1cccc(NC(=O)/C=C\c2ccco2)c1 ZINC000222162163 407552567 /nfs/dbraw/zinc/55/25/67/407552567.db2.gz KLICSXYRQQXGBM-SREVYHEPSA-N -1 0 314.297 1.746 50 0 DDAARM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000225435117 407585147 /nfs/dbraw/zinc/58/51/47/407585147.db2.gz KMEGKFBSYXKHNN-MRVPVSSYSA-N -1 0 303.384 1.191 50 0 DDAARM CC1(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)CC1 ZINC000219253962 407529729 /nfs/dbraw/zinc/52/97/29/407529729.db2.gz JGRYFDFVVWDXSH-ZIAGYGMSSA-N -1 0 319.357 1.837 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1OCC(N)=O ZINC000226744388 407622434 /nfs/dbraw/zinc/62/24/34/407622434.db2.gz HWFJEUHTBVCKDO-UHFFFAOYSA-N -1 0 321.358 1.055 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccn(-c3ccccc3Cl)n2)CC1 ZINC000237989223 407864096 /nfs/dbraw/zinc/86/40/96/407864096.db2.gz QOILGJIBWDGOFB-UHFFFAOYSA-N -1 0 305.721 1.873 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C1 ZINC000238084271 407886487 /nfs/dbraw/zinc/88/64/87/407886487.db2.gz NGDMXRJFOFEVNK-LBPRGKRZSA-N -1 0 316.357 1.437 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cc[nH]c(=O)c2)(C(=O)[O-])C1(C)C ZINC000262781607 407928023 /nfs/dbraw/zinc/92/80/23/407928023.db2.gz JDLFBCFQQCFPJO-BONVTDFDSA-N -1 0 308.334 1.175 50 0 DDAARM CCOc1ncccc1C(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000263012713 408000184 /nfs/dbraw/zinc/00/01/84/408000184.db2.gz LPYUZNVLAVUKLJ-QWRGUYRKSA-N -1 0 308.334 1.185 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000136487801 408110508 /nfs/dbraw/zinc/11/05/08/408110508.db2.gz QOYBVSZYYIDODX-LBPRGKRZSA-N -1 0 320.374 1.467 50 0 DDAARM O=C([O-])Cn1cc(/C=C/c2ncc(Br)s2)nn1 ZINC000193051096 408687563 /nfs/dbraw/zinc/68/75/63/408687563.db2.gz GIWOGAYSJVAVQG-OWOJBTEDSA-N -1 0 315.152 1.752 50 0 DDAARM C[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000178279874 408798759 /nfs/dbraw/zinc/79/87/59/408798759.db2.gz GDCSFAPZADZJCN-SFYZADRCSA-N -1 0 303.767 1.817 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccnc3ccccc23)CCO1 ZINC000178279827 408799272 /nfs/dbraw/zinc/79/92/72/408799272.db2.gz TXFLBZSZLHRUJK-NFAHFFEMSA-N -1 0 312.325 1.560 50 0 DDAARM Cc1ncc(CO)c(C=NNc2ccc(C(=O)[O-])cc2)c1O ZINC000252628483 408807012 /nfs/dbraw/zinc/80/70/12/408807012.db2.gz SRGSRICSFCAGGU-UHFFFAOYSA-N -1 0 301.302 1.732 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1 ZINC000263120573 163918024 /nfs/dbraw/zinc/91/80/24/163918024.db2.gz MAGTWOWXTYRZGS-LLVKDONJSA-N -1 0 311.359 1.107 50 0 DDAARM O=C([O-])c1csc(CCNc2cc([C@@H]3CCOC3)ncn2)n1 ZINC000299791404 410630550 /nfs/dbraw/zinc/63/05/50/410630550.db2.gz FMRPKVXGPQAFIZ-SECBINFHSA-N -1 0 320.374 1.790 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000129425538 196047468 /nfs/dbraw/zinc/04/74/68/196047468.db2.gz FUOOSLUXISUDRT-SSDOTTSWSA-N -1 0 319.691 1.934 50 0 DDAARM CN(C)c1ncc(CN(C)C(=O)c2c([O-])cccc2F)cn1 ZINC000131635396 196185902 /nfs/dbraw/zinc/18/59/02/196185902.db2.gz YQLGKLHLLXMOHO-UHFFFAOYSA-N -1 0 304.325 1.660 50 0 DDAARM CCOCCS(=O)(=O)[N-]C(=O)c1ccc2ccccc2n1 ZINC000111982536 418501553 /nfs/dbraw/zinc/50/15/53/418501553.db2.gz AUNKIPYSRGZPDP-UHFFFAOYSA-N -1 0 308.359 1.331 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000262615080 222286406 /nfs/dbraw/zinc/28/64/06/222286406.db2.gz LSOYMVIZLMGTBW-UONOGXRCSA-N -1 0 307.321 1.916 50 0 DDAARM Cc1nnc(CCC(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)[nH]1 ZINC000426534077 419501296 /nfs/dbraw/zinc/50/12/96/419501296.db2.gz QFNDWVWGCCWTRQ-AWEZNQCLSA-N -1 0 302.334 1.296 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000299742959 229379619 /nfs/dbraw/zinc/37/96/19/229379619.db2.gz LATVWBOXVLMJPC-GFCCVEGCSA-N -1 0 307.346 1.706 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)C[C@@H]1CCOc2ccccc21 ZINC000299749371 229393750 /nfs/dbraw/zinc/39/37/50/229393750.db2.gz KCENIIIYMPWDDJ-LBPRGKRZSA-N -1 0 307.346 1.502 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CCO1 ZINC000299751640 229396111 /nfs/dbraw/zinc/39/61/11/229396111.db2.gz RCJLRRIBNKEYLN-GAFUQQFSSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CCO1 ZINC000299751641 229396408 /nfs/dbraw/zinc/39/64/08/229396408.db2.gz RCJLRRIBNKEYLN-NDMJEZRESA-N -1 0 311.284 1.380 50 0 DDAARM COc1cc(/C=C\C(=O)N(C)CCC(=O)[O-])cc2c1OCCO2 ZINC000492197447 421212529 /nfs/dbraw/zinc/21/25/29/421212529.db2.gz FLBCGBDTAJQLDD-ARJAWSKDSA-N -1 0 321.329 1.413 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000583652232 422211901 /nfs/dbraw/zinc/21/19/01/422211901.db2.gz WIZJEHGQLQYBQX-LBPRGKRZSA-N -1 0 316.313 1.179 50 0 DDAARM C[C@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC000585121976 422307939 /nfs/dbraw/zinc/30/79/39/422307939.db2.gz IFPMBGSKPFMGFZ-NSHDSACASA-N -1 0 300.366 1.337 50 0 DDAARM O=C([O-])c1cccc(CN2CCn3c(CC4CC4)nnc3C2)c1 ZINC000650500494 423177383 /nfs/dbraw/zinc/17/73/83/423177383.db2.gz HGYGKGBYMNXPLP-UHFFFAOYSA-N -1 0 312.373 1.945 50 0 DDAARM CC(C)C[C@@](C)([N-]S(=O)(=O)c1c(F)cccc1F)C(N)=O ZINC000069629090 279069888 /nfs/dbraw/zinc/06/98/88/279069888.db2.gz MTSDSEDAYQNJHW-CYBMUJFWSA-N -1 0 320.361 1.533 50 0 DDAARM CC1(C)C(=O)NCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236646960 280869771 /nfs/dbraw/zinc/86/97/71/280869771.db2.gz NOWLXOOSZWKNMI-UHFFFAOYSA-N -1 0 304.346 1.054 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2cc(C(N)=O)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000071287556 281465681 /nfs/dbraw/zinc/46/56/81/281465681.db2.gz CFFJYCVUTYAVPH-VHSXEESVSA-N -1 0 310.737 1.734 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000136484082 281617250 /nfs/dbraw/zinc/61/72/50/281617250.db2.gz KUXPVVNBSLIKKO-AWEZNQCLSA-N -1 0 314.341 1.536 50 0 DDAARM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)N1CCCCCC1 ZINC000164864039 298213942 /nfs/dbraw/zinc/21/39/42/298213942.db2.gz TWDZCQZEHKHSTC-AAEUAGOBSA-N -1 0 304.412 1.340 50 0 DDAARM Cc1cc(C)n(-c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)n1 ZINC000070688669 301234482 /nfs/dbraw/zinc/23/44/82/301234482.db2.gz MVCWKVOKZBTMEL-LBPRGKRZSA-N -1 0 301.350 1.580 50 0 DDAARM Cc1c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccn1C ZINC000534646503 334306107 /nfs/dbraw/zinc/30/61/07/334306107.db2.gz OTBANPRDQMDGNF-AWEZNQCLSA-N -1 0 302.330 1.465 50 0 DDAARM Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)cc12 ZINC000263530914 484275957 /nfs/dbraw/zinc/27/59/57/484275957.db2.gz WKJOGUYMFQCYAR-KOLCDFICSA-N -1 0 316.361 1.602 50 0 DDAARM O=C([O-])CN(C(=O)[C@H]1COc2ccccc21)C1CCOCC1 ZINC000299752822 534498211 /nfs/dbraw/zinc/49/82/11/534498211.db2.gz VPGFRZFLYSHFBG-ZDUSSCGKSA-N -1 0 305.330 1.255 50 0 DDAARM CC[C@H](Oc1ccccc1F)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299749989 529168431 /nfs/dbraw/zinc/16/84/31/529168431.db2.gz MHBMHGLKNLUPHA-AAEUAGOBSA-N -1 0 311.309 1.295 50 0 DDAARM O=C([O-])CNc1ccccc1C(=O)N1CCCC[C@@H]1CCO ZINC000055089365 696281594 /nfs/dbraw/zinc/28/15/94/696281594.db2.gz LNMOUGUXAMVTPC-GFCCVEGCSA-N -1 0 306.362 1.560 50 0 DDAARM Cc1c(/C=C/C(=O)[N-]S(=O)(=O)[C@H](C)CC(C)C)cnn1C ZINC000095975574 696603502 /nfs/dbraw/zinc/60/35/02/696603502.db2.gz HFFJQCBLWWNJAW-XUIVZRPNSA-N -1 0 313.423 1.622 50 0 DDAARM O=C([O-])CN(CCc1ccccc1)C(=O)CCn1ccnc1 ZINC000738606065 699763355 /nfs/dbraw/zinc/76/33/55/699763355.db2.gz BDWYOGAKQAFQBF-UHFFFAOYSA-N -1 0 301.346 1.429 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000088375279 185247569 /nfs/dbraw/zinc/24/75/69/185247569.db2.gz IOONVZPCAXCALZ-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM Cn1cnnc1C1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000262518903 539275738 /nfs/dbraw/zinc/27/57/38/539275738.db2.gz DGCJKHLBGZEVHJ-STQMWFEESA-N -1 0 320.393 1.412 50 0 DDAARM CCN(CC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000089960999 185271991 /nfs/dbraw/zinc/27/19/91/185271991.db2.gz URQUNUNNLNCTIG-CQSZACIVSA-N -1 0 318.373 1.472 50 0 DDAARM Cc1ccc(C(=O)N(C)CCCC(=O)[O-])cc1S(C)(=O)=O ZINC000095389880 185351151 /nfs/dbraw/zinc/35/11/51/185351151.db2.gz ITUYJFCOLIBLCW-UHFFFAOYSA-N -1 0 313.375 1.335 50 0 DDAARM CCOc1ccc(Cl)cc1CCNC(=O)c1n[nH]c(=O)[n-]1 ZINC000095440924 185366237 /nfs/dbraw/zinc/36/62/37/185366237.db2.gz SQBPMNYCLBZMCJ-UHFFFAOYSA-N -1 0 310.741 1.123 50 0 DDAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000108654813 185525121 /nfs/dbraw/zinc/52/51/21/185525121.db2.gz ZIBKHZJLVZZJSF-OLZOCXBDSA-N -1 0 318.377 1.016 50 0 DDAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(-n2cnnn2)c1 ZINC000071280183 190952158 /nfs/dbraw/zinc/95/21/58/190952158.db2.gz LWYUXHPMTXTBPD-UHFFFAOYSA-N -1 0 323.312 1.542 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000237460699 186293068 /nfs/dbraw/zinc/29/30/68/186293068.db2.gz QAVMEHHWYLQBMQ-ABKXIKBNSA-N -1 0 307.394 1.585 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2cccnc2)no1 ZINC000072401725 191150964 /nfs/dbraw/zinc/15/09/64/191150964.db2.gz FNOAIABCVNCUHA-GHMZBOCLSA-N -1 0 316.317 1.105 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000072401513 191151320 /nfs/dbraw/zinc/15/13/20/191151320.db2.gz KCTMLHKLEZHQRA-MNOVXSKESA-N -1 0 316.317 1.105 50 0 DDAARM Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNCC(=O)[O-] ZINC000001021791 352109658 /nfs/dbraw/zinc/10/96/58/352109658.db2.gz MNTMOGLRFMOLFZ-CNHKJKLMSA-N -1 0 308.297 1.877 50 0 DDAARM Cc1nccn1C1(C(=O)[O-])CCN(c2nccc(C)n2)CC1 ZINC000072436564 191165995 /nfs/dbraw/zinc/16/59/95/191165995.db2.gz GYTYXENRVINNFC-UHFFFAOYSA-N -1 0 301.350 1.370 50 0 DDAARM COc1ccccc1CCNC(=O)c1nccnc1C(=O)[O-] ZINC000000147568 180708206 /nfs/dbraw/zinc/70/82/06/180708206.db2.gz CHZKDLQXPMGYJF-UHFFFAOYSA-N -1 0 301.302 1.156 50 0 DDAARM Cc1nc(C(C)C)ncc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000072469980 191175293 /nfs/dbraw/zinc/17/52/93/191175293.db2.gz IJCYEUKAGOJFIU-NSHDSACASA-N -1 0 307.350 1.224 50 0 DDAARM CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H]2[C@@H]1[C@H]2C(=O)[O-] ZINC000048546905 352542170 /nfs/dbraw/zinc/54/21/70/352542170.db2.gz QZAJZQPLUXEMRR-GJIOIBQYSA-N -1 0 306.314 1.419 50 0 DDAARM CN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2C1=O ZINC000000313601 180756954 /nfs/dbraw/zinc/75/69/54/180756954.db2.gz QWVQXNLCQXRLGT-UHFFFAOYSA-N -1 0 324.292 1.863 50 0 DDAARM CS(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000001731126 180892983 /nfs/dbraw/zinc/89/29/83/180892983.db2.gz NMVZLIAGAXHQPL-UHFFFAOYSA-N -1 0 312.174 1.840 50 0 DDAARM CCn1[n-]c(C(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc1=O ZINC000076017705 353390879 /nfs/dbraw/zinc/39/08/79/353390879.db2.gz ZHMAPBFGMDEUHK-IUODEOHRSA-N -1 0 315.373 1.583 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000004110338 181074775 /nfs/dbraw/zinc/07/47/75/181074775.db2.gz SGXRPEKTTKNILE-UHFFFAOYSA-N -1 0 320.374 1.912 50 0 DDAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(O)cc1)NCc1ccco1 ZINC000004280043 181092454 /nfs/dbraw/zinc/09/24/54/181092454.db2.gz SFFRLAHTXJZMAX-CYBMUJFWSA-N -1 0 304.302 1.557 50 0 DDAARM CCc1nc(=N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2O)s[n-]1 ZINC000585142486 354815628 /nfs/dbraw/zinc/81/56/28/354815628.db2.gz XDMQFAFLGKMEAU-IUCAKERBSA-N -1 0 321.406 1.698 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000074936874 191391095 /nfs/dbraw/zinc/39/10/95/191391095.db2.gz JDRGKEWWXDXHDN-UHFFFAOYSA-N -1 0 316.360 1.187 50 0 DDAARM CCCn1nc(C)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1C ZINC000237053932 202136475 /nfs/dbraw/zinc/13/64/75/202136475.db2.gz CNGDKJOZCGPPPL-GFCCVEGCSA-N -1 0 309.366 1.226 50 0 DDAARM COCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237148956 202167801 /nfs/dbraw/zinc/16/78/01/202167801.db2.gz WFEFYZWESFYOEB-SNVBAGLBSA-N -1 0 316.151 1.728 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000237235446 202199827 /nfs/dbraw/zinc/19/98/27/202199827.db2.gz RBLQUPSXXLCZDW-UHFFFAOYSA-N -1 0 304.346 1.750 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000237281518 202216165 /nfs/dbraw/zinc/21/61/65/202216165.db2.gz NIROUHKGCLCCOF-UWVGGRQHSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)CCO1 ZINC000299741910 304084093 /nfs/dbraw/zinc/08/40/93/304084093.db2.gz HRLUMWMLOKDVPU-SWLSCSKDSA-N -1 0 305.330 1.003 50 0 DDAARM Cc1cc(C(=O)NCCCCC(=O)[O-])ccc1-n1cncn1 ZINC000237584703 202293298 /nfs/dbraw/zinc/29/32/98/202293298.db2.gz RDALZMSTHTXGEF-UHFFFAOYSA-N -1 0 302.334 1.560 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000237629538 202310174 /nfs/dbraw/zinc/31/01/74/202310174.db2.gz WFYJDMHRUKPEPG-JSGCOSHPSA-N -1 0 316.357 1.281 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000237647416 202317000 /nfs/dbraw/zinc/31/70/00/202317000.db2.gz KALXJUFBBXRJAG-QGZVFWFLSA-N -1 0 314.341 1.325 50 0 DDAARM Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237704467 202333832 /nfs/dbraw/zinc/33/38/32/202333832.db2.gz BSLRIEKFJUVYTI-NSHDSACASA-N -1 0 302.330 1.792 50 0 DDAARM Cn1cc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000237752369 202346023 /nfs/dbraw/zinc/34/60/23/202346023.db2.gz PIZILNLLKXQQSP-LFAOLKIESA-N -1 0 314.341 1.504 50 0 DDAARM CCc1nnsc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192997493 200974322 /nfs/dbraw/zinc/97/43/22/200974322.db2.gz VLCMHQFAKGRTRI-UHFFFAOYSA-N -1 0 309.351 1.369 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000262699128 304102917 /nfs/dbraw/zinc/10/29/17/304102917.db2.gz YIFAXYNGMODAEY-MNOVXSKESA-N -1 0 322.327 1.726 50 0 DDAARM O=C([N-]S(=O)(=O)N=c1[nH]ccs1)c1c[nH]c2ccccc12 ZINC000006661843 181367340 /nfs/dbraw/zinc/36/73/40/181367340.db2.gz XCCKUKVQZWJHHE-UHFFFAOYSA-N -1 0 322.371 1.711 50 0 DDAARM CC[C@]1(C)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000621538485 364902996 /nfs/dbraw/zinc/90/29/96/364902996.db2.gz QVCPDPYKWSLWOD-MRXNPFEDSA-N -1 0 307.346 1.791 50 0 DDAARM CC(C)Nc1ncc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)cn1 ZINC000091526869 193070136 /nfs/dbraw/zinc/07/01/36/193070136.db2.gz UHMUGQXSOVXBFD-QWHCGFSZSA-N -1 0 320.393 1.726 50 0 DDAARM Cc1cc(C)n(CCCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000092078445 193153337 /nfs/dbraw/zinc/15/33/37/193153337.db2.gz LQUPZFDWCQSDOW-LSDHHAIUSA-N -1 0 319.405 1.849 50 0 DDAARM O=C([O-])c1ccn(-c2cccc(CNC(=O)[C@@H]3CCCO3)c2)n1 ZINC000262317390 203260085 /nfs/dbraw/zinc/26/00/85/203260085.db2.gz CDTHVJXHDPTZRO-AWEZNQCLSA-N -1 0 315.329 1.366 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000262566617 203332957 /nfs/dbraw/zinc/33/29/57/203332957.db2.gz LOQXFLSVZSVMDR-CYBMUJFWSA-N -1 0 317.345 1.296 50 0 DDAARM Cc1nc(-c2ccccc2N2CCOCC2)n(CC(=O)[O-])n1 ZINC000096152009 193554001 /nfs/dbraw/zinc/55/40/01/193554001.db2.gz HGCJPVUIHKDAFF-UHFFFAOYSA-N -1 0 302.334 1.175 50 0 DDAARM NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013264894 181840350 /nfs/dbraw/zinc/84/03/50/181840350.db2.gz DQFBPVAAGKBOLE-UHFFFAOYSA-N -1 0 320.326 1.285 50 0 DDAARM CCOc1ccc(C(C)=O)cc1Cc1c([O-])nc(N)[nH]c1=O ZINC000018212920 182098682 /nfs/dbraw/zinc/09/86/82/182098682.db2.gz MOSMCGFUJOWIOS-UHFFFAOYSA-N -1 0 303.318 1.250 50 0 DDAARM CCOC(=O)c1cnc2c(C(=O)[O-])cccc2c1NCCCO ZINC000019793898 182149834 /nfs/dbraw/zinc/14/98/34/182149834.db2.gz AWQDLHDJTGGDBU-UHFFFAOYSA-N -1 0 318.329 1.904 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000159770354 304178479 /nfs/dbraw/zinc/17/84/79/304178479.db2.gz IEOOVZVLACCJQP-CYBMUJFWSA-N -1 0 320.320 1.790 50 0 DDAARM COc1cccc(NC(=O)c2c(C(=O)[O-])cnn2C)c1OC ZINC000020614958 182239301 /nfs/dbraw/zinc/23/93/01/182239301.db2.gz DUYXVVYEDFKLDZ-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000299739020 304187509 /nfs/dbraw/zinc/18/75/09/304187509.db2.gz JPDVQBZGFWTLHD-QWHCGFSZSA-N -1 0 304.346 1.175 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1coc(-c2cccs2)n1 ZINC000268994990 207151101 /nfs/dbraw/zinc/15/11/01/207151101.db2.gz VBXAHLRKFRSUKU-JTQLQIEISA-N -1 0 322.342 1.258 50 0 DDAARM Cc1ccccc1OCCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268996219 207154105 /nfs/dbraw/zinc/15/41/05/207154105.db2.gz WDNIXBNUDNPZQA-ZDUSSCGKSA-N -1 0 307.346 1.466 50 0 DDAARM CC[C@@H](C)NC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000067245504 184456643 /nfs/dbraw/zinc/45/66/43/184456643.db2.gz WJLSAFSLXGVYKF-SNVBAGLBSA-N -1 0 322.390 1.739 50 0 DDAARM O=C([O-])CCCN1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000116391777 194743843 /nfs/dbraw/zinc/74/38/43/194743843.db2.gz MBIALWMJKZLBDD-UHFFFAOYSA-N -1 0 312.316 1.587 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000136131357 257239164 /nfs/dbraw/zinc/23/91/64/257239164.db2.gz YRKOFKNONIYUKS-GFCCVEGCSA-N -1 0 314.341 1.325 50 0 DDAARM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cscn2)o1 ZINC000521396201 257240403 /nfs/dbraw/zinc/24/04/03/257240403.db2.gz HYACRXPIRPNNFA-SNVBAGLBSA-N -1 0 316.404 1.965 50 0 DDAARM O=C([O-])[C@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000226269 406633722 /nfs/dbraw/zinc/63/37/22/406633722.db2.gz RIQLMDXNQFFCCH-KGLIPLIRSA-N -1 0 321.354 1.152 50 0 biogenic DDAARM CS(=O)(=O)CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000001046221 406662840 /nfs/dbraw/zinc/66/28/40/406662840.db2.gz GHCPKVZVAHVNEM-UHFFFAOYSA-N -1 0 318.203 1.737 50 0 DDAARM CCOC(=O)c1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC000002655733 406692397 /nfs/dbraw/zinc/69/23/97/406692397.db2.gz ISCGBFVWBBCFJM-UHFFFAOYSA-N -1 0 315.347 1.006 50 0 DDAARM O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NC1=NCCS1 ZINC000004008555 406718379 /nfs/dbraw/zinc/71/83/79/406718379.db2.gz JRGLKBYYVIQVAH-UHFFFAOYSA-N -1 0 321.446 1.538 50 0 DDAARM O=C([O-])COc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000004898872 406728529 /nfs/dbraw/zinc/72/85/29/406728529.db2.gz RISUWRHELWVNTM-UHFFFAOYSA-N -1 0 321.381 1.316 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000071287558 406837863 /nfs/dbraw/zinc/83/78/63/406837863.db2.gz CFFJYCVUTYAVPH-NXEZZACHSA-N -1 0 310.737 1.734 50 0 DDAARM COC1CCN(S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)CC1 ZINC000013454893 406862719 /nfs/dbraw/zinc/86/27/19/406862719.db2.gz JHZGGFIMNPAQSQ-UHFFFAOYSA-N -1 0 313.375 1.493 50 0 DDAARM Cc1ccccc1CNC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000071916461 406867895 /nfs/dbraw/zinc/86/78/95/406867895.db2.gz HXQCGZKAQVLLMI-UHFFFAOYSA-N -1 0 324.340 1.571 50 0 DDAARM O=C([O-])CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000020405557 406886977 /nfs/dbraw/zinc/88/69/77/406886977.db2.gz RELPKBDHTBXURN-UHFFFAOYSA-N -1 0 323.702 1.960 50 0 DDAARM CCn1ncc(CN(C)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000036624030 406981726 /nfs/dbraw/zinc/98/17/26/406981726.db2.gz NPTZEOQWGAHHSZ-KGLIPLIRSA-N -1 0 305.378 1.837 50 0 DDAARM Cc1cccc([N-]S(=O)(=O)c2cc3c(=O)[nH]nc(C)n3c2)c1 ZINC000075536525 406935152 /nfs/dbraw/zinc/93/51/52/406935152.db2.gz GPDYJXODPRKABL-UHFFFAOYSA-N -1 0 318.358 1.440 50 0 DDAARM C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)[O-])C1=O ZINC000037011688 406985429 /nfs/dbraw/zinc/98/54/29/406985429.db2.gz AWRMUZRVVDNNTD-LBPRGKRZSA-N -1 0 317.128 1.845 50 0 DDAARM Cn1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC000087767967 407120704 /nfs/dbraw/zinc/12/07/04/407120704.db2.gz DZGICVFIHJJRTA-PWSUYJOCSA-N -1 0 312.391 1.677 50 0 DDAARM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2cscn2)cc1F ZINC000089570504 407140302 /nfs/dbraw/zinc/14/03/02/407140302.db2.gz VULVULNKIZPEKG-UHFFFAOYSA-N -1 0 318.326 1.848 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H](C)c3nc[nH]n3)c12 ZINC000055325365 407200194 /nfs/dbraw/zinc/20/01/94/407200194.db2.gz USDWBNISUPFSGL-ZCFIWIBFSA-N -1 0 304.335 1.989 50 0 DDAARM C[C@H](CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)[O-] ZINC000095970490 407218630 /nfs/dbraw/zinc/21/86/30/407218630.db2.gz HPNFVWVSYQBBMV-VXGBXAGGSA-N -1 0 322.361 1.311 50 0 DDAARM COc1ccccc1/C(C)=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000095970731 407218955 /nfs/dbraw/zinc/21/89/55/407218955.db2.gz SWDNJRUGYYJFMQ-SRXBQZRASA-N -1 0 319.357 1.801 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000095977427 407219192 /nfs/dbraw/zinc/21/91/92/407219192.db2.gz ALRYHTYREJLIQX-UHFFFAOYSA-N -1 0 313.354 1.896 50 0 DDAARM COc1cc(CN2CCOC[C@@H]2CC(=O)[O-])cc2c1OCO2 ZINC000097088467 407279597 /nfs/dbraw/zinc/27/95/97/407279597.db2.gz CODCIDSKMOLTDK-NSHDSACASA-N -1 0 309.318 1.099 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cccnc2N(C)C)c1C ZINC000097164901 407284804 /nfs/dbraw/zinc/28/48/04/407284804.db2.gz FGKFZMDGBCPLJM-UHFFFAOYSA-N -1 0 323.422 1.782 50 0 DDAARM O=C([O-])CCn1cc(CN2CCN(c3cccnc3)CC2)cn1 ZINC000097655562 407301238 /nfs/dbraw/zinc/30/12/38/407301238.db2.gz JCUWXQOPAFQOPC-UHFFFAOYSA-N -1 0 315.377 1.075 50 0 DDAARM COc1ccc2c(c1)CCN(Cc1cnn(CCC(=O)[O-])c1)C2 ZINC000097660689 407301329 /nfs/dbraw/zinc/30/13/29/407301329.db2.gz GSDAIVNKTQCOBV-UHFFFAOYSA-N -1 0 315.373 1.925 50 0 DDAARM C[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000124752386 407368571 /nfs/dbraw/zinc/36/85/71/407368571.db2.gz JOKYFJOUWGBEDF-SMDDNHRTSA-N -1 0 309.337 1.706 50 0 DDAARM COc1ccsc1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649772 407463049 /nfs/dbraw/zinc/46/30/49/407463049.db2.gz WZXNZGRFJJSXKC-UHFFFAOYSA-N -1 0 302.333 1.005 50 0 DDAARM CN(CC(=O)NC1(CC(=O)[O-])CCCCC1)Cc1cccnc1 ZINC000220537099 407540042 /nfs/dbraw/zinc/54/00/42/407540042.db2.gz MVLUIWXMDMCCEE-UHFFFAOYSA-N -1 0 319.405 1.807 50 0 DDAARM O=C(c1cccc(F)c1[O-])N1CCCC[C@H]1CN1CCOCC1 ZINC000220549751 407540843 /nfs/dbraw/zinc/54/08/43/407540843.db2.gz KXQVPZFKEGWXJR-ZDUSSCGKSA-N -1 0 322.380 1.858 50 0 DDAARM CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000236810452 407776913 /nfs/dbraw/zinc/77/69/13/407776913.db2.gz REGROXUZLTWQFF-MRVPVSSYSA-N -1 0 324.299 1.157 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1cc(-c2ccccc2)on1 ZINC000238068811 407884624 /nfs/dbraw/zinc/88/46/24/407884624.db2.gz SZOHHINDGLEMPZ-ZDUSSCGKSA-N -1 0 300.314 1.960 50 0 DDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000263189469 408051443 /nfs/dbraw/zinc/05/14/43/408051443.db2.gz XQSGPBGICCXEIJ-MNOVXSKESA-N -1 0 309.366 1.248 50 0 DDAARM Cc1ocnc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263003157 407998440 /nfs/dbraw/zinc/99/84/40/407998440.db2.gz KYHWGBDTFFKSFU-SECBINFHSA-N -1 0 304.302 1.937 50 0 DDAARM CNc1nc(C)cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000263461623 408145582 /nfs/dbraw/zinc/14/55/82/408145582.db2.gz VTRPCCSOTRRLQL-NSHDSACASA-N -1 0 306.366 1.544 50 0 DDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000263463297 408145851 /nfs/dbraw/zinc/14/58/51/408145851.db2.gz CFYWBWYQGCHFEZ-JQWIXIFHSA-N -1 0 322.336 1.267 50 0 DDAARM O=C([O-])COc1cccc(C(=O)N2CCOC[C@@H]2C2CC2)c1 ZINC000263518045 408161871 /nfs/dbraw/zinc/16/18/71/408161871.db2.gz FRYNASCJNLFISV-CQSZACIVSA-N -1 0 305.330 1.401 50 0 DDAARM C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000165374046 408810390 /nfs/dbraw/zinc/81/03/90/408810390.db2.gz MQVABVVGUYKPIS-AAEUAGOBSA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCNC(=O)C2CCCCC2)C1 ZINC000165495017 408811383 /nfs/dbraw/zinc/81/13/83/408811383.db2.gz DRWSUWCFLLLSET-CYBMUJFWSA-N -1 0 310.394 1.396 50 0 DDAARM Cn1nc(CC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000263159890 163923354 /nfs/dbraw/zinc/92/33/54/163923354.db2.gz IFKQQFZGKIAGME-UHFFFAOYSA-N -1 0 315.373 1.875 50 0 DDAARM COCC1(CNC(=O)c2cc(OC)cc(C(=O)[O-])c2)CCC1 ZINC000299762573 410611171 /nfs/dbraw/zinc/61/11/71/410611171.db2.gz XHKSNWPXSQLPIG-UHFFFAOYSA-N -1 0 307.346 1.940 50 0 DDAARM Cc1ccsc1C(=O)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990468 418495487 /nfs/dbraw/zinc/49/54/87/418495487.db2.gz AUTQKJWUORSZIP-UHFFFAOYSA-N -1 0 314.370 1.591 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)COCCOc2ccccc2)C1 ZINC000262414714 222279067 /nfs/dbraw/zinc/27/90/67/222279067.db2.gz JTGDGFHSNPCRMO-ZDUSSCGKSA-N -1 0 307.346 1.405 50 0 DDAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000426493904 419485219 /nfs/dbraw/zinc/48/52/19/419485219.db2.gz CRLFGQOZOPLTPU-ZDUSSCGKSA-N -1 0 314.345 1.383 50 0 DDAARM O=C([O-])C[C@H](NC(=O)CN1CCCCC1=O)c1ccccc1 ZINC000426551298 419507549 /nfs/dbraw/zinc/50/75/49/419507549.db2.gz NTYDHINKJBTJAG-ZDUSSCGKSA-N -1 0 304.346 1.331 50 0 DDAARM O=C([O-])c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cn1 ZINC000299746012 229385915 /nfs/dbraw/zinc/38/59/15/229385915.db2.gz USHVSWSNIWWSKQ-UHFFFAOYSA-N -1 0 314.297 1.481 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000299753067 229398558 /nfs/dbraw/zinc/39/85/58/229398558.db2.gz WRVGGURQXAMGAE-GFCCVEGCSA-N -1 0 307.346 1.848 50 0 DDAARM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])n1ccc(C(F)(F)F)n1 ZINC000630172933 421936766 /nfs/dbraw/zinc/93/67/66/421936766.db2.gz QFEBPWBKRGPATH-HTQZYQBOSA-N -1 0 305.256 1.539 50 0 DDAARM CC1(C)CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC[S@@]1=O ZINC000585119805 422307459 /nfs/dbraw/zinc/30/74/59/422307459.db2.gz 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ZINC000020607269 301137811 /nfs/dbraw/zinc/13/78/11/301137811.db2.gz HBCBDBLSKJQBLL-LDYMZIIASA-N -1 0 316.361 1.228 50 0 DDAARM Cc1ccn2c(c1)ncc(C(=O)N1CCCC[C@H]1C(=O)[O-])c2=O ZINC000299640184 302259642 /nfs/dbraw/zinc/25/96/42/302259642.db2.gz QFXFVTPFCJVVRR-LBPRGKRZSA-N -1 0 315.329 1.082 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])s1 ZINC000299749890 303342800 /nfs/dbraw/zinc/34/28/00/303342800.db2.gz LYVRAEWRNRQHLT-BBBLOLIVSA-N -1 0 322.386 1.705 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cc(C)ncn1 ZINC000581588419 325879713 /nfs/dbraw/zinc/87/97/13/325879713.db2.gz YLHYQJVRPNHBJU-UHFFFAOYSA-N -1 0 315.329 1.464 50 0 DDAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000097164228 484019253 /nfs/dbraw/zinc/01/92/53/484019253.db2.gz PCYCZBAFUJQDOI-UHFFFAOYSA-N -1 0 314.436 2.418 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](Nc2nc(-c3ccccc3)ns2)[C@@H](O)C1 ZINC000662898082 484529912 /nfs/dbraw/zinc/52/99/12/484529912.db2.gz RRFSYJJJCHTOKO-AXFHLTTASA-N -1 0 305.359 1.841 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1CCCO[C@H]1C ZINC000668285596 485077808 /nfs/dbraw/zinc/07/78/08/485077808.db2.gz MQOLRHCUNZHLKH-FZMZJTMJSA-N -1 0 321.373 1.867 50 0 DDAARM O=C([O-])[C@H](NS(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000314375175 534531669 /nfs/dbraw/zinc/53/16/69/534531669.db2.gz SJWFNBMWYUUPDJ-OAHLLOKOSA-N -1 0 319.382 1.974 50 0 DDAARM CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000299740755 526680628 /nfs/dbraw/zinc/68/06/28/526680628.db2.gz BPVBZQHJHYIHKE-STQMWFEESA-N -1 0 322.386 1.240 50 0 DDAARM CCOc1cc(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1OC ZINC000299747698 528258042 /nfs/dbraw/zinc/25/80/42/528258042.db2.gz DSBRHDLNDIZXKX-OLZOCXBDSA-N -1 0 321.373 1.863 50 0 DDAARM CC(C)C[C@H](C)OCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299752385 528482820 /nfs/dbraw/zinc/48/28/20/528482820.db2.gz TYTZCDRYOMJEQG-STQMWFEESA-N -1 0 301.383 1.530 50 0 DDAARM CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299746402 529245575 /nfs/dbraw/zinc/24/55/75/529245575.db2.gz XDIJEAJZAOVFFJ-KGLIPLIRSA-N -1 0 307.346 1.464 50 0 DDAARM O=C([O-])C1(NC(=O)c2cc(Br)ccc2F)CC1 ZINC000203652202 563822386 /nfs/dbraw/zinc/82/23/86/563822386.db2.gz OPEZJFDTAKISDI-UHFFFAOYSA-N -1 0 302.099 1.935 50 0 DDAARM CCc1nc(C)ncc1C(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000169989257 563902355 /nfs/dbraw/zinc/90/23/55/563902355.db2.gz JMOSPAAFISGANX-UHFFFAOYSA-N -1 0 319.386 1.775 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C2CC2)cnn1C ZINC000888100755 709213617 /nfs/dbraw/zinc/21/36/17/709213617.db2.gz OAORQNKDUIEZMF-VIFPVBQESA-N -1 0 315.395 1.171 50 0 DDAARM CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)[O-])cnn2c1 ZINC000642882247 757148625 /nfs/dbraw/zinc/14/86/25/757148625.db2.gz JDGMODJMWJDCEC-UHFFFAOYSA-N -1 0 306.322 1.495 50 0 DDAARM CN(C1CCCCC1)S(=O)(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000250363972 539274403 /nfs/dbraw/zinc/27/44/03/539274403.db2.gz FHQLHPQNNQORHP-LBPRGKRZSA-N -1 0 304.412 1.435 50 0 DDAARM COc1cccc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1F ZINC000263196949 539275972 /nfs/dbraw/zinc/27/59/72/539275972.db2.gz ULZIUSKFZVVSFJ-LBPRGKRZSA-N -1 0 311.309 1.079 50 0 DDAARM CC(=O)N[C@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCC1 ZINC000236679496 201960930 /nfs/dbraw/zinc/96/09/30/201960930.db2.gz SUKANTXIIFXWSM-BBRMVZONSA-N -1 0 324.421 1.785 50 0 DDAARM COc1cc2c(cc1CN1CCOC[C@H]1CC(=O)[O-])CCC2 ZINC000072152826 191058387 /nfs/dbraw/zinc/05/83/87/191058387.db2.gz MWKYIUXNJZBLQD-OAHLLOKOSA-N -1 0 305.374 1.859 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237457754 186292090 /nfs/dbraw/zinc/29/20/90/186292090.db2.gz ZXQIBMURVJONNL-HWPZZCPQSA-N -1 0 307.394 1.539 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)NC2CCCC2)CC1 ZINC000072407171 191152702 /nfs/dbraw/zinc/15/27/02/191152702.db2.gz XYYVWUWDACMHII-UHFFFAOYSA-N -1 0 306.366 1.411 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cscn3)CC2)c1 ZINC000072409238 191154275 /nfs/dbraw/zinc/15/42/75/191154275.db2.gz JTWDAOJGTNQDFH-UHFFFAOYSA-N -1 0 320.374 1.364 50 0 DDAARM CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000079105414 353550255 /nfs/dbraw/zinc/55/02/55/353550255.db2.gz WYSVQRRGTDZPOE-UHFFFAOYSA-N -1 0 313.360 1.516 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000003281818 181000235 /nfs/dbraw/zinc/00/02/35/181000235.db2.gz PAUCQAGPQVWROA-JTQLQIEISA-N -1 0 307.368 1.310 50 0 DDAARM O=C([O-])C[C@H](NC(=O)c1cnc(-c2ncccn2)s1)C1CC1 ZINC000089884850 353781415 /nfs/dbraw/zinc/78/14/15/353781415.db2.gz JIWIYLISAPQDKI-VIFPVBQESA-N -1 0 318.358 1.583 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OC)c(OC)c2)cn1 ZINC000004594289 181128012 /nfs/dbraw/zinc/12/80/12/181128012.db2.gz OZGYBWJKIIWADV-UHFFFAOYSA-N -1 0 311.363 1.721 50 0 DDAARM CC(C)[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000004748858 181147654 /nfs/dbraw/zinc/14/76/54/181147654.db2.gz JZIZZRJRPLHFIN-JTQLQIEISA-N -1 0 309.746 1.867 50 0 DDAARM CC[C@H](CNc1nc(C)[n-]c(=O)c1Cl)N1CCOCC1 ZINC000584901480 354800880 /nfs/dbraw/zinc/80/08/80/354800880.db2.gz MOJWTHJDPYFKOJ-SNVBAGLBSA-N -1 0 300.790 1.667 50 0 DDAARM CCCS(=O)(=O)n1nc([O-])c2cc(Br)cnc21 ZINC000585136439 354812918 /nfs/dbraw/zinc/81/29/18/354812918.db2.gz GDXQIPGHZMBZHJ-UHFFFAOYSA-N -1 0 320.168 1.487 50 0 DDAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)NCc1ccccc1 ZINC000004978044 181182766 /nfs/dbraw/zinc/18/27/66/181182766.db2.gz NZSKLZIUWKPNGH-CQSZACIVSA-N -1 0 302.330 1.529 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2CCSC2=O)cc1 ZINC000005545593 181255544 /nfs/dbraw/zinc/25/55/44/181255544.db2.gz WQKUURKVGDYWJD-JTQLQIEISA-N -1 0 314.388 1.015 50 0 DDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccccn1 ZINC000005693091 181273697 /nfs/dbraw/zinc/27/36/97/181273697.db2.gz XECXFNCCKQJIEL-UHFFFAOYSA-N -1 0 314.297 1.204 50 0 DDAARM CN(CCOc1ccccc1F)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237197134 202185127 /nfs/dbraw/zinc/18/51/27/202185127.db2.gz USRKKLFWPTZYOH-ZDUSSCGKSA-N -1 0 324.352 1.212 50 0 DDAARM Cn1cc(C(=O)N2C[C@@H](c3ccccc3)C[C@H](C(=O)[O-])C2)cn1 ZINC000180348553 199149102 /nfs/dbraw/zinc/14/91/02/199149102.db2.gz RMLHBRFDYWZWOQ-KBPBESRZSA-N -1 0 313.357 1.751 50 0 DDAARM C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237522411 202270890 /nfs/dbraw/zinc/27/08/90/202270890.db2.gz LPHZNFUUYLTDIF-BXUZGUMPSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1ccc(N2C[C@@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)c(F)c1 ZINC000237647443 202316571 /nfs/dbraw/zinc/31/65/71/202316571.db2.gz FPNNFFZAVVBKPL-JTQLQIEISA-N -1 0 320.320 1.220 50 0 DDAARM Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3C(=O)[O-])CC2)nc1 ZINC000237874584 202375336 /nfs/dbraw/zinc/37/53/36/202375336.db2.gz KYBJOWNNICAWHS-CQSZACIVSA-N -1 0 317.389 1.682 50 0 DDAARM Cc1ccc2cc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)[nH]c2c1 ZINC000237888788 202380782 /nfs/dbraw/zinc/38/07/82/202380782.db2.gz AVIYZSPFRJYYAG-GFCCVEGCSA-N -1 0 302.330 1.792 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCO1 ZINC000238218311 202450212 /nfs/dbraw/zinc/45/02/12/202450212.db2.gz NPXPUMYYBKQPDS-CABCVRRESA-N -1 0 316.357 1.849 50 0 DDAARM Cc1cc(C)cc(N(CC(=O)[O-])S(=O)(=O)c2cccnc2)c1 ZINC000006034466 181306990 /nfs/dbraw/zinc/30/69/90/181306990.db2.gz MJVLAWOYHOZTFK-UHFFFAOYSA-N -1 0 320.370 1.978 50 0 DDAARM Cc1ccnc([N-]S(=O)(=O)c2cccc3nsnc32)n1 ZINC000006373286 181335228 /nfs/dbraw/zinc/33/52/28/181335228.db2.gz GGDVTTNFCHETMR-UHFFFAOYSA-N -1 0 307.360 1.591 50 0 DDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 ZINC000194451609 201229730 /nfs/dbraw/zinc/22/97/30/201229730.db2.gz PLSPRQXIPZVVAG-HOSYDEDBSA-N -1 0 302.330 1.482 50 0 DDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCC[C@@H]1CCO ZINC000194552375 201250620 /nfs/dbraw/zinc/25/06/20/201250620.db2.gz RXXSKPCMRYAPHN-VWYCJHECSA-N -1 0 324.343 1.357 50 0 DDAARM C[C@@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C(C)(F)F ZINC000263042043 296070979 /nfs/dbraw/zinc/07/09/79/296070979.db2.gz LZJMDXYEGXECDE-FSDSQADBSA-N -1 0 318.242 1.935 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)c[nH]1 ZINC000006779771 181386650 /nfs/dbraw/zinc/38/66/50/181386650.db2.gz LOGBBKLXXMYCNL-UHFFFAOYSA-N -1 0 310.331 1.611 50 0 DDAARM CCCN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1COc2ccccc2O1 ZINC000091538356 193070934 /nfs/dbraw/zinc/07/09/34/193070934.db2.gz RRBSKSHXRHCPTQ-LLVKDONJSA-N -1 0 304.350 1.562 50 0 DDAARM Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091562752 193073959 /nfs/dbraw/zinc/07/39/59/193073959.db2.gz COABYALZDMXVJU-UONOGXRCSA-N -1 0 305.378 1.528 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COCC(F)(F)F ZINC000223851481 304140672 /nfs/dbraw/zinc/14/06/72/304140672.db2.gz ZFRJOQNNPZPRJL-GUBZILKMSA-N -1 0 309.284 1.810 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262352059 203270556 /nfs/dbraw/zinc/27/05/56/203270556.db2.gz BPQVFBZANPPMQR-KKZNHRDASA-N -1 0 322.748 1.282 50 0 DDAARM CCc1ccccc1OCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262697385 203386236 /nfs/dbraw/zinc/38/62/36/203386236.db2.gz BMEYCRHLYRFOMZ-CYBMUJFWSA-N -1 0 307.346 1.330 50 0 DDAARM Cc1ocnc1CNC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000262725462 203393828 /nfs/dbraw/zinc/39/38/28/203393828.db2.gz GJWIRFNABSPLID-UHFFFAOYSA-N -1 0 318.329 1.993 50 0 DDAARM CC(=O)NCCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095380957 193439459 /nfs/dbraw/zinc/43/94/59/193439459.db2.gz SITOSVKPRHPQAQ-HNNXBMFYSA-N -1 0 318.373 1.617 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1)C1CC1 ZINC000095970323 193467245 /nfs/dbraw/zinc/46/72/45/193467245.db2.gz QEEWIIPMUFRHQE-CYBMUJFWSA-N -1 0 317.320 1.995 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@H]2CSc3ccccc32)CCSC1 ZINC000092237632 304164597 /nfs/dbraw/zinc/16/45/97/304164597.db2.gz YJARHYAWNMTBCX-IINYFYTJSA-N -1 0 309.412 1.952 50 0 DDAARM COc1ccc(Cl)cc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012809923 181800640 /nfs/dbraw/zinc/80/06/40/181800640.db2.gz NUQUMTGSCCMEMC-UHFFFAOYSA-N -1 0 323.736 1.227 50 0 DDAARM O=C([O-])c1cccc(NC(=O)C[C@@H]2SC3=NCCN3C2=O)c1 ZINC000016899436 182062190 /nfs/dbraw/zinc/06/21/90/182062190.db2.gz BLGMWDUULFZBFM-JTQLQIEISA-N -1 0 319.342 1.027 50 0 DDAARM COc1cccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)c1 ZINC000018056486 182090970 /nfs/dbraw/zinc/09/09/70/182090970.db2.gz ILFYUEGKFFCKMZ-UHFFFAOYSA-N -1 0 306.347 1.625 50 0 DDAARM C[C@@H](c1n[nH]c(=O)[n-]1)n1cnc2sc3c(c2c1=O)CCCC3 ZINC000032581787 296244972 /nfs/dbraw/zinc/24/49/72/296244972.db2.gz LNXNQFNNYOBAAA-ZETCQYMHSA-N -1 0 317.374 1.358 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-] ZINC000041091245 183164246 /nfs/dbraw/zinc/16/42/46/183164246.db2.gz CFNFBTSEGBUPDR-LLVKDONJSA-N -1 0 321.395 1.619 50 0 DDAARM CS(=O)(=O)[N-]C(=O)c1ccc(COCC(F)(F)F)cc1 ZINC000042279612 183249808 /nfs/dbraw/zinc/24/98/08/183249808.db2.gz QAKRXLVVHPUDNZ-UHFFFAOYSA-N -1 0 311.281 1.455 50 0 DDAARM COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268915613 207083463 /nfs/dbraw/zinc/08/34/63/207083463.db2.gz POHNSZQKJXUCNI-VXGBXAGGSA-N -1 0 321.329 1.111 50 0 DDAARM Cc1noc(CNC(=O)c2csc([N-]c3ncccn3)n2)n1 ZINC000056907628 184021228 /nfs/dbraw/zinc/02/12/28/184021228.db2.gz YAOYIPLLLOOXRP-UHFFFAOYSA-N -1 0 317.334 1.298 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCOc1ccc(F)cc1 ZINC000268986430 207145893 /nfs/dbraw/zinc/14/58/93/207145893.db2.gz QHCWJOSTELXXSX-ZDUSSCGKSA-N -1 0 311.309 1.297 50 0 DDAARM COc1ccccc1CCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269021056 207169998 /nfs/dbraw/zinc/16/99/98/207169998.db2.gz IEFRFKNXBROSPG-CYBMUJFWSA-N -1 0 307.346 1.330 50 0 DDAARM CCOc1ccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000269041462 207191228 /nfs/dbraw/zinc/19/12/28/207191228.db2.gz RCHDJIAJRCADNK-CQSZACIVSA-N -1 0 307.346 1.330 50 0 DDAARM Cc1ccccc1[N-]S(=O)(=O)c1cc2c(=O)n(C)ncn2c1 ZINC000065246747 184318156 /nfs/dbraw/zinc/31/81/56/184318156.db2.gz INBGZODIENQPRH-UHFFFAOYSA-N -1 0 318.358 1.142 50 0 DDAARM O=C([O-])c1nnn(-c2ccc3c(c2)OCCO3)c1-c1cccnc1 ZINC000065288241 184322317 /nfs/dbraw/zinc/32/23/17/184322317.db2.gz OVILWVXHYZHIKU-UHFFFAOYSA-N -1 0 324.296 1.799 50 0 DDAARM CC(C)(C)c1ncc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000236635769 257239415 /nfs/dbraw/zinc/23/94/15/257239415.db2.gz FXTGSDGFZGLXJS-ZWNMCFTASA-N -1 0 324.402 1.766 50 0 DDAARM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000372952337 257260864 /nfs/dbraw/zinc/26/08/64/257260864.db2.gz IIFBMSBFFGWVBD-UWVGGRQHSA-N -1 0 322.327 1.614 50 0 DDAARM O=C(NCC1(O)CCOCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000074197325 184964799 /nfs/dbraw/zinc/96/47/99/184964799.db2.gz UKSXVLHLFCRTDX-UHFFFAOYSA-N -1 0 308.359 1.762 50 0 DDAARM CCS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000019735951 134636027 /nfs/dbraw/zinc/63/60/27/134636027.db2.gz JAYGQEIXBNRNLG-SNVBAGLBSA-N -1 0 315.366 1.920 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000223100337 407565464 /nfs/dbraw/zinc/56/54/64/407565464.db2.gz JHOPMYVRGIGNHZ-ZFWWWQNUSA-N -1 0 321.373 1.939 50 0 DDAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000053904 406618264 /nfs/dbraw/zinc/61/82/64/406618264.db2.gz CGRCVIZBNRUWLY-OAHLLOKOSA-N -1 0 319.382 1.969 50 0 biogenic,in-vitro DDAARM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000000166158 406625960 /nfs/dbraw/zinc/62/59/60/406625960.db2.gz AFNBBRUKSKERPY-AWEZNQCLSA-N -1 0 321.354 1.799 50 0 DDAARM COC(=O)c1ccccc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000001282317 406666314 /nfs/dbraw/zinc/66/63/14/406666314.db2.gz KXNSGJKSBFWZSG-UHFFFAOYSA-N -1 0 320.330 1.095 50 0 DDAARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C)C2=O)cc1 ZINC000001233256 406666412 /nfs/dbraw/zinc/66/64/12/406666412.db2.gz GVQWGJYEFBMINP-JLHYYAGUSA-N -1 0 301.346 1.624 50 0 DDAARM CCOC(=O)COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000002488655 406687666 /nfs/dbraw/zinc/68/76/66/406687666.db2.gz MJQZSWSYPVCYIT-WCQYABFASA-N -1 0 311.359 1.417 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000069810654 406774393 /nfs/dbraw/zinc/77/43/93/406774393.db2.gz VLKKLLOTICRZSS-GFCCVEGCSA-N -1 0 317.794 1.969 50 0 DDAARM O=C([O-])CCCCCNC(=O)N1CC(=O)Nc2ccccc21 ZINC000009418732 406809486 /nfs/dbraw/zinc/80/94/86/406809486.db2.gz FZKNVANMULWFQS-UHFFFAOYSA-N -1 0 305.334 1.800 50 0 DDAARM CCOc1ccc(C(=O)Nc2c(N)nc(SC)[n-]c2=O)cc1 ZINC000011363912 406826623 /nfs/dbraw/zinc/82/66/23/406826623.db2.gz HZHJYEJUVMJUMO-UHFFFAOYSA-N -1 0 320.374 1.725 50 0 DDAARM CCc1ccccc1NC(=O)C[C@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022584882 406889959 /nfs/dbraw/zinc/88/99/59/406889959.db2.gz WSNGTUDKBVJLEL-OAHLLOKOSA-N -1 0 319.405 1.278 50 0 DDAARM CSc1nc2n(n1)[C@@H](c1ccc(O)cc1)CC(C(=O)[O-])=N2 ZINC000012389678 406844312 /nfs/dbraw/zinc/84/43/12/406844312.db2.gz WEWWJBGNXFJGTI-SNVBAGLBSA-N -1 0 304.331 1.689 50 0 DDAARM CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000032646506 406950412 /nfs/dbraw/zinc/95/04/12/406950412.db2.gz LQAGAVSJXNRMRS-BXUZGUMPSA-N -1 0 304.346 1.265 50 0 DDAARM CCCCN(C)c1ccc(NS(C)(=O)=O)cc1C(=O)[O-] ZINC000033253356 406960835 /nfs/dbraw/zinc/96/08/35/406960835.db2.gz HVKUSWNVOPGOCW-UHFFFAOYSA-N -1 0 300.380 1.993 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1ccc(F)cc1C)C(=O)[O-] ZINC000037375330 406988352 /nfs/dbraw/zinc/98/83/52/406988352.db2.gz MOXOTROQGQBOCX-JTQLQIEISA-N -1 0 321.395 1.619 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000085321196 407099057 /nfs/dbraw/zinc/09/90/57/407099057.db2.gz IZMWUPTZIGFULR-BDAKNGLRSA-N -1 0 313.151 1.827 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2Cc3ccccc3O2)n1 ZINC000090932512 407172367 /nfs/dbraw/zinc/17/23/67/407172367.db2.gz OTEHIWSDQXWMSW-NSHDSACASA-N -1 0 304.327 1.461 50 0 DDAARM Cc1nn(-c2ccc(C)cc2C)nc1C(=O)NCCCC(=O)[O-] ZINC000095348421 407207304 /nfs/dbraw/zinc/20/73/04/407207304.db2.gz ZARPQVVMXOQGET-UHFFFAOYSA-N -1 0 316.361 1.787 50 0 DDAARM CCc1nc2ccccc2n1[C@H](CC)C(=O)NCc1nnn[n-]1 ZINC000095383761 407211729 /nfs/dbraw/zinc/21/17/29/407211729.db2.gz GYPZHOYHBNWZGX-LLVKDONJSA-N -1 0 313.365 1.379 50 0 DDAARM CC(=O)N[C@@H](CC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000095970746 407218442 /nfs/dbraw/zinc/21/84/42/407218442.db2.gz XMZXFSGOJZOZKX-ZDUSSCGKSA-N -1 0 306.362 1.481 50 0 DDAARM CCC[C@](C)(NC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)[O-] ZINC000095989402 407220930 /nfs/dbraw/zinc/22/09/30/407220930.db2.gz VWMCLNKBFVOLNO-INIZCTEOSA-N -1 0 316.361 1.569 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2nc3ccccn3n2)c1 ZINC000097164252 407284834 /nfs/dbraw/zinc/28/48/34/407284834.db2.gz BQPSOVOKPPQYSH-UHFFFAOYSA-N -1 0 306.351 1.308 50 0 DDAARM CC(=O)N1CCCC[C@@H]1c1nc(-c2ccco2)nn1CC(=O)[O-] ZINC000097785448 407303201 /nfs/dbraw/zinc/30/32/01/407303201.db2.gz UOUJBQOQJHVPLF-LLVKDONJSA-N -1 0 318.333 1.696 50 0 DDAARM COc1ccc([C@]2(C(=O)NCc3nnn[n-]3)CC2(C)C)cc1 ZINC000216339239 407495107 /nfs/dbraw/zinc/49/51/07/407495107.db2.gz XGWONGITDRAZJH-HNNXBMFYSA-N -1 0 301.350 1.192 50 0 DDAARM O=C([O-])C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC000170596121 407445159 /nfs/dbraw/zinc/44/51/59/407445159.db2.gz NKLCCSVKFRUSCE-UHFFFAOYSA-N -1 0 312.631 1.333 50 0 DDAARM Cn1c(=O)oc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc21 ZINC000170621009 407457548 /nfs/dbraw/zinc/45/75/48/407457548.db2.gz QAVKTNXWQGKQCU-WDEREUQCSA-N -1 0 316.313 1.737 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F ZINC000225405987 407581313 /nfs/dbraw/zinc/58/13/13/407581313.db2.gz BGVTVHZJUQQBNU-UHFFFAOYSA-N -1 0 313.253 1.534 50 0 DDAARM Cc1cccc([C@H](NC(=O)c2cc(=O)cc(C)o2)C(=O)[O-])c1 ZINC000221244452 407544686 /nfs/dbraw/zinc/54/46/86/407544686.db2.gz ISQSUDQDJNYSIH-AWEZNQCLSA-N -1 0 301.298 1.812 50 0 DDAARM Cc1ccc(C)c(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000129504958 407612355 /nfs/dbraw/zinc/61/23/55/407612355.db2.gz MIHNIAMBDAQFOW-LBPRGKRZSA-N -1 0 313.375 1.168 50 0 DDAARM O=C(Cc1n[nH]c2ccccc12)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000237961823 407857988 /nfs/dbraw/zinc/85/79/88/407857988.db2.gz BKNCPFRIPRYBMG-MRXNPFEDSA-N -1 0 323.352 1.918 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(-n3cncn3)c(F)c2)CCCC1 ZINC000237981204 407861648 /nfs/dbraw/zinc/86/16/48/407861648.db2.gz CDHSOQRJVDTXAN-UHFFFAOYSA-N -1 0 318.308 1.534 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCO1 ZINC000238050125 407878435 /nfs/dbraw/zinc/87/84/35/407878435.db2.gz ZXZZGKVZWRFPPM-AWEZNQCLSA-N -1 0 303.358 1.711 50 0 DDAARM O=C([O-])CN(C(=O)c1cc2c(s1)CCC2)C1CCOCC1 ZINC000238112262 407890110 /nfs/dbraw/zinc/89/01/10/407890110.db2.gz HIHMKTQHDQZYHK-UHFFFAOYSA-N -1 0 309.387 1.943 50 0 DDAARM C[C@@H](NC(=O)c1cccn1C)c1ccc(OCC(=O)[O-])cc1 ZINC000262948876 407979632 /nfs/dbraw/zinc/97/96/32/407979632.db2.gz HEDNZKBZURPQAI-LLVKDONJSA-N -1 0 302.330 1.980 50 0 DDAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2nn(C)cc2Cl)C1 ZINC000263147879 408037852 /nfs/dbraw/zinc/03/78/52/408037852.db2.gz FDIJPMMBSNZYNR-BDAKNGLRSA-N -1 0 314.773 1.326 50 0 DDAARM Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263202261 408057247 /nfs/dbraw/zinc/05/72/47/408057247.db2.gz XMHYXQHWMQQIOJ-CABZTGNLSA-N -1 0 319.361 1.668 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000136127908 408078538 /nfs/dbraw/zinc/07/85/38/408078538.db2.gz VSQFOPQSEYVLCD-SNVBAGLBSA-N -1 0 318.308 1.343 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000136128874 408079204 /nfs/dbraw/zinc/07/92/04/408079204.db2.gz FMMPHDSGFPLPPQ-SNVBAGLBSA-N -1 0 320.374 1.325 50 0 DDAARM C[C@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000154936019 408104950 /nfs/dbraw/zinc/10/49/50/408104950.db2.gz PAEQGWYVRVTOLK-CMPLNLGQSA-N -1 0 302.330 1.161 50 0 DDAARM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000263371724 408121386 /nfs/dbraw/zinc/12/13/86/408121386.db2.gz YNKCZVOTCZOLSI-AWEZNQCLSA-N -1 0 317.320 1.913 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000158495488 408340945 /nfs/dbraw/zinc/34/09/45/408340945.db2.gz GVHKMKBDOWHKAF-LSDHHAIUSA-N -1 0 318.373 1.720 50 0 DDAARM O=C([O-])CC[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1 ZINC000261846099 163714358 /nfs/dbraw/zinc/71/43/58/163714358.db2.gz DAQNEFSTTSZCSE-CYBMUJFWSA-N -1 0 310.394 1.492 50 0 DDAARM CCC[C@@H](NC(=O)C1=Cc2cccc(OC)c2OC1)C(=O)[O-] ZINC000262108006 163769072 /nfs/dbraw/zinc/76/90/72/163769072.db2.gz GKDITNFVLGUXFX-GFCCVEGCSA-N -1 0 305.330 1.841 50 0 DDAARM Cc1ncn(C)c1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000299801608 410637031 /nfs/dbraw/zinc/63/70/31/410637031.db2.gz ZIEYVFCSZKFPGS-KRWDZBQOSA-N -1 0 313.357 1.597 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(F)cc2Cl)CCOCC1 ZINC000131750851 196195868 /nfs/dbraw/zinc/19/58/68/196195868.db2.gz NYBJHODRGDBOJS-UHFFFAOYSA-N -1 0 301.701 1.843 50 0 DDAARM Cc1ccc2oc(C(=O)N(CC(=O)[O-])C3CCOCC3)cc2n1 ZINC000408519103 418806776 /nfs/dbraw/zinc/80/67/76/418806776.db2.gz FGBJEKJIDRJMLX-UHFFFAOYSA-N -1 0 318.329 1.842 50 0 DDAARM Cc1cccc2cc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])oc21 ZINC000426477649 419482845 /nfs/dbraw/zinc/48/28/45/419482845.db2.gz CLLVFYNUYRMAJL-LBPRGKRZSA-N -1 0 313.313 1.890 50 0 DDAARM COc1cc(C)cc(OC)c1-c1nccc(NCC(=O)[O-])n1 ZINC000534644064 421694888 /nfs/dbraw/zinc/69/48/88/421694888.db2.gz MMXMJNIPBJCMRA-UHFFFAOYSA-N -1 0 303.318 1.966 50 0 DDAARM COc1cccc(C[C@H](NC(=O)[C@@H]2C[C@H](C)O[C@H]2C)C(=O)[O-])c1 ZINC000630243251 421985421 /nfs/dbraw/zinc/98/54/21/421985421.db2.gz IKXIRNOCNRYQLC-AZHAFVHUSA-N -1 0 321.373 1.621 50 0 DDAARM CC(C)[C@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000606441742 422460042 /nfs/dbraw/zinc/46/00/42/422460042.db2.gz DTZYNQZYJBAZDY-KKTNHOPESA-N -1 0 316.357 1.381 50 0 DDAARM CCN(CC(=O)[O-])C(=O)/C=C\c1ccc(N2CCCC2=O)cc1 ZINC000606441748 422460099 /nfs/dbraw/zinc/46/00/99/422460099.db2.gz FWVUBCCCWCGUFJ-YFHOEESVSA-N -1 0 316.357 1.760 50 0 DDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc2n1 ZINC000268998683 301106085 /nfs/dbraw/zinc/10/60/85/301106085.db2.gz XKKIKMNAFXBXDE-AWEZNQCLSA-N -1 0 300.314 1.469 50 0 DDAARM N=c1[n-]nc(CCNC(=O)c2ccc(O[C@H]3CC3(F)F)cc2)o1 ZINC000529113498 303091334 /nfs/dbraw/zinc/09/13/34/303091334.db2.gz CIXIILAINYESMH-JTQLQIEISA-N -1 0 324.287 1.241 50 0 DDAARM Cc1csc2nc(C)nc(N[C@@H]3C[C@H](C(=O)[O-])C[C@H]3O)c12 ZINC000662898591 484529927 /nfs/dbraw/zinc/52/99/27/484529927.db2.gz UZULAPLXXZYWNL-IVZWLZJFSA-N -1 0 307.375 1.944 50 0 DDAARM Cc1oc(CNC(=O)CCOC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299747367 534544613 /nfs/dbraw/zinc/54/46/13/534544613.db2.gz CVSPFHUTVUMMOS-LLVKDONJSA-N -1 0 311.334 1.488 50 0 DDAARM CC(C)[C@H](C(=O)N(C)CCC(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000299752545 528909667 /nfs/dbraw/zinc/90/96/67/528909667.db2.gz UNTGKTOEEVZOTR-YRGRVCCFSA-N -1 0 300.399 1.053 50 0 DDAARM CC[C@@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299749990 529249715 /nfs/dbraw/zinc/24/97/15/529249715.db2.gz MHBMHGLKNLUPHA-DGCLKSJQSA-N -1 0 311.309 1.295 50 0 DDAARM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)c2ccccc21 ZINC000088452310 185251556 /nfs/dbraw/zinc/25/15/56/185251556.db2.gz PEEOXFCZZSKYPC-SECBINFHSA-N -1 0 307.331 1.177 50 0 DDAARM CCC[C@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000095411831 185357737 /nfs/dbraw/zinc/35/77/37/185357737.db2.gz WGMSPYIPMZIYFX-NSHDSACASA-N -1 0 318.337 1.942 50 0 DDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NOC(C)(C)C)c1 ZINC000095451373 185368981 /nfs/dbraw/zinc/36/89/81/185368981.db2.gz LPOQQYITRJXXLN-UHFFFAOYSA-N -1 0 300.380 1.826 50 0 DDAARM Cc1cc(C(=O)NC[C@@H](Cc2cccc(C)c2)C(=O)[O-])n(C)n1 ZINC000097018776 185398110 /nfs/dbraw/zinc/39/81/10/185398110.db2.gz JHVSXLORJWNBKN-CQSZACIVSA-N -1 0 315.373 1.710 50 0 DDAARM O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000097021008 185398262 /nfs/dbraw/zinc/39/82/62/185398262.db2.gz TTYDYHPFZDMHSP-ZPRMVTFISA-N -1 0 315.421 1.978 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)NCCc2ccccn2)c(F)c1 ZINC000170647478 197800043 /nfs/dbraw/zinc/80/00/43/197800043.db2.gz HNKQQFGOYCJXAO-UHFFFAOYSA-N -1 0 324.333 1.440 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)CCCCc2ccccc2)CC1 ZINC000071750384 191022457 /nfs/dbraw/zinc/02/24/57/191022457.db2.gz ALHKVVKCSCALRA-UHFFFAOYSA-N -1 0 305.374 1.838 50 0 DDAARM CC1(C)[C@H](C(=O)NCc2nc(-c3cccnc3)no2)[C@@H]1C(=O)[O-] ZINC000072401724 191150792 /nfs/dbraw/zinc/15/07/92/191150792.db2.gz FNOAIABCVNCUHA-WDEREUQCSA-N -1 0 316.317 1.105 50 0 DDAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]c3ccccc3C)nc2n1 ZINC000000085793 180687788 /nfs/dbraw/zinc/68/77/88/180687788.db2.gz ROVODHHIVMJHCE-UHFFFAOYSA-N -1 0 317.374 1.850 50 0 DDAARM C[C@@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1nnn[n-]1 ZINC000072432398 191163941 /nfs/dbraw/zinc/16/39/41/191163941.db2.gz RWAWOEQBQRPTIB-SNVBAGLBSA-N -1 0 303.366 1.394 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000323394 180759393 /nfs/dbraw/zinc/75/93/93/180759393.db2.gz HHAAIAYQIHCDFL-NWDGAFQWSA-N -1 0 303.314 1.699 50 0 DDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)s1 ZINC000002927935 180970627 /nfs/dbraw/zinc/97/06/27/180970627.db2.gz YGQMCSUBRSQODB-UHFFFAOYSA-N -1 0 314.182 1.216 50 0 DDAARM O=C([O-])CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000003300761 181002373 /nfs/dbraw/zinc/00/23/73/181002373.db2.gz ZJCIKUPEPGZMTP-UHFFFAOYSA-N -1 0 317.672 1.722 50 0 DDAARM O=C([O-])COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000004769723 181149698 /nfs/dbraw/zinc/14/96/98/181149698.db2.gz PFDWKYNNVVVMDM-UHFFFAOYSA-N -1 0 321.354 1.629 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)no1 ZINC000074936362 191391601 /nfs/dbraw/zinc/39/16/01/191391601.db2.gz YDUXTCGLUXNVPJ-UHFFFAOYSA-N -1 0 323.330 1.139 50 0 DDAARM O=C([O-])CN1C(=O)N/C(=C/c2cc3c(cc2Cl)OCO3)C1=O ZINC000005018836 181191738 /nfs/dbraw/zinc/19/17/38/181191738.db2.gz PALXNGIWFYIIIV-UNXLUWIOSA-N -1 0 324.676 1.046 50 0 DDAARM CC[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000236917685 202071082 /nfs/dbraw/zinc/07/10/82/202071082.db2.gz JBAUJSZAHGBFAS-CYBMUJFWSA-N -1 0 304.346 1.335 50 0 DDAARM CCC[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)[O-] ZINC000237016538 202123274 /nfs/dbraw/zinc/12/32/74/202123274.db2.gz IRTVQKIKRUHPQK-ZDUSSCGKSA-N -1 0 322.336 1.936 50 0 DDAARM O=C([O-])CNC(=O)c1cc(Br)c2c(c1)OCCO2 ZINC000268953217 304069226 /nfs/dbraw/zinc/06/92/26/304069226.db2.gz VFDKVDWURRQGMX-UHFFFAOYSA-N -1 0 316.107 1.035 50 0 DDAARM Cc1cc(C)n(Cc2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2)n1 ZINC000237661058 202321129 /nfs/dbraw/zinc/32/11/29/202321129.db2.gz FQZRHBPEFOSTIF-UHFFFAOYSA-N -1 0 313.357 1.895 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000237718845 202338067 /nfs/dbraw/zinc/33/80/67/202338067.db2.gz FIKHBXXFMKMWLU-UHFFFAOYSA-N -1 0 309.366 1.319 50 0 DDAARM C[C@]1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000237786552 202353730 /nfs/dbraw/zinc/35/37/30/202353730.db2.gz RTBFQSBVTCVPDU-YOEHRIQHSA-N -1 0 303.358 1.593 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)nn2)cc1 ZINC000237829149 202364335 /nfs/dbraw/zinc/36/43/35/202364335.db2.gz UCVVWMLNGOQYPS-LBPRGKRZSA-N -1 0 314.345 1.513 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1CCCO1 ZINC000237936336 202397453 /nfs/dbraw/zinc/39/74/53/202397453.db2.gz UNLHOFVJBVXSJH-KBPBESRZSA-N -1 0 320.320 1.598 50 0 DDAARM O=C([O-])c1cc2c(c(S(=O)(=O)NCc3ccco3)c1)CCC2 ZINC000238206261 202449796 /nfs/dbraw/zinc/44/97/96/202449796.db2.gz MBIANOWDVOUIOK-UHFFFAOYSA-N -1 0 321.354 1.945 50 0 DDAARM C[C@@H](NC(=O)C(=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000225608246 296034945 /nfs/dbraw/zinc/03/49/45/296034945.db2.gz LWXMWGMOHWJNDF-SECBINFHSA-N -1 0 310.325 1.049 50 0 DDAARM CC[C@](C)(NC(=O)C[C@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000089941974 192916433 /nfs/dbraw/zinc/91/64/33/192916433.db2.gz VIOLRPDNILRAAB-BBRMVZONSA-N -1 0 306.362 1.623 50 0 DDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(C(=O)c1ccsc1)CC2 ZINC000092028101 193143384 /nfs/dbraw/zinc/14/33/84/193143384.db2.gz LDEGNPKARCHZLC-NSHDSACASA-N -1 0 322.386 1.286 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000268921627 304139824 /nfs/dbraw/zinc/13/98/24/304139824.db2.gz SUIOFQCBMLWELO-UONOGXRCSA-N -1 0 316.357 1.146 50 0 DDAARM COc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000013260709 181840172 /nfs/dbraw/zinc/84/01/72/181840172.db2.gz JCSIVWLZTSYGGR-SNVBAGLBSA-N -1 0 321.329 1.403 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nccc(-c2ccco2)n1 ZINC000013644992 181872684 /nfs/dbraw/zinc/87/26/84/181872684.db2.gz TVVKIZFIKJRAQG-UHFFFAOYSA-N -1 0 313.273 1.421 50 0 DDAARM O=C([O-])CCc1nnc2ccc(NCCc3cccs3)nn21 ZINC000032089231 182634379 /nfs/dbraw/zinc/63/43/79/182634379.db2.gz HBEBXIBQWLIAPF-UHFFFAOYSA-N -1 0 317.374 1.858 50 0 DDAARM O=C([O-])CN(CC(=O)NCCc1ccccn1)c1ccccc1 ZINC000034926507 182744761 /nfs/dbraw/zinc/74/47/61/182744761.db2.gz IMKACTCKUSDZOR-UHFFFAOYSA-N -1 0 313.357 1.332 50 0 DDAARM CN(CCCNC(=O)c1ccc([O-])c(Cl)c1)S(C)(=O)=O ZINC000040515444 183088787 /nfs/dbraw/zinc/08/87/87/183088787.db2.gz BRWXMSBQAKNCCJ-UHFFFAOYSA-N -1 0 320.798 1.057 50 0 DDAARM C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000268943948 207106648 /nfs/dbraw/zinc/10/66/48/207106648.db2.gz UNFGGKIHZKUGML-DOMZBBRYSA-N -1 0 321.373 1.927 50 0 DDAARM CC(C)(C(=O)NCCCC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268954413 207119082 /nfs/dbraw/zinc/11/90/82/207119082.db2.gz WFTTWWYZUWIZHZ-UHFFFAOYSA-N -1 0 307.346 1.716 50 0 DDAARM CCc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cnn1C(C)(C)C ZINC000269040274 207190021 /nfs/dbraw/zinc/19/00/21/207190021.db2.gz QEWDPWSOKOAAME-NSHDSACASA-N -1 0 323.393 1.516 50 0 DDAARM CCOc1ccccc1OCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000269053230 207202835 /nfs/dbraw/zinc/20/28/35/207202835.db2.gz WGOCXRGLORLIRO-INIZCTEOSA-N -1 0 307.346 1.787 50 0 DDAARM CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062118303 184206757 /nfs/dbraw/zinc/20/67/57/184206757.db2.gz WOIRXAUXLVLBFH-JTQLQIEISA-N -1 0 311.359 1.027 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(CCC(=O)Nc2cc(F)ccc2F)C1 ZINC000065394894 184334298 /nfs/dbraw/zinc/33/42/98/184334298.db2.gz ZBVHRNMGBAVINA-QMMMGPOBSA-N -1 0 312.272 1.227 50 0 DDAARM CC1(C)CNC(=O)c2nc(-c3nc(-c4ccccn4)no3)[n-]c2C1 ZINC000065432805 184344016 /nfs/dbraw/zinc/34/40/16/184344016.db2.gz LSBZNLONPPICMC-UHFFFAOYSA-N -1 0 324.344 1.834 50 0 DDAARM O=C([O-])c1ccc(CCC(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000238063888 304240598 /nfs/dbraw/zinc/24/05/98/304240598.db2.gz HKUITHAEPNIHNY-KRWDZBQOSA-N -1 0 303.358 1.956 50 0 DDAARM CCN1CC2(CC1=O)CCN(c1ccnc(C(=O)[O-])c1)CC2 ZINC000077456370 285183026 /nfs/dbraw/zinc/18/30/26/285183026.db2.gz QONJBEOEUJYNHH-UHFFFAOYSA-N -1 0 303.362 1.619 50 0 DDAARM CN(C)c1cccc(C(=O)[N-]S(=O)(=O)c2nccs2)c1 ZINC000225788655 256597143 /nfs/dbraw/zinc/59/71/43/256597143.db2.gz QVPQUMKLBMMGKF-UHFFFAOYSA-N -1 0 311.388 1.328 50 0 DDAARM CSCC[C@@H](NC(=O)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000426566835 533608332 /nfs/dbraw/zinc/60/83/32/533608332.db2.gz FMBWPZIITRONLP-LLVKDONJSA-N -1 0 303.330 1.830 50 0 DDAARM C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)CS2 ZINC000261657099 407570019 /nfs/dbraw/zinc/57/00/19/407570019.db2.gz KERSXGJPQZBVMO-ABAIWWIYSA-N -1 0 320.370 1.777 50 0 DDAARM CC(C)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001575533 406672828 /nfs/dbraw/zinc/67/28/28/406672828.db2.gz MRRLFGAIRAUOCS-CYBMUJFWSA-N -1 0 322.361 1.528 50 0 DDAARM CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002586051 406689568 /nfs/dbraw/zinc/68/95/68/406689568.db2.gz NLEKRIPRBRHEPC-AWEZNQCLSA-N -1 0 322.361 1.672 50 0 DDAARM CO[C@H](C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccccc1 ZINC000069573238 406736979 /nfs/dbraw/zinc/73/69/79/406736979.db2.gz PGQGSGLKSMHIOP-ZDUSSCGKSA-N -1 0 306.343 1.274 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(F)cc1F ZINC000069631242 406748180 /nfs/dbraw/zinc/74/81/80/406748180.db2.gz HDLACGVSBZCADP-JTQLQIEISA-N -1 0 319.329 1.594 50 0 DDAARM O=c1[n-]c(=O)c(SCc2csc(-c3ccccc3)n2)n[nH]1 ZINC000003225386 406713170 /nfs/dbraw/zinc/71/31/70/406713170.db2.gz BHOURLQXPVHLCI-UHFFFAOYSA-N -1 0 318.383 1.874 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2cnc(N)nc2)cc1Cl ZINC000008600389 406790506 /nfs/dbraw/zinc/79/05/06/406790506.db2.gz SJHFTSYDIHYNCB-UHFFFAOYSA-N -1 0 314.754 1.522 50 0 DDAARM COc1ccc(OCC(=O)NCC(F)(F)F)c(C(=O)[O-])c1 ZINC000013086803 406858419 /nfs/dbraw/zinc/85/84/19/406858419.db2.gz MKIRIYCUGPMQTN-UHFFFAOYSA-N -1 0 307.224 1.451 50 0 DDAARM CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013260587 406859278 /nfs/dbraw/zinc/85/92/78/406859278.db2.gz PHZQWUKQCDXCPT-LLVKDONJSA-N -1 0 311.359 1.027 50 0 DDAARM CC1=C(C)C[C@H](C(=O)NCCCN2CCCC2=O)[C@H](C(=O)[O-])C1 ZINC000013323607 406860681 /nfs/dbraw/zinc/86/06/81/406860681.db2.gz ZJFQCMFHBHCZNR-UONOGXRCSA-N -1 0 322.405 1.562 50 0 DDAARM CSc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000014138983 406870864 /nfs/dbraw/zinc/87/08/64/406870864.db2.gz KAKTWTNMANCKIB-QUBYGPBYSA-N -1 0 303.767 1.626 50 0 DDAARM O=C1CCCc2c1cnc1c2c(=O)[nH]c(=O)n1Cc1ccco1 ZINC000019818740 406885724 /nfs/dbraw/zinc/88/57/24/406885724.db2.gz DQTHPUUOORIMNP-UHFFFAOYSA-N -1 0 311.297 1.245 50 0 DDAARM CCc1nnsc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC000072952922 406886902 /nfs/dbraw/zinc/88/69/02/406886902.db2.gz LCTXLCYITJAPDE-UHFFFAOYSA-N -1 0 301.331 1.194 50 0 DDAARM COc1cc2[n-]cc(C(=O)C[S@@](C)=O)c(=O)c2cc1OC ZINC000071769122 406842879 /nfs/dbraw/zinc/84/28/79/406842879.db2.gz NUWRUWICOQCOCL-NRFANRHFSA-N -1 0 309.343 1.107 50 0 DDAARM O=C([O-])CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000036589749 406980153 /nfs/dbraw/zinc/98/01/53/406980153.db2.gz TUVGVNUCGYRIBL-CYBMUJFWSA-N -1 0 315.329 1.496 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2nc[nH]c21 ZINC000036569382 406980234 /nfs/dbraw/zinc/98/02/34/406980234.db2.gz GKAZDIDTEUPDLX-GFCCVEGCSA-N -1 0 322.328 1.942 50 0 DDAARM O=C([O-])CCCC(=O)N1CCN(Cc2ccccc2F)CC1 ZINC000032611413 406950462 /nfs/dbraw/zinc/95/04/62/406950462.db2.gz CRVJQKHVIBBZON-UHFFFAOYSA-N -1 0 308.353 1.725 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1ccc2c(c1)OCCO2 ZINC000033451396 406962116 /nfs/dbraw/zinc/96/21/16/406962116.db2.gz JZOPIRRCFNZKCY-LBPRGKRZSA-N -1 0 305.330 1.466 50 0 DDAARM Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037377002 406988454 /nfs/dbraw/zinc/98/84/54/406988454.db2.gz JUXUOHMFESYVSK-LLVKDONJSA-N -1 0 301.339 1.762 50 0 DDAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccccc1F ZINC000041606171 407008773 /nfs/dbraw/zinc/00/87/73/407008773.db2.gz CBPJDXJJSNUSBK-SECBINFHSA-N -1 0 324.337 1.519 50 0 DDAARM CN(Cc1ccc2nonc2c1)[C@@H](C(=O)[O-])c1ccc(N)nc1 ZINC000095379265 407212254 /nfs/dbraw/zinc/21/22/54/407212254.db2.gz KMCZIKIKDMNWES-CQSZACIVSA-N -1 0 313.317 1.458 50 0 DDAARM Cn1cc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000095969908 407218824 /nfs/dbraw/zinc/21/88/24/407218824.db2.gz LINMGSDPFPQJPT-HNNXBMFYSA-N -1 0 313.357 1.391 50 0 DDAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C3CC3)C2)c1 ZINC000095989550 407220932 /nfs/dbraw/zinc/22/09/32/407220932.db2.gz NNVBGKFRCXTWBH-MGPQQGTHSA-N -1 0 303.362 1.791 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2SCCc3sccc32)n1 ZINC000123030612 407317301 /nfs/dbraw/zinc/31/73/01/407317301.db2.gz CBJYCOQZZCTMSS-GFCCVEGCSA-N -1 0 323.399 1.998 50 0 DDAARM C[C@@H](OC1CCCCCC1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000096474056 407270421 /nfs/dbraw/zinc/27/04/21/407270421.db2.gz LACQHHFIQHSXHI-LLVKDONJSA-N -1 0 310.398 1.275 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)CSc1ccccn1)C(=O)[O-] ZINC000067688747 407280785 /nfs/dbraw/zinc/28/07/85/407280785.db2.gz BLOAOANMHSYHOD-ZDUSSCGKSA-N -1 0 320.374 1.456 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097272353 407290671 /nfs/dbraw/zinc/29/06/71/407290671.db2.gz FTXNOYULTBKDQT-UHFFFAOYSA-N -1 0 305.382 1.340 50 0 DDAARM COc1ccc(/C=C/CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cc1 ZINC000097301261 407291353 /nfs/dbraw/zinc/29/13/53/407291353.db2.gz HVHNSPDRLJEMTJ-KZSQQDEKSA-N -1 0 313.357 1.943 50 0 DDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000101033607 407308764 /nfs/dbraw/zinc/30/87/64/407308764.db2.gz ZCMVEWJQSLFRDY-OUKQBFOZSA-N -1 0 305.378 1.814 50 0 DDAARM C[C@H](CN(C)C(=O)c1cc(-c2ccccc2)no1)c1nnn[n-]1 ZINC000195562620 407468634 /nfs/dbraw/zinc/46/86/34/407468634.db2.gz APSQKHFGUBETMR-SNVBAGLBSA-N -1 0 312.333 1.730 50 0 DDAARM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(C2CC2)on1 ZINC000170619117 407457438 /nfs/dbraw/zinc/45/74/38/407457438.db2.gz CLYBCXZPLXZOML-UHFFFAOYSA-N -1 0 312.289 1.073 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000237966023 407857902 /nfs/dbraw/zinc/85/79/02/407857902.db2.gz UDVHWIFHSLIMDM-LLVKDONJSA-N -1 0 317.263 1.560 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000238041852 407876132 /nfs/dbraw/zinc/87/61/32/407876132.db2.gz UBYXADIXBWTUOT-UHFFFAOYSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000238082693 407885711 /nfs/dbraw/zinc/88/57/11/407885711.db2.gz HDBWLZXMAJHWCX-LBPRGKRZSA-N -1 0 321.348 1.807 50 0 DDAARM COCCOc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000262679866 407898652 /nfs/dbraw/zinc/89/86/52/407898652.db2.gz SIIKAZYMAKDJKY-AWEZNQCLSA-N -1 0 307.346 1.791 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000174441158 407947890 /nfs/dbraw/zinc/94/78/90/407947890.db2.gz MFPRTQGUBWRJNV-GFCCVEGCSA-N -1 0 314.341 1.859 50 0 DDAARM CCc1n[nH]c(=O)c(C(=O)NCc2ccc(C(=O)[O-])o2)c1CC ZINC000262822100 407948076 /nfs/dbraw/zinc/94/80/76/407948076.db2.gz WBKPYKNAKZMRLA-UHFFFAOYSA-N -1 0 319.317 1.116 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000263170328 408046206 /nfs/dbraw/zinc/04/62/06/408046206.db2.gz FURUOKUAOXBSHE-VHSXEESVSA-N -1 0 301.306 1.306 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000263366558 408119246 /nfs/dbraw/zinc/11/92/46/408119246.db2.gz WHSDTWWDALXXLX-KBPBESRZSA-N -1 0 305.330 1.116 50 0 DDAARM CO[C@H]1CCCC[C@@H]1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000263532157 408163879 /nfs/dbraw/zinc/16/38/79/408163879.db2.gz NAWRHHMLRVNRMR-KBPBESRZSA-N -1 0 307.346 1.837 50 0 DDAARM Cn1nccc1CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000190735396 408310871 /nfs/dbraw/zinc/31/08/71/408310871.db2.gz JATPVVJFECSFCG-OAHLLOKOSA-N -1 0 313.357 1.391 50 0 DDAARM O=C([O-])C1(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)CC1 ZINC000165021160 408808055 /nfs/dbraw/zinc/80/80/55/408808055.db2.gz CIXVDDMYUQVOBB-UHFFFAOYSA-N -1 0 302.330 1.726 50 0 DDAARM CC[C@](C)(CC(=O)[O-])CC(=O)N1CCN(c2ncccn2)CC1 ZINC000299803862 410642148 /nfs/dbraw/zinc/64/21/48/410642148.db2.gz HYVLHVFUAKLDAO-INIZCTEOSA-N -1 0 320.393 1.406 50 0 DDAARM O=c1nc(CNc2c(F)cc(F)cc2Br)[nH][n-]1 ZINC000130720878 196104612 /nfs/dbraw/zinc/10/46/12/196104612.db2.gz AKIIDTHQLKQNLB-UHFFFAOYSA-N -1 0 305.082 1.751 50 0 DDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2ncncc2C1 ZINC000647733948 423019767 /nfs/dbraw/zinc/01/97/67/423019767.db2.gz KQNMMZUHRXKEAN-JSGCOSHPSA-N -1 0 317.389 1.827 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)c1ccc(N2CCOCC2)c(C)c1 ZINC000647729801 423017756 /nfs/dbraw/zinc/01/77/56/423017756.db2.gz UZESFDIGUNFHLN-UHFFFAOYSA-N -1 0 320.389 1.768 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)nc2ccccc12 ZINC000178280357 221861092 /nfs/dbraw/zinc/86/10/92/221861092.db2.gz RFRPSTUZLANQJV-AWEZNQCLSA-N -1 0 300.314 1.469 50 0 DDAARM Cc1noc(C)c1C[C@H](C)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000123783543 418506962 /nfs/dbraw/zinc/50/69/62/418506962.db2.gz QUOISEPMILUKFD-VIFPVBQESA-N -1 0 323.374 1.370 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000262615079 222286479 /nfs/dbraw/zinc/28/64/79/222286479.db2.gz LSOYMVIZLMGTBW-KGLIPLIRSA-N -1 0 307.321 1.916 50 0 DDAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)Cc1ccsc1)C2 ZINC000426541602 419501720 /nfs/dbraw/zinc/50/17/20/419501720.db2.gz TVVLBAHNEQJYMW-UHFFFAOYSA-N -1 0 305.359 1.307 50 0 DDAARM CCn1ncnc1[C@H](C)NC(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426593678 419513864 /nfs/dbraw/zinc/51/38/64/419513864.db2.gz KAXVGDPBXPRIJR-VIFPVBQESA-N -1 0 318.333 1.496 50 0 DDAARM CO[C@@H](C)c1nc(C)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000427965060 419778714 /nfs/dbraw/zinc/77/87/14/419778714.db2.gz PHXMFTPFHIBTSS-DTWKUNHWSA-N -1 0 314.363 1.085 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCCn1cncn1 ZINC000299741728 229377576 /nfs/dbraw/zinc/37/75/76/229377576.db2.gz AJDXWUDBROEWOW-AWEZNQCLSA-N -1 0 314.345 1.096 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CCO1 ZINC000299751639 229396811 /nfs/dbraw/zinc/39/68/11/229396811.db2.gz RCJLRRIBNKEYLN-CDMKHQONSA-N -1 0 311.284 1.380 50 0 DDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc3ccncc32)C1 ZINC000630255990 421994194 /nfs/dbraw/zinc/99/41/94/421994194.db2.gz OFXVITLKJKZUKQ-INIZCTEOSA-N -1 0 300.314 1.551 50 0 DDAARM CN(C)c1c(Cl)cccc1NC(=O)NCCc1n[n-]c(=N)o1 ZINC000585120155 422307471 /nfs/dbraw/zinc/30/74/71/422307471.db2.gz VTAONLKIKCKUBJ-UHFFFAOYSA-N -1 0 324.772 1.566 50 0 DDAARM O=c1c2ccccc2[n-]c(=S)n1CC1CCS(=O)(=O)CC1 ZINC000157371741 280391932 /nfs/dbraw/zinc/39/19/32/280391932.db2.gz PPJPSNXNVFVUID-UHFFFAOYSA-N -1 0 324.427 1.510 50 0 DDAARM O=C([O-])[C@@H]1CCCCCC[C@H]1NS(=O)(=O)N1CCCC1 ZINC000547933293 303561619 /nfs/dbraw/zinc/56/16/19/303561619.db2.gz SEHSQFUMMWGJHC-VXGBXAGGSA-N -1 0 304.412 1.340 50 0 DDAARM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000076087998 303823590 /nfs/dbraw/zinc/82/35/90/303823590.db2.gz HFXPNHMHMNIDBN-ZETCQYMHSA-N -1 0 320.658 1.785 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C(=O)c2ccco2)C[C@H]1c1ccncc1 ZINC000092028451 332117966 /nfs/dbraw/zinc/11/79/66/332117966.db2.gz VRMXYUJUUDPEBX-NWDGAFQWSA-N -1 0 314.297 1.184 50 0 DDAARM Cc1nc(CN2CCc3c(c(C(=O)[O-])nn3C)C2)sc1C ZINC000534660322 334315893 /nfs/dbraw/zinc/31/58/93/334315893.db2.gz QZXZEWGROYTTIZ-UHFFFAOYSA-N -1 0 306.391 1.750 50 0 DDAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)c1 ZINC000097012063 484019132 /nfs/dbraw/zinc/01/91/32/484019132.db2.gz WHFGBPHBLXWIKQ-UHFFFAOYSA-N -1 0 323.422 1.801 50 0 DDAARM CC1(C)OCC[C@@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659232165 484701909 /nfs/dbraw/zinc/70/19/09/484701909.db2.gz GFINEQFVAGWQNX-GFCCVEGCSA-N -1 0 307.346 1.695 50 0 DDAARM O=C([O-])CN(C(=O)c1scnc1Cl)C1CCOCC1 ZINC000328594920 534499037 /nfs/dbraw/zinc/49/90/37/534499037.db2.gz GAXSGSUEVAEJNR-UHFFFAOYSA-N -1 0 304.755 1.502 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc2c1OCCO2)C1CCOCC1 ZINC000328595511 534499321 /nfs/dbraw/zinc/49/93/21/534499321.db2.gz WXOILZNZUNBEJH-UHFFFAOYSA-N -1 0 321.329 1.164 50 0 DDAARM Cc1oc(CNC(=O)CCOC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299747368 534545085 /nfs/dbraw/zinc/54/50/85/534545085.db2.gz CVSPFHUTVUMMOS-NSHDSACASA-N -1 0 311.334 1.488 50 0 DDAARM C/C(=C\C(=O)[N-]S(=O)(=O)c1cnccn1)c1ccc(F)cc1 ZINC000584907913 736152236 /nfs/dbraw/zinc/15/22/36/736152236.db2.gz NGCAWJWICNJZKV-CSKARUKUSA-N -1 0 321.333 1.524 50 0 DDAARM CO[C@@H](CS(=O)(=O)[N-]c1cc2ccccc2nn1)C1CC1 ZINC000585129573 771961670 /nfs/dbraw/zinc/96/16/70/771961670.db2.gz OCTFANPYXITENE-ZDUSSCGKSA-N -1 0 307.375 1.797 50 0 DDAARM CN(C)[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000095530381 185378871 /nfs/dbraw/zinc/37/88/71/185378871.db2.gz FNHGFZYLUKNCLA-CYBMUJFWSA-N -1 0 308.353 1.942 50 0 DDAARM C[C@@H](c1ccccc1)N1C[C@H](C(=O)NCCCC(=O)[O-])CC1=O ZINC000096595482 185384332 /nfs/dbraw/zinc/38/43/32/185384332.db2.gz YFGUMSXYIFLHBH-GXTWGEPZSA-N -1 0 318.373 1.577 50 0 DDAARM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088374418 185247545 /nfs/dbraw/zinc/24/75/45/185247545.db2.gz TVFKNIIFKPNCKI-JOYOIKCWSA-N -1 0 313.737 1.419 50 0 DDAARM CCOC(=O)NN=C(C)c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000252474534 539274654 /nfs/dbraw/zinc/27/46/54/539274654.db2.gz HCGKIIRBIXGKGN-UHFFFAOYSA-N -1 0 310.306 1.629 50 0 DDAARM C[C@@]1(NC(=O)c2cnn3cccnc23)CCCC[C@H]1C(=O)[O-] ZINC000262741754 539275893 /nfs/dbraw/zinc/27/58/93/539275893.db2.gz JDOZEBSTLFHQDJ-XHDPSFHLSA-N -1 0 302.334 1.493 50 0 DDAARM COc1cccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c1OC ZINC000002436662 190616022 /nfs/dbraw/zinc/61/60/22/190616022.db2.gz APYCTGXYMOLJGP-UXBLZVDNSA-N -1 0 323.326 1.825 50 0 DDAARM CCC(CC)[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC000178270754 282250406 /nfs/dbraw/zinc/25/04/06/282250406.db2.gz ZHCIGYBAFRMCCU-UONOGXRCSA-N -1 0 312.410 1.057 50 0 DDAARM O=C([O-])C[C@H]1CSCCN1C(=O)c1cccc2cn[nH]c21 ZINC000095424728 185361349 /nfs/dbraw/zinc/36/13/49/185361349.db2.gz ILAIBDKLYBJXGJ-JTQLQIEISA-N -1 0 305.359 1.595 50 0 DDAARM C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000095424752 185361515 /nfs/dbraw/zinc/36/15/15/185361515.db2.gz FFPXNBSKWKKXNN-DRZSPHRISA-N -1 0 310.394 1.441 50 0 DDAARM CCn1nc(CC(C)C)cc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000072173767 191069354 /nfs/dbraw/zinc/06/93/54/191069354.db2.gz IKTYMSMAXQSCFD-ZDUSSCGKSA-N -1 0 323.393 1.417 50 0 DDAARM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262858647 186314441 /nfs/dbraw/zinc/31/44/41/186314441.db2.gz VBDREGZNLNLEHF-QWRGUYRKSA-N -1 0 320.345 1.446 50 0 DDAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)N2CCCC2)CC1 ZINC000072468864 191175872 /nfs/dbraw/zinc/17/58/72/191175872.db2.gz ASEPPHBMUQJYOK-UHFFFAOYSA-N -1 0 306.366 1.283 50 0 DDAARM COC(=O)C(C)(C)Cn1c2ccccc2n(CC(=O)[O-])c1=O ZINC000072233693 353194225 /nfs/dbraw/zinc/19/42/25/353194225.db2.gz VEGRCTIKXAHYPT-UHFFFAOYSA-N -1 0 306.318 1.087 50 0 DDAARM O=C([O-])[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000003369684 181012281 /nfs/dbraw/zinc/01/22/81/181012281.db2.gz IEMGTWXFCBVWDG-GXTWGEPZSA-N -1 0 321.354 1.048 50 0 DDAARM CC[C@@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000004063131 181068629 /nfs/dbraw/zinc/06/86/29/181068629.db2.gz FPHRLNBKMDDMRT-GFCCVEGCSA-N -1 0 319.313 1.329 50 0 biogenic DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000585134153 354811115 /nfs/dbraw/zinc/81/11/15/354811115.db2.gz GAUQNEFUOUZDKY-HBNTYKKESA-N -1 0 305.334 1.374 50 0 DDAARM CC[C@H](C)NC(=O)c1cnc(I)c([O-])c1 ZINC000585141314 354814895 /nfs/dbraw/zinc/81/48/95/354814895.db2.gz TVXCNTAXDRTURQ-LURJTMIESA-N -1 0 320.130 1.920 50 0 DDAARM O=C(NCCCc1nnn[n-]1)c1c[nH]nc1C1CCCCC1 ZINC000584897979 354797632 /nfs/dbraw/zinc/79/76/32/354797632.db2.gz GWJVAUHSVLCASF-UHFFFAOYSA-N -1 0 303.370 1.333 50 0 DDAARM CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)CCCC(=O)[O-] ZINC000078714160 191916855 /nfs/dbraw/zinc/91/68/55/191916855.db2.gz NPIMSABBDNUDNS-HNNXBMFYSA-N -1 0 320.389 1.764 50 0 DDAARM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cccs1 ZINC000005451285 181244928 /nfs/dbraw/zinc/24/49/28/181244928.db2.gz NIVZWLUHZLLYIY-UHFFFAOYSA-N -1 0 307.360 1.525 50 0 DDAARM CCCN(CC)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000178273842 198841167 /nfs/dbraw/zinc/84/11/67/198841167.db2.gz RSWXZXAZFHWIEX-CYBMUJFWSA-N -1 0 305.378 1.865 50 0 DDAARM Cc1cc2ccccc2n1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237811947 202361168 /nfs/dbraw/zinc/36/11/68/202361168.db2.gz QNRFCDZXAKJZIW-CQSZACIVSA-N -1 0 302.330 1.262 50 0 DDAARM CC[C@H](C(=O)[O-])N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000242498429 202474573 /nfs/dbraw/zinc/47/45/73/202474573.db2.gz HDPBNIHQFJQDGQ-SNVBAGLBSA-N -1 0 321.782 1.978 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000262700431 304113615 /nfs/dbraw/zinc/11/36/15/304113615.db2.gz KJAVARXZDOIVAD-ZDUSSCGKSA-N -1 0 317.345 1.296 50 0 DDAARM CCOc1ncc([N-]S(=O)(=O)c2ccccc2)c(N(C)C)n1 ZINC000206730568 201431545 /nfs/dbraw/zinc/43/15/45/201431545.db2.gz KZVFDIAKWIFEOV-UHFFFAOYSA-N -1 0 322.390 1.742 50 0 DDAARM Cn1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c2c1CCCC2 ZINC000092046714 193147040 /nfs/dbraw/zinc/14/70/40/193147040.db2.gz KJSSGLISCDMSTH-QWHCGFSZSA-N -1 0 317.389 1.482 50 0 DDAARM CS(=O)(=O)C[C@@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000215963217 201476056 /nfs/dbraw/zinc/47/60/56/201476056.db2.gz OKBYQVGXRBREDA-CYBMUJFWSA-N -1 0 311.403 1.641 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000263269081 304134917 /nfs/dbraw/zinc/13/49/17/304134917.db2.gz LPPOWJNZVPEGCD-GRDNDAEWSA-N -1 0 301.342 1.203 50 0 DDAARM CCCNC(=O)C1CCN(C(=O)c2cccc(C(=O)[O-])n2)CC1 ZINC000262439482 203294697 /nfs/dbraw/zinc/29/46/97/203294697.db2.gz ULTZBKLLQFKRHT-UHFFFAOYSA-N -1 0 319.361 1.158 50 0 DDAARM CC(=O)Nc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262504044 203311484 /nfs/dbraw/zinc/31/14/84/203311484.db2.gz ZBRVOVWXPPFFQF-AWEZNQCLSA-N -1 0 316.357 1.972 50 0 DDAARM COc1cccc(CNS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000013067337 181825920 /nfs/dbraw/zinc/82/59/20/181825920.db2.gz MAMSXGSNWWGPSM-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 DDAARM CCOc1ccc(OCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000013167233 181835383 /nfs/dbraw/zinc/83/53/83/181835383.db2.gz PYVZHEAHSWRLNK-UHFFFAOYSA-N -1 0 307.346 1.787 50 0 DDAARM Cc1cc2c([n-]c(=S)n(CCN3CCOCC3)c2=O)s1 ZINC000017032341 182070186 /nfs/dbraw/zinc/07/01/86/182070186.db2.gz VZJMLPYABWSYMV-UHFFFAOYSA-N -1 0 311.432 1.761 50 0 DDAARM C[C@@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000020614871 182239585 /nfs/dbraw/zinc/23/95/85/182239585.db2.gz MSBXNNUXNAMLMN-MRVPVSSYSA-N -1 0 317.301 1.338 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043509807 183368798 /nfs/dbraw/zinc/36/87/98/183368798.db2.gz UAJLGABUNUSRKU-AWEZNQCLSA-N -1 0 311.407 1.046 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000268892671 207062260 /nfs/dbraw/zinc/06/22/60/207062260.db2.gz IVMQUSXXLZJCMN-XQQFMLRXSA-N -1 0 317.341 1.842 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000268938284 207102626 /nfs/dbraw/zinc/10/26/26/207102626.db2.gz QDWQBIKVUFLHNU-LKFCYVNXSA-N -1 0 317.301 1.135 50 0 DDAARM COc1ccc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000268942515 207106931 /nfs/dbraw/zinc/10/69/31/207106931.db2.gz FQGDECRLSTYDKS-CQSZACIVSA-N -1 0 307.346 1.330 50 0 DDAARM Cc1noc(CCCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000268943981 207107599 /nfs/dbraw/zinc/10/75/99/207107599.db2.gz NTNKJTCVSDFWHQ-UPJWGTAASA-N -1 0 321.377 1.945 50 0 DDAARM Cc1ccc(OCCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1C ZINC000268992543 207148400 /nfs/dbraw/zinc/14/84/00/207148400.db2.gz UAPBBRLZSAHKDT-AWEZNQCLSA-N -1 0 307.346 1.384 50 0 DDAARM Cc1ccc(OCCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C ZINC000268992548 207150279 /nfs/dbraw/zinc/15/02/79/207150279.db2.gz UAPBBRLZSAHKDT-CQSZACIVSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])c1ccc2c(=O)[nH]c3c(-c4ccccc4)nnn3c2c1 ZINC000045918712 304251622 /nfs/dbraw/zinc/25/16/22/304251622.db2.gz OBJXEXZMBLICAW-UHFFFAOYSA-N -1 0 306.281 1.936 50 0 DDAARM COc1ccc([C@@H](C)CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000299745722 533090291 /nfs/dbraw/zinc/09/02/91/533090291.db2.gz SCWDULAITJXTHG-SMDDNHRTSA-N -1 0 307.346 1.501 50 0 DDAARM COc1ccc(F)c([C@H](C(=O)[O-])N2CCCN(C(C)=O)CC2)c1 ZINC000095380315 257271857 /nfs/dbraw/zinc/27/18/57/257271857.db2.gz ORXCQPXZUZQUOA-OAHLLOKOSA-N -1 0 324.352 1.514 50 0 DDAARM CCn1cc(Br)cc1C(=O)NC1(C(=O)[O-])CC1 ZINC000203661214 484133534 /nfs/dbraw/zinc/13/35/34/484133534.db2.gz ULPCHLUKEXEFFO-UHFFFAOYSA-N -1 0 301.140 1.618 50 0 DDAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000000246266 406634989 /nfs/dbraw/zinc/63/49/89/406634989.db2.gz FHALQCKQZFYPGB-UHFFFAOYSA-N -1 0 305.739 1.059 50 0 DDAARM CCOC(=O)COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000002488650 406688119 /nfs/dbraw/zinc/68/81/19/406688119.db2.gz MJQZSWSYPVCYIT-YPMHNXCESA-N -1 0 311.359 1.417 50 0 DDAARM Cc1ccc(NC(=O)CSc2nnnn2CC(=O)[O-])c(C)c1 ZINC000000316833 406640181 /nfs/dbraw/zinc/64/01/81/406640181.db2.gz ODQZWIVIUAWSNY-UHFFFAOYSA-N -1 0 321.362 1.105 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000071285431 406836109 /nfs/dbraw/zinc/83/61/09/406836109.db2.gz JRCJVBNVDJJRAY-OLZOCXBDSA-N -1 0 316.357 1.874 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2occc(=O)c2c1 ZINC000071287273 406837942 /nfs/dbraw/zinc/83/79/42/406837942.db2.gz JWCKSEQJKLYKIU-UHFFFAOYSA-N -1 0 311.253 1.534 50 0 DDAARM CCO[N-]C(=O)CN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000012744696 406851342 /nfs/dbraw/zinc/85/13/42/406851342.db2.gz IUZCMYNWRDDIBK-UHFFFAOYSA-N -1 0 308.363 1.310 50 0 DDAARM CC1=C(C)C[C@H](C(=O)NCCCN2CCCC2=O)[C@@H](C(=O)[O-])C1 ZINC000013323603 406861444 /nfs/dbraw/zinc/86/14/44/406861444.db2.gz ZJFQCMFHBHCZNR-KBPBESRZSA-N -1 0 322.405 1.562 50 0 DDAARM Cc1occc1C(=O)[N-]N1C(=O)NC2(CCC(C)CC2)C1=O ZINC000014129162 406871170 /nfs/dbraw/zinc/87/11/70/406871170.db2.gz GEQHZLTVXQVYFI-UHFFFAOYSA-N -1 0 305.334 1.734 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCSCC2)cc1C(=O)[O-] ZINC000016622296 406883840 /nfs/dbraw/zinc/88/38/40/406883840.db2.gz AMZPNPCMIATBEE-UHFFFAOYSA-N -1 0 317.388 1.131 50 0 DDAARM CC1CCN(C2=N[C@H](CC(=O)Nc3ccccc3)C([O-])=N2)CC1 ZINC000020466897 406887624 /nfs/dbraw/zinc/88/76/24/406887624.db2.gz AOVCRKJQTZWMLB-CQSZACIVSA-N -1 0 314.389 1.602 50 0 DDAARM CC(=O)Nc1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000036617533 406980229 /nfs/dbraw/zinc/98/02/29/406980229.db2.gz DLBGUHBROKVFOB-UHFFFAOYSA-N -1 0 302.290 1.329 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000037518409 406990631 /nfs/dbraw/zinc/99/06/31/406990631.db2.gz CQMYIZIZBACJQZ-VHSXEESVSA-N -1 0 303.236 1.922 50 0 DDAARM Cc1cc(O)c([C@@H]2OC(=O)c3ccccc32)c(=O)n1CC(=O)[O-] ZINC000049543458 407122744 /nfs/dbraw/zinc/12/27/44/407122744.db2.gz BWXHLQHGSLZQTO-CQSZACIVSA-N -1 0 315.281 1.207 50 0 DDAARM O=C([O-])C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000096222535 407252537 /nfs/dbraw/zinc/25/25/37/407252537.db2.gz DNYXPSDUHOJWSJ-LBPRGKRZSA-N -1 0 301.302 1.106 50 0 DDAARM O=C([O-])CCNC(=O)CCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000055414715 407203051 /nfs/dbraw/zinc/20/30/51/407203051.db2.gz LIPBXIVMGDWPIS-UHFFFAOYSA-N -1 0 316.716 1.789 50 0 DDAARM CCc1nc(CC(=O)N(CCOC)CCC(=O)[O-])cs1 ZINC000095970051 407218752 /nfs/dbraw/zinc/21/87/52/407218752.db2.gz IOGKOFZNGUIFSK-UHFFFAOYSA-N -1 0 300.380 1.198 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)nn1C ZINC000096007271 407223856 /nfs/dbraw/zinc/22/38/56/407223856.db2.gz CODSEHWZJDUNPF-UHFFFAOYSA-N -1 0 320.296 1.943 50 0 DDAARM CCC[C@@H](NC(=O)c1coc(Br)c1)c1nnn[n-]1 ZINC000096466448 407269960 /nfs/dbraw/zinc/26/99/60/407269960.db2.gz SJIISYWGEXFPMD-SSDOTTSWSA-N -1 0 314.143 1.826 50 0 DDAARM COc1ccc(C(=O)CCc2nc(C)nn2CC(=O)[O-])cc1 ZINC000097775625 407302330 /nfs/dbraw/zinc/30/23/30/407302330.db2.gz WSPFQRFSPJKILK-UHFFFAOYSA-N -1 0 303.318 1.495 50 0 DDAARM O=C(NC[C@H]1CCCO1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621259 407308196 /nfs/dbraw/zinc/30/81/96/407308196.db2.gz YYQCPOWZMNFGSQ-LLVKDONJSA-N -1 0 314.341 1.172 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2Cc3cccc(F)c3O2)n1 ZINC000122776178 407310097 /nfs/dbraw/zinc/31/00/97/407310097.db2.gz RCMLMDGCTVHBKL-SNVBAGLBSA-N -1 0 305.265 1.049 50 0 DDAARM NS(=O)(=O)c1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000254440544 407464189 /nfs/dbraw/zinc/46/41/89/407464189.db2.gz GKIWMUBVOBZTDJ-UHFFFAOYSA-N -1 0 319.342 1.478 50 0 DDAARM NC(=O)Nc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000261617524 407554641 /nfs/dbraw/zinc/55/46/41/407554641.db2.gz AHHPKYOOKNNYSM-LLVKDONJSA-N -1 0 319.361 1.894 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000237282481 407810792 /nfs/dbraw/zinc/81/07/92/407810792.db2.gz FFKWTLJCVVZYDA-JQWIXIFHSA-N -1 0 313.300 1.628 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N(C)CCCC(=O)[O-])C2=O)cc1 ZINC000237280327 407810798 /nfs/dbraw/zinc/81/07/98/407810798.db2.gz GOJBVMDKYHOGIH-CQSZACIVSA-N -1 0 318.373 1.671 50 0 DDAARM Cn1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1=O ZINC000237723111 407838401 /nfs/dbraw/zinc/83/84/01/407838401.db2.gz HWHSJPUUSCPCIW-DRZSPHRISA-N -1 0 304.346 1.243 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)CCO1 ZINC000237961513 407857664 /nfs/dbraw/zinc/85/76/64/407857664.db2.gz YFCLJBGCQHICEA-ZDUSSCGKSA-N -1 0 313.300 1.600 50 0 DDAARM C[C@@H]1CCN(C(=O)Cc2cn3ccccc3n2)[C@H](C(=O)[O-])C1 ZINC000262584565 407874237 /nfs/dbraw/zinc/87/42/37/407874237.db2.gz ZNUJTYWPIILCTF-YPMHNXCESA-N -1 0 301.346 1.589 50 0 DDAARM CCC[C@@H](NS(=O)(=O)c1cccc(N(C)C)c1)C(=O)[O-] ZINC000262614043 407882294 /nfs/dbraw/zinc/88/22/94/407882294.db2.gz XCZDMQCZOQPJIB-GFCCVEGCSA-N -1 0 300.380 1.284 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCO1 ZINC000238128555 407893582 /nfs/dbraw/zinc/89/35/82/407893582.db2.gz PSHUIZXDCGKSIN-CYBMUJFWSA-N -1 0 319.292 1.141 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)CCO1 ZINC000263008995 408001282 /nfs/dbraw/zinc/00/12/82/408001282.db2.gz QWOJBUVGAJQSMX-NSHDSACASA-N -1 0 317.700 1.170 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CCO1 ZINC000263019831 408003542 /nfs/dbraw/zinc/00/35/42/408003542.db2.gz SLAWMKYAFJFWEO-CQSZACIVSA-N -1 0 305.330 1.401 50 0 DDAARM C[C@@H]1CCCN(Cc2nc(N)c3ccccc3n2)[C@H]1C(=O)[O-] ZINC000263039486 408008769 /nfs/dbraw/zinc/00/87/69/408008769.db2.gz IODPEYDGKTYLAJ-QMTHXVAHSA-N -1 0 300.362 1.897 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cccn1C ZINC000263364269 408118975 /nfs/dbraw/zinc/11/89/75/408118975.db2.gz VMXFDSQBEUGNBG-UHFFFAOYSA-N -1 0 302.330 1.704 50 0 DDAARM CC(C)[C@H]1OCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263571785 408178241 /nfs/dbraw/zinc/17/82/41/408178241.db2.gz JXDXOQYRCIQLID-RBSFLKMASA-N -1 0 305.374 1.860 50 0 DDAARM C[C@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)CC(=O)[O-] ZINC000191222251 408390739 /nfs/dbraw/zinc/39/07/39/408390739.db2.gz VZPTUILJLBCJNJ-QMMMGPOBSA-N -1 0 320.267 1.863 50 0 DDAARM COc1cnc2ccccc2c1C(=O)NC1(c2nnn[n-]2)CC1 ZINC000252504786 408802681 /nfs/dbraw/zinc/80/26/81/408802681.db2.gz VLGQDYSORDPKRJ-UHFFFAOYSA-N -1 0 310.317 1.176 50 0 DDAARM CC[C@@](CNC(=O)c1ccnn1C)(C(=O)[O-])c1ccccc1 ZINC000263096191 163914085 /nfs/dbraw/zinc/91/40/85/163914085.db2.gz VZZZLQBFNMKCOB-INIZCTEOSA-N -1 0 301.346 1.583 50 0 DDAARM C[C@@H](Cc1cnn(C)c1)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263336682 163952455 /nfs/dbraw/zinc/95/24/55/163952455.db2.gz MOYDNIZSVAUNRE-NTZNESFSSA-N -1 0 308.382 1.103 50 0 DDAARM Cc1ccc(OCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C ZINC000314809210 409829772 /nfs/dbraw/zinc/82/97/72/409829772.db2.gz NBCPPINJISHFQA-CQSZACIVSA-N -1 0 307.346 1.384 50 0 DDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000408513420 418806363 /nfs/dbraw/zinc/80/63/63/418806363.db2.gz AXTIXHCNAKGIBH-BFHYXJOUSA-N -1 0 305.330 1.111 50 0 DDAARM CCCC1(C(=O)[O-])CCN(C(=O)Cc2c(C)[nH][nH]c2=O)CC1 ZINC000426379736 419453342 /nfs/dbraw/zinc/45/33/42/419453342.db2.gz NEMXNBXYXDUJJM-UHFFFAOYSA-N -1 0 309.366 1.460 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CCO1 ZINC000299742840 229379708 /nfs/dbraw/zinc/37/97/08/229379708.db2.gz KWBUARUFPLWLHI-QLFBSQMISA-N -1 0 319.357 1.466 50 0 DDAARM COCc1cccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000299748808 229391049 /nfs/dbraw/zinc/39/10/49/229391049.db2.gz IGYXVDWKCMXZPK-UHFFFAOYSA-N -1 0 321.373 1.929 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCO1 ZINC000299750873 229393249 /nfs/dbraw/zinc/39/32/49/229393249.db2.gz OOGVNMXHMLVIAI-CQSZACIVSA-N -1 0 319.357 1.047 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000299750369 229394126 /nfs/dbraw/zinc/39/41/26/229394126.db2.gz NGYGCROSNWFYMM-AGIUHOORSA-N -1 0 309.749 1.756 50 0 DDAARM Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)cnn1 ZINC000630191615 421948306 /nfs/dbraw/zinc/94/83/06/421948306.db2.gz UNAOZPNXVUPDBU-LLVKDONJSA-N -1 0 315.329 1.739 50 0 DDAARM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc(Cl)cn1 ZINC000584906965 422303636 /nfs/dbraw/zinc/30/36/36/422303636.db2.gz WTDNLUNCSPINLX-GFCCVEGCSA-N -1 0 314.736 1.768 50 0 DDAARM CC[C@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O ZINC000252523224 287714746 /nfs/dbraw/zinc/71/47/46/287714746.db2.gz CCCFZDZVGIJSFH-GWCFXTLKSA-N -1 0 320.393 1.199 50 0 DDAARM CCc1nnsc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000268883747 288657404 /nfs/dbraw/zinc/65/74/04/288657404.db2.gz ACZHQVHZDWHQMX-LBPRGKRZSA-N -1 0 317.370 1.752 50 0 DDAARM COc1ccccc1NC(=O)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000004318868 295374431 /nfs/dbraw/zinc/37/44/31/295374431.db2.gz JVPAECXKEZTUBV-CYBMUJFWSA-N -1 0 318.329 1.860 50 0 DDAARM NC(=O)[C@@H]1Cc2ccccc2N1C(=O)Cc1ccccc1C(=O)[O-] ZINC000072324557 303318206 /nfs/dbraw/zinc/31/82/06/303318206.db2.gz YYEBHRDDOOVJGP-HNNXBMFYSA-N -1 0 324.336 1.371 50 0 DDAARM O=c1c2c([n-]n1-c1nc(C(F)(F)F)cc(=O)[nH]1)CCCC2 ZINC000013146583 304815760 /nfs/dbraw/zinc/81/57/60/304815760.db2.gz RGAKQYIMJQDJSU-UHFFFAOYSA-N -1 0 300.240 1.147 50 0 DDAARM CCn1nncc1/C=C\c1cc(C(=O)[O-])c2c(C)nn(C)c2n1 ZINC000579479783 308535167 /nfs/dbraw/zinc/53/51/67/308535167.db2.gz CWICUAGONLSTGH-WAYWQWQTSA-N -1 0 312.333 1.757 50 0 DDAARM C[C@@H](CN(C)C(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000328594960 533705911 /nfs/dbraw/zinc/70/59/11/533705911.db2.gz GUBXSEPKBJGIMK-MALLOTDXSA-N -1 0 305.330 1.650 50 0 DDAARM Cc1cccc(N2N=C(C(=O)NCCCC(=O)[O-])CCC2=O)c1 ZINC000084210750 483991784 /nfs/dbraw/zinc/99/17/84/483991784.db2.gz NSGZBGHILHOGQO-UHFFFAOYSA-N -1 0 317.345 1.459 50 0 DDAARM CC1=NN(c2ccc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)[O-])cc2)CC1 ZINC000659169509 484668381 /nfs/dbraw/zinc/66/83/81/484668381.db2.gz DHJLAHIYTMMIJE-KGLIPLIRSA-N -1 0 317.345 1.245 50 0 DDAARM O=C([O-])CN1CC[C@H](Oc2ccccc2Br)C1=O ZINC000663218803 484742613 /nfs/dbraw/zinc/74/26/13/484742613.db2.gz HYTSYXBCOBGIIJ-JTQLQIEISA-N -1 0 314.135 1.513 50 0 DDAARM COc1ccccc1OCCCN(C)C(=O)N[C@H](C)C(=O)[O-] ZINC000426596686 534198785 /nfs/dbraw/zinc/19/87/85/534198785.db2.gz XTJSAHUOFJJFAR-LLVKDONJSA-N -1 0 310.350 1.579 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000299741010 534520023 /nfs/dbraw/zinc/52/00/23/534520023.db2.gz CUPICPWWTZMMLZ-OAHLLOKOSA-N -1 0 313.357 1.868 50 0 DDAARM CC(C)[C@@H](C(=O)N(C)CCC(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000299752542 528350083 /nfs/dbraw/zinc/35/00/83/528350083.db2.gz UNTGKTOEEVZOTR-BZPMIXESSA-N -1 0 300.399 1.053 50 0 DDAARM CCOc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])CO2 ZINC000299741788 528619890 /nfs/dbraw/zinc/61/98/90/528619890.db2.gz GCFJKDALVLJVBF-OCCSQVGLSA-N -1 0 319.357 1.712 50 0 DDAARM O=C([O-])C[C@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000390908849 545661856 /nfs/dbraw/zinc/66/18/56/545661856.db2.gz WBXPINAVJNBKRV-UONOGXRCSA-N -1 0 322.405 1.491 50 0 DDAARM COC(=O)C[C@@H](c1ccco1)c1c(=O)nc2ccccn2c1[O-] ZINC000206252609 563618629 /nfs/dbraw/zinc/61/86/29/563618629.db2.gz OXXQLXRVAAWBOS-JTQLQIEISA-N -1 0 314.297 1.688 50 0 DDAARM CC(=O)N[C@@H](CCCNC(=S)Nc1ccccc1)C(=O)[O-] ZINC000012379479 696049667 /nfs/dbraw/zinc/04/96/67/696049667.db2.gz SJUGFKDRSWBFSN-LBPRGKRZSA-N -1 0 309.391 1.343 50 0 DDAARM CC(C)Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])[nH]c(=O)n1 ZINC000952972190 721529738 /nfs/dbraw/zinc/52/97/38/721529738.db2.gz UZOZCPCIHYYQLN-LBPRGKRZSA-N -1 0 307.350 1.460 50 0 DDAARM Cc1cc(C)n(CCCNC(=O)c2cnc(C3CC3)[nH]c2=O)n1 ZINC000825285653 759236298 /nfs/dbraw/zinc/23/62/98/759236298.db2.gz BZWWNZFSDWDVCL-UHFFFAOYSA-N -1 0 315.377 1.693 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2sccc2C(=O)NC)cn1 ZINC000952884060 775644083 /nfs/dbraw/zinc/64/40/83/775644083.db2.gz SPTCZZMXDIABOL-UHFFFAOYSA-N -1 0 314.392 1.125 50 0 DDAARM COc1cc[nH]c(=NNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)n1 ZINC000073545959 539033351 /nfs/dbraw/zinc/03/33/51/539033351.db2.gz ICRMYEXSBXZTEX-GHMZBOCLSA-N -1 0 302.309 1.871 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000095435636 185364633 /nfs/dbraw/zinc/36/46/33/185364633.db2.gz OVKONQFRKUSMKB-VXGBXAGGSA-N -1 0 302.334 1.239 50 0 DDAARM Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1F ZINC000095471820 185372691 /nfs/dbraw/zinc/37/26/91/185372691.db2.gz HBSBBDSJLMYOQB-UHFFFAOYSA-N -1 0 304.277 1.633 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328591028 529879300 /nfs/dbraw/zinc/87/93/00/529879300.db2.gz PRPPVXCUGXMALG-FNORWQNLSA-N -1 0 305.330 1.794 50 0 DDAARM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263270386 282395478 /nfs/dbraw/zinc/39/54/78/282395478.db2.gz LWWUNWZVORBUIK-STQMWFEESA-N -1 0 321.377 1.841 50 0 DDAARM COc1ccc2c([O-])nn(S(=O)(=O)C[C@H]3CCCO3)c2c1 ZINC000585086324 539556122 /nfs/dbraw/zinc/55/61/22/539556122.db2.gz ADJYRLBKGJERMT-SNVBAGLBSA-N -1 0 312.347 1.107 50 0 DDAARM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000084025622 192396198 /nfs/dbraw/zinc/39/61/98/192396198.db2.gz VPNHHKCKLUINBS-UHFFFAOYSA-N -1 0 307.331 1.587 50 0 DDAARM Cc1cc(NS(=O)(=O)C[C@@H]2CCCO2)c(C(=O)[O-])cc1C ZINC000279982266 215289127 /nfs/dbraw/zinc/28/91/27/215289127.db2.gz QALFSBVZDGDBHI-NSHDSACASA-N -1 0 313.375 1.922 50 0 DDAARM C[C@@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1n[nH]c(=O)[n-]1 ZINC000072148659 191054970 /nfs/dbraw/zinc/05/49/70/191054970.db2.gz ULVCXAIKAHCQHC-SSDOTTSWSA-N -1 0 316.369 1.245 50 0 DDAARM O=C([O-])CN(C(=O)c1csc(C2CC2)n1)C1CCOCC1 ZINC000141739739 186031097 /nfs/dbraw/zinc/03/10/97/186031097.db2.gz FRYVFCMEXCDXOY-UHFFFAOYSA-N -1 0 310.375 1.726 50 0 DDAARM C[C@H](O)[C@H](Nc1ccccc1CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000000088504 180688738 /nfs/dbraw/zinc/68/87/38/180688738.db2.gz VCESZMABSRMDDJ-HZMBPMFUSA-N -1 0 309.362 1.817 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(NC[C@H]3CCCO3)n2)c1 ZINC000072462914 191172990 /nfs/dbraw/zinc/17/29/90/191172990.db2.gz HREHQMNMPOJPNN-LLVKDONJSA-N -1 0 300.318 1.828 50 0 DDAARM Cn1ccnc1CN1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072468351 191176367 /nfs/dbraw/zinc/17/63/67/191176367.db2.gz XJXAJGUHPCKASG-UHFFFAOYSA-N -1 0 303.366 1.040 50 0 DDAARM Cn1c(C(=O)[N-]S(C)(=O)=O)cc2cc(C(F)(F)F)ccc21 ZINC000076089954 353398419 /nfs/dbraw/zinc/39/84/19/353398419.db2.gz JPZACHRGDCKJAX-UHFFFAOYSA-N -1 0 320.292 1.887 50 0 DDAARM C[C@@H](CCc1ccccc1F)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268978418 295873074 /nfs/dbraw/zinc/87/30/74/295873074.db2.gz LMUHSCJEIUFNNR-FZMZJTMJSA-N -1 0 309.337 1.706 50 0 DDAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccn2)cc1 ZINC000004002300 181061408 /nfs/dbraw/zinc/06/14/08/181061408.db2.gz MNLRUOZDLPCPLN-UHFFFAOYSA-N -1 0 322.342 1.370 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)Cc2cn3ccsc3n2)cc1 ZINC000078355227 191851857 /nfs/dbraw/zinc/85/18/57/191851857.db2.gz LGTSONHYWKRBKZ-UHFFFAOYSA-N -1 0 315.354 1.953 50 0 DDAARM CCCc1c(C(=O)NCC(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000236860477 202040848 /nfs/dbraw/zinc/04/08/48/202040848.db2.gz ZTSIKDUYYNULTH-UHFFFAOYSA-N -1 0 322.752 1.688 50 0 DDAARM COc1cc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc(OC)c1C ZINC000089534619 192812106 /nfs/dbraw/zinc/81/21/06/192812106.db2.gz JURNAHYOFWRLTI-LBPRGKRZSA-N -1 0 307.346 1.995 50 0 DDAARM C[C@@]1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCc2ccccc21 ZINC000237537714 202275290 /nfs/dbraw/zinc/27/52/90/202275290.db2.gz DJVHNFNJASCDMW-RDTXWAMCSA-N -1 0 317.385 1.983 50 0 DDAARM Cc1ccc(N2C[C@@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)cc1 ZINC000237647490 202317031 /nfs/dbraw/zinc/31/70/31/202317031.db2.gz QCQZEOVCFDWPLK-NSHDSACASA-N -1 0 302.330 1.081 50 0 DDAARM Cn1cc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000237706855 202333272 /nfs/dbraw/zinc/33/32/72/202333272.db2.gz NVBOKOWKAPBEDN-CYBMUJFWSA-N -1 0 320.370 1.689 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)coc2c1C ZINC000237871259 202375089 /nfs/dbraw/zinc/37/50/89/202375089.db2.gz VQXGTQKPDNDODP-CQSZACIVSA-N -1 0 317.341 1.904 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1cc(-c2ccccc2)on1 ZINC000238070179 202433880 /nfs/dbraw/zinc/43/38/80/202433880.db2.gz SZOHHINDGLEMPZ-CYBMUJFWSA-N -1 0 300.314 1.960 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2cnn3c2CCCC3)n1 ZINC000190996789 200614377 /nfs/dbraw/zinc/61/43/77/200614377.db2.gz AVFXZPPVDSKMBG-UHFFFAOYSA-N -1 0 306.347 1.304 50 0 DDAARM O=C([O-])C1(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000191624809 200732089 /nfs/dbraw/zinc/73/20/89/200732089.db2.gz GVQPBEMGYNFLLA-LBPRGKRZSA-N -1 0 308.378 1.149 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2oc(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193050134 200983485 /nfs/dbraw/zinc/98/34/85/200983485.db2.gz LGZZHPLIUBPJNQ-BONVTDFDSA-N -1 0 310.350 1.680 50 0 DDAARM CC(C)(CNC(=O)c1ccn(-c2ccccc2F)n1)C(=O)[O-] ZINC000195542161 201403734 /nfs/dbraw/zinc/40/37/34/201403734.db2.gz AAKRAMWUCCJOTH-UHFFFAOYSA-N -1 0 305.309 1.852 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@H]2COc3ccccc32)n1 ZINC000090932676 192954200 /nfs/dbraw/zinc/95/42/00/192954200.db2.gz LYVASRJPDBHZAM-VIFPVBQESA-N -1 0 304.327 1.634 50 0 DDAARM O=C([O-])[C@@H]1CN(Cc2ncc[nH]2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091547836 193071884 /nfs/dbraw/zinc/07/18/84/193071884.db2.gz RSGHEQHBOLFLIF-NWDGAFQWSA-N -1 0 315.329 1.439 50 0 DDAARM CNc1nc(N2CCC[C@@](CCOC)(C(=O)[O-])C2)ncc1F ZINC000091563414 193073385 /nfs/dbraw/zinc/07/33/85/193073385.db2.gz BGXDFQCZCARYPM-AWEZNQCLSA-N -1 0 312.345 1.365 50 0 DDAARM CC[C@@H](OC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262203437 203228978 /nfs/dbraw/zinc/22/89/78/203228978.db2.gz SLGYWOWOHODXNH-ZIAGYGMSSA-N -1 0 304.346 1.705 50 0 DDAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3ccco3)sc2C(=O)C1 ZINC000299762523 304153470 /nfs/dbraw/zinc/15/34/70/304153470.db2.gz WYMAHMNXOLFMCB-ZCFIWIBFSA-N -1 0 306.299 1.818 50 0 DDAARM Cc1ccoc1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1 ZINC000095982563 193476457 /nfs/dbraw/zinc/47/64/57/193476457.db2.gz VNGUJIPYNIATII-GFCCVEGCSA-N -1 0 303.318 1.960 50 0 DDAARM CCCOc1ccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)cc1 ZINC000019720818 182138183 /nfs/dbraw/zinc/13/81/83/182138183.db2.gz AYYMLDSTRUJRGN-GFCCVEGCSA-N -1 0 323.370 1.925 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000262699136 304177902 /nfs/dbraw/zinc/17/79/02/304177902.db2.gz YIFAXYNGMODAEY-WDEREUQCSA-N -1 0 322.327 1.726 50 0 DDAARM O=C([O-])CCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020201038 182196976 /nfs/dbraw/zinc/19/69/76/182196976.db2.gz ZRTLHIYSXAKRER-JTQLQIEISA-N -1 0 324.764 1.674 50 0 DDAARM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088376294 296210029 /nfs/dbraw/zinc/21/00/29/296210029.db2.gz XMHMHCHSYVZVPS-MWLCHTKSSA-N -1 0 313.737 1.419 50 0 DDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=N)NC1=O ZINC000023128333 182350174 /nfs/dbraw/zinc/35/01/74/182350174.db2.gz ISFSSOHPPFGYKX-PAKSIRSJSA-N -1 0 300.343 1.707 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262168703 304186741 /nfs/dbraw/zinc/18/67/41/304186741.db2.gz UVSASAMRJPEGHW-LLVKDONJSA-N -1 0 320.370 1.810 50 0 DDAARM CCOc1cccc2cc(-c3nn(CC(=O)[O-])c(=O)o3)oc21 ZINC000040448209 183068621 /nfs/dbraw/zinc/06/86/21/183068621.db2.gz LULWYHXPGYGMER-UHFFFAOYSA-N -1 0 304.258 1.733 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)N2CCOCC2)cc1 ZINC000057638238 184043739 /nfs/dbraw/zinc/04/37/39/184043739.db2.gz ZUCYRMUCASHTOT-CYBMUJFWSA-N -1 0 307.346 1.502 50 0 DDAARM CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268956220 207121688 /nfs/dbraw/zinc/12/16/88/207121688.db2.gz VEVXIZZQUXWMLH-WDSKDSINSA-N -1 0 308.281 1.841 50 0 DDAARM CC(=O)c1cc2c(cc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C)OCO2 ZINC000062001819 184200989 /nfs/dbraw/zinc/20/09/89/184200989.db2.gz WHRMSMCHROEEOW-CHWSQXEVSA-N -1 0 319.313 1.913 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CCN2C ZINC000269093046 207234084 /nfs/dbraw/zinc/23/40/84/207234084.db2.gz WNJGRQZTMCNUKT-UHFFFAOYSA-N -1 0 305.334 1.012 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000062912996 184259442 /nfs/dbraw/zinc/25/94/42/184259442.db2.gz AXXSFWFSPRIGQX-LLVKDONJSA-N -1 0 301.140 1.714 50 0 DDAARM Cc1cc(C)n([N-]C(=O)c2coc3c2C(=O)CCC3)c(=O)c1 ZINC000067490908 291862217 /nfs/dbraw/zinc/86/22/17/291862217.db2.gz SZYLLIBYBRLYDY-UHFFFAOYSA-N -1 0 300.314 1.961 50 0 DDAARM O=C([O-])C1(C(=O)N2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000154936375 197006686 /nfs/dbraw/zinc/00/66/86/197006686.db2.gz FKPNWFHQQSJKCY-CQSZACIVSA-N -1 0 303.358 1.917 50 0 DDAARM CN1CC[C@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1=O ZINC000124807117 195682151 /nfs/dbraw/zinc/68/21/51/195682151.db2.gz GNDZKMNXPXFKOF-NSHDSACASA-N -1 0 318.373 1.856 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)C2 ZINC000299744548 533284643 /nfs/dbraw/zinc/28/46/43/533284643.db2.gz SVBXJNQLIVGBKK-NWDGAFQWSA-N -1 0 305.330 1.179 50 0 DDAARM COC(=O)c1c[nH]nc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000071280573 292029635 /nfs/dbraw/zinc/02/96/35/292029635.db2.gz GOUIQXNPLAMBPT-UHFFFAOYSA-N -1 0 303.274 1.076 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cnc(C)cn2)(C(=O)[O-])C1(C)C ZINC000262850709 286309690 /nfs/dbraw/zinc/30/96/90/286309690.db2.gz WUHONENNYALLRO-IAQYHMDHSA-N -1 0 307.350 1.173 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000261636143 407564818 /nfs/dbraw/zinc/56/48/18/407564818.db2.gz DKPZVPJFJIALEI-RBOXIYTFSA-N -1 0 313.357 1.589 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnn(C)c2)C1 ZINC000091973784 292379410 /nfs/dbraw/zinc/37/94/10/292379410.db2.gz XETQLRQRXROXPW-HNNXBMFYSA-N -1 0 309.366 1.154 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1ccc(I)cc1 ZINC000000282103 406636473 /nfs/dbraw/zinc/63/64/73/406636473.db2.gz KSVGHDGDESFZOK-AATRIKPKSA-N -1 0 317.082 1.871 50 0 DDAARM O=C([O-])[C@@]1(CCC(=O)NCc2ccccc2)CCC(=O)NC1 ZINC000000053602 406618762 /nfs/dbraw/zinc/61/87/62/406618762.db2.gz KFUNZJUZXYJCRY-INIZCTEOSA-N -1 0 304.346 1.064 50 0 DDAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCC2 ZINC000000096094 406621358 /nfs/dbraw/zinc/62/13/58/406621358.db2.gz SQUAHUSIKRIWOG-VOTSOKGWSA-N -1 0 309.343 1.993 50 0 DDAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2ncccn2)CC1 ZINC000000157790 406626750 /nfs/dbraw/zinc/62/67/50/406626750.db2.gz XTRHXSWVHXVFSR-UHFFFAOYSA-N -1 0 306.366 1.016 50 0 DDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000276485 406636893 /nfs/dbraw/zinc/63/68/93/406636893.db2.gz BNKUFAPLNXFUTK-VXGBXAGGSA-N -1 0 305.330 1.923 50 0 DDAARM C[C@@H](NC(=O)COc1cccc(Br)c1)C(=O)[O-] ZINC000000240008 406634012 /nfs/dbraw/zinc/63/40/12/406634012.db2.gz SSXFPIXHYNCVTM-SSDOTTSWSA-N -1 0 302.124 1.417 50 0 DDAARM CC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[n-]c1=O ZINC000001383287 406666812 /nfs/dbraw/zinc/66/68/12/406666812.db2.gz UYSIQLKSSIWSEN-UHFFFAOYSA-N -1 0 300.101 1.430 50 0 DDAARM CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001626041 406675786 /nfs/dbraw/zinc/67/57/86/406675786.db2.gz MSDUZLXFEMEMNF-AAEUAGOBSA-N -1 0 322.361 1.527 50 0 DDAARM [NH3+][C@H](CCOCC[P@@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002087679 406682501 /nfs/dbraw/zinc/68/25/01/406682501.db2.gz YCFBPVMSYXKSGI-CYBMUJFWSA-N -1 0 315.306 1.318 50 0 biogenic DDAARM CNC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2 ZINC000002589785 406689824 /nfs/dbraw/zinc/68/98/24/406689824.db2.gz OORGYRZLLDOBHG-UHFFFAOYSA-N -1 0 310.375 1.790 50 0 DDAARM C[C@@H]1C[C@H](c2ccccc2)n2nc([N-]S(C)(=O)=O)nc2N1 ZINC000005497987 406733092 /nfs/dbraw/zinc/73/30/92/406733092.db2.gz BTBPSPJYTFUGLY-MWLCHTKSSA-N -1 0 307.379 1.443 50 0 DDAARM Cc1n[n-]c(SCC(=O)Nc2ccc(F)c(F)c2)nc1=O ZINC000003249051 406717746 /nfs/dbraw/zinc/71/77/46/406717746.db2.gz XCDNKOGHWXANKV-UHFFFAOYSA-N -1 0 312.301 1.482 50 0 DDAARM Cc1ncc2c(c1O)[C@H](c1c([O-])[nH]c(=S)n(C)c1=O)OC2 ZINC000009190211 406805030 /nfs/dbraw/zinc/80/50/30/406805030.db2.gz HUBZMKDAYLEDJC-SNVBAGLBSA-N -1 0 307.331 1.177 50 0 DDAARM CCCCn1nc(C(=O)NC2(C(=O)[O-])CCCCC2)ccc1=O ZINC000069966592 406795779 /nfs/dbraw/zinc/79/57/79/406795779.db2.gz NPJRGSWOSUTGGU-UHFFFAOYSA-N -1 0 321.377 1.561 50 0 DDAARM CN(C)C(=O)Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071285111 406836362 /nfs/dbraw/zinc/83/63/62/406836362.db2.gz QLWOAIMSJKYMEJ-KBPBESRZSA-N -1 0 318.373 1.613 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NN2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000012461841 406845933 /nfs/dbraw/zinc/84/59/33/406845933.db2.gz BOVGTQGAOIONJV-BETUJISGSA-N -1 0 323.418 1.630 50 0 world DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@@H]2C)cc1OC ZINC000013182554 406859065 /nfs/dbraw/zinc/85/90/65/406859065.db2.gz FSNWQCIXSAIILV-WCQGTBRESA-N -1 0 307.346 1.992 50 0 DDAARM CCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170739 406859328 /nfs/dbraw/zinc/85/93/28/406859328.db2.gz WMGGURKWFMHSOP-LBPRGKRZSA-N -1 0 307.346 1.787 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C)cc1OC ZINC000014248838 406874452 /nfs/dbraw/zinc/87/44/52/406874452.db2.gz CLFXWYSYDKWHQC-UHFFFAOYSA-N -1 0 311.363 1.547 50 0 DDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000072275640 406877853 /nfs/dbraw/zinc/87/78/53/406877853.db2.gz DINNQOWLDYFKAV-SDBXPKJASA-N -1 0 317.263 1.725 50 0 DDAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cn1 ZINC000075162090 406926392 /nfs/dbraw/zinc/92/63/92/406926392.db2.gz MDWKDWNPXQELIW-UHFFFAOYSA-N -1 0 314.317 1.622 50 0 DDAARM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1cccs1 ZINC000032777579 406953470 /nfs/dbraw/zinc/95/34/70/406953470.db2.gz BOSVRIUORHEXJY-UHFFFAOYSA-N -1 0 307.360 1.525 50 0 DDAARM CC[C@@H](C)NC(=O)CSc1nn(-c2ccccc2)c(=O)[n-]1 ZINC000032871481 406955455 /nfs/dbraw/zinc/95/54/55/406955455.db2.gz SIUXMMWNQCIPDI-SNVBAGLBSA-N -1 0 306.391 1.567 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2[nH]c(=O)oc2c1 ZINC000033266486 406960258 /nfs/dbraw/zinc/96/02/58/406960258.db2.gz ZXTXEYVMICORLF-UHFFFAOYSA-N -1 0 309.303 1.527 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000037793289 406994301 /nfs/dbraw/zinc/99/43/01/406994301.db2.gz WUTZSCPHVZKDEV-SFYZADRCSA-N -1 0 304.224 1.682 50 0 DDAARM Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3nnn[n-]3)cc2)n1 ZINC000077520707 406994486 /nfs/dbraw/zinc/99/44/86/406994486.db2.gz JFICPFXTNUVUPQ-NSHDSACASA-N -1 0 311.349 1.493 50 0 DDAARM CCc1cccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)c1 ZINC000048991466 407112940 /nfs/dbraw/zinc/11/29/40/407112940.db2.gz JXDDCYYFGRZGAE-UHFFFAOYSA-N -1 0 309.347 1.560 50 0 DDAARM CN(Cc1ccoc1)[C@H](C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000095370065 407209829 /nfs/dbraw/zinc/20/98/29/407209829.db2.gz NTHIGUHNCQLNQF-AWEZNQCLSA-N -1 0 323.370 1.941 50 0 DDAARM COc1ccc(CNC(=O)Cc2c(C)noc2C)cc1C(=O)[O-] ZINC000095947087 407216409 /nfs/dbraw/zinc/21/64/09/407216409.db2.gz IKGJAKUORJMLHO-UHFFFAOYSA-N -1 0 318.329 1.857 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000122873963 407312959 /nfs/dbraw/zinc/31/29/59/407312959.db2.gz ATZVWSBXSQSITG-UWVGGRQHSA-N -1 0 321.283 1.988 50 0 DDAARM Cc1nc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1C ZINC000195574187 407466828 /nfs/dbraw/zinc/46/68/28/407466828.db2.gz FFXNSEIRWBYLMO-NEPJUHHUSA-N -1 0 314.455 1.127 50 0 DDAARM CCC[C@@H](NC(=O)C[C@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000170656058 407466776 /nfs/dbraw/zinc/46/67/76/407466776.db2.gz RGPPKROOYARCPC-ZIAGYGMSSA-N -1 0 315.377 1.861 50 0 DDAARM O=C([O-])c1ccccc1-c1cc(C(=O)N2CCOCC2)ccn1 ZINC000215006268 407479533 /nfs/dbraw/zinc/47/95/33/407479533.db2.gz CTJIOUZFUMVCJI-UHFFFAOYSA-N -1 0 312.325 1.919 50 0 DDAARM O=C([O-])CCc1ccc(-c2nccc(N3CC[C@H](O)C3)n2)cc1 ZINC000216005197 407492808 /nfs/dbraw/zinc/49/28/08/407492808.db2.gz RUFQQYVAKALSHR-AWEZNQCLSA-N -1 0 313.357 1.732 50 0 DDAARM CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000170625361 407457557 /nfs/dbraw/zinc/45/75/57/407457557.db2.gz WFZQIMAJEBXUQX-JTQLQIEISA-N -1 0 316.379 1.427 50 0 DDAARM Cc1nc(N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000222413221 407557629 /nfs/dbraw/zinc/55/76/29/407557629.db2.gz JVIUOOVAQGKTIY-HLUHBDAQSA-N -1 0 323.784 1.802 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CCO1 ZINC000261920563 407672958 /nfs/dbraw/zinc/67/29/58/407672958.db2.gz HVZRQKIFQUDKAK-ZDUSSCGKSA-N -1 0 323.732 1.428 50 0 DDAARM CC(C)CN(CC(F)(F)F)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000236652836 407739943 /nfs/dbraw/zinc/73/99/43/407739943.db2.gz JENUHPZYYSVRJI-SNVBAGLBSA-N -1 0 310.316 1.582 50 0 DDAARM CNC(=O)[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000237156156 407800331 /nfs/dbraw/zinc/80/03/31/407800331.db2.gz BYCZSFPFOUHWQJ-AWEZNQCLSA-N -1 0 318.373 1.302 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCO1 ZINC000238050965 407877884 /nfs/dbraw/zinc/87/78/84/407877884.db2.gz MYMBAEVVBQDZDG-ZDUSSCGKSA-N -1 0 307.321 1.559 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000238071218 407885278 /nfs/dbraw/zinc/88/52/78/407885278.db2.gz NAGXKCYTXUQJKJ-ZDUSSCGKSA-N -1 0 314.345 1.268 50 0 DDAARM C[C@H](NC(=O)c1cccn1C)c1ccc(OCC(=O)[O-])cc1 ZINC000262948880 407980481 /nfs/dbraw/zinc/98/04/81/407980481.db2.gz HEDNZKBZURPQAI-NSHDSACASA-N -1 0 302.330 1.980 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136513956 408111000 /nfs/dbraw/zinc/11/10/00/408111000.db2.gz ALEDXPBGPYYVLD-IINYFYTJSA-N -1 0 307.394 1.681 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@H](c2nccn2C)C2CC2)C1 ZINC000263342019 408112424 /nfs/dbraw/zinc/11/24/24/408112424.db2.gz NQVZVUBLEKZUJE-RTXFEEFZSA-N -1 0 320.393 1.623 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cn(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193027010 408684588 /nfs/dbraw/zinc/68/45/88/408684588.db2.gz STWZGKVVWPEJCL-XHDPSFHLSA-N -1 0 309.366 1.117 50 0 DDAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)CN2CCCC2=O)cc1 ZINC000163614440 408784235 /nfs/dbraw/zinc/78/42/35/408784235.db2.gz ISPDNZHXIOFYDC-UHFFFAOYSA-N -1 0 304.346 1.610 50 0 DDAARM Cc1cccc(OCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000314786017 409830071 /nfs/dbraw/zinc/83/00/71/409830071.db2.gz BTRXNFBFLRBYGN-AWEZNQCLSA-N -1 0 307.346 1.384 50 0 DDAARM CCCS(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299751878 410605691 /nfs/dbraw/zinc/60/56/91/410605691.db2.gz SBXXXCVRPIXPEV-UTUOFQBUSA-N -1 0 317.407 1.056 50 0 DDAARM Cc1ccc(OCCNC(=O)c2cnc(C(=O)[O-])cn2)c(C)c1 ZINC000580151085 422892724 /nfs/dbraw/zinc/89/27/24/422892724.db2.gz BVJQXEISACVODR-UHFFFAOYSA-N -1 0 315.329 1.600 50 0 DDAARM Cc1noc(CCNC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000118781982 418501835 /nfs/dbraw/zinc/50/18/35/418501835.db2.gz TZSUMCKMPMUMFH-UHFFFAOYSA-N -1 0 304.331 1.780 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCc2snnc2C)c1 ZINC000426642921 419524647 /nfs/dbraw/zinc/52/46/47/419524647.db2.gz PHEFJFSMSWQJGJ-UHFFFAOYSA-N -1 0 307.331 1.483 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2ccc(-n3cccn3)cc2)CCSC1 ZINC000299741348 229377407 /nfs/dbraw/zinc/37/74/07/229377407.db2.gz FDSDPTHILSVYCW-HNNXBMFYSA-N -1 0 317.370 1.562 50 0 DDAARM Cc1ccc(OCC(=O)N(CC(=O)[O-])C2CCOCC2)c(C)c1 ZINC000299748205 229392262 /nfs/dbraw/zinc/39/22/62/229392262.db2.gz GLADYYNXSOKPKZ-UHFFFAOYSA-N -1 0 321.373 1.774 50 0 DDAARM N=c1[n-]nc([C@@H]2CCCN(C(=O)Cc3ccc(F)c(F)c3)C2)o1 ZINC000585131182 422308923 /nfs/dbraw/zinc/30/89/23/422308923.db2.gz NXJQBQZENIYWDI-SNVBAGLBSA-N -1 0 322.315 1.709 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)[C@@H]1C(=O)[O-] ZINC000071286302 281465751 /nfs/dbraw/zinc/46/57/51/281465751.db2.gz HTLGGZBODHPFSC-NWDGAFQWSA-N -1 0 304.302 1.962 50 0 DDAARM CN1CC[C@H](C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1=O ZINC000246742537 290192634 /nfs/dbraw/zinc/19/26/34/290192634.db2.gz YWQIFRKOUGBGHP-RVMXOQNASA-N -1 0 308.378 1.099 50 0 DDAARM COc1cccc2c1OCCCN(Cc1c[nH]nc1C(=O)[O-])C2 ZINC000071751793 295339855 /nfs/dbraw/zinc/33/98/55/295339855.db2.gz WCNNCZPLSLMVRL-UHFFFAOYSA-N -1 0 317.345 1.901 50 0 DDAARM C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000237446992 298759361 /nfs/dbraw/zinc/75/93/61/298759361.db2.gz WHRTVRMIOIUNPQ-ZJUUUORDSA-N -1 0 324.764 1.530 50 0 DDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc(=O)[nH]1 ZINC000217966771 301125660 /nfs/dbraw/zinc/12/56/60/301125660.db2.gz XOKMQAIBWHHRFZ-CQSZACIVSA-N -1 0 312.325 1.335 50 0 DDAARM Cc1cc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)[O-])sc1C ZINC000263444168 301126300 /nfs/dbraw/zinc/12/63/00/301126300.db2.gz QKUNPVPPHWZOJR-JTQLQIEISA-N -1 0 320.374 1.374 50 0 DDAARM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000263347887 301153185 /nfs/dbraw/zinc/15/31/85/301153185.db2.gz URXCYDRWOVOCRJ-GFCCVEGCSA-N -1 0 311.359 1.000 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)nc1C ZINC000530157960 303177389 /nfs/dbraw/zinc/17/73/89/303177389.db2.gz YHVDGGFJCRYFAG-UHFFFAOYSA-N -1 0 307.379 1.680 50 0 DDAARM Nc1nc(NCCO)cc(-c2ccc(CCC(=O)[O-])cc2)n1 ZINC000215948162 333387537 /nfs/dbraw/zinc/38/75/37/333387537.db2.gz FWZXYABYMSKXSD-UHFFFAOYSA-N -1 0 302.334 1.147 50 0 DDAARM O=C([O-])CNc1ncc(CN2CCc3sccc3C2)cn1 ZINC000534636329 334309408 /nfs/dbraw/zinc/30/94/08/334309408.db2.gz WYKDCKGTEAKRBM-UHFFFAOYSA-N -1 0 304.375 1.593 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000262061014 484261285 /nfs/dbraw/zinc/26/12/85/484261285.db2.gz HDWOJZSCEQGVPD-BREBYQMCSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000299747878 534533249 /nfs/dbraw/zinc/53/32/49/534533249.db2.gz FMGDQBYYFOHZQQ-GFCCVEGCSA-N -1 0 317.407 1.200 50 0 DDAARM CCn1c2ccccc2nc(N2CCC[C@@H](C(=O)[O-])C2)c1=O ZINC000045795933 536006097 /nfs/dbraw/zinc/00/60/97/536006097.db2.gz VTBNFEIVLIJQMA-LLVKDONJSA-N -1 0 301.346 1.717 50 0 DDAARM O=C([O-])c1ccc(OCCNC(=O)CCn2ccnc2)cc1 ZINC000739267510 599922098 /nfs/dbraw/zinc/92/20/98/599922098.db2.gz GNBRBKIRNDQZNC-UHFFFAOYSA-N -1 0 303.318 1.167 50 0 DDAARM CCOC(=O)C1=NN=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C12 ZINC000103633417 696614949 /nfs/dbraw/zinc/61/49/49/696614949.db2.gz RQNQYQISZWYHSV-UHFFFAOYSA-N -1 0 319.704 1.830 50 0 DDAARM O=C([O-])C[C@H](NC(=O)CCCn1cncn1)c1ccccc1 ZINC000238207252 697818013 /nfs/dbraw/zinc/81/80/13/697818013.db2.gz MWQUVKRCICXOHW-ZDUSSCGKSA-N -1 0 302.334 1.391 50 0 DDAARM CCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000864087703 706064400 /nfs/dbraw/zinc/06/44/00/706064400.db2.gz VKSXNINDTNWMNK-UHFFFAOYSA-N -1 0 310.375 1.521 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)c(F)c1 ZINC000887557521 709070706 /nfs/dbraw/zinc/07/07/06/709070706.db2.gz ROSGKRDURXDNTC-LBPRGKRZSA-N -1 0 306.337 1.834 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C=N[C@@H]3C=CC=C[C@H]32)cc1 ZINC000951726576 721155684 /nfs/dbraw/zinc/15/56/84/721155684.db2.gz CJQGZOFCJDPNBS-ZIAGYGMSSA-N -1 0 317.370 1.600 50 0 DDAARM CO[C@@H](CS(=O)(=O)[N-]c1ccnc2cccnc12)C1CC1 ZINC000585128764 771960753 /nfs/dbraw/zinc/96/07/53/771960753.db2.gz MYIJHQZCOWCERM-ZDUSSCGKSA-N -1 0 307.375 1.218 50 0 DDAARM Cc1ccccc1C1(C(=O)NCc2n[nH]c(=O)[n-]2)CCCCC1 ZINC000085382718 539169480 /nfs/dbraw/zinc/16/94/80/539169480.db2.gz YJZQBOFTTPPDAR-UHFFFAOYSA-N -1 0 314.389 1.925 50 0 DDAARM COCCN1CCN([C@H](C(=O)[O-])c2ccc(SC)cc2)CC1 ZINC000095392275 185351794 /nfs/dbraw/zinc/35/17/94/185351794.db2.gz HTVDFHZQTFAZQR-HNNXBMFYSA-N -1 0 324.446 1.798 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2cccc(-c3nnco3)c2)cn1 ZINC000095447444 185367925 /nfs/dbraw/zinc/36/79/25/185367925.db2.gz UWEDAWQEDSSRGZ-UHFFFAOYSA-N -1 0 319.346 1.754 50 0 DDAARM CN(C)c1ncncc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000095457206 185370433 /nfs/dbraw/zinc/37/04/33/185370433.db2.gz IWLMFVPLSCJXFD-UHFFFAOYSA-N -1 0 314.317 1.622 50 0 DDAARM Cc1nc([N-]S(=O)(=O)c2cc(C)ccc2Cl)n(C)n1 ZINC000097114401 185412536 /nfs/dbraw/zinc/41/25/36/185412536.db2.gz XFXKHTUNENQCSL-UHFFFAOYSA-N -1 0 300.771 1.886 50 0 DDAARM CC(C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1cc(C2CC2)nn1 ZINC000685942603 539566825 /nfs/dbraw/zinc/56/68/25/539566825.db2.gz XSBLTWNPILXHBB-WZRBSPASSA-N -1 0 306.366 1.332 50 0 DDAARM O=C([O-])/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1 ZINC000048523913 352541698 /nfs/dbraw/zinc/54/16/98/352541698.db2.gz HNGLDKROQNFVMZ-ATVHPVEESA-N -1 0 303.705 1.954 50 0 DDAARM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262858644 186314784 /nfs/dbraw/zinc/31/47/84/186314784.db2.gz VBDREGZNLNLEHF-MNOVXSKESA-N -1 0 320.345 1.446 50 0 DDAARM CC1(C)[C@H](C(=O)NNC(=O)[C@@H]2CC23CCC3)CC[C@]1(C)C(=O)[O-] ZINC000002026379 352110858 /nfs/dbraw/zinc/11/08/58/352110858.db2.gz ZLMAKDIFBKUXJD-XMZIXOGTSA-N -1 0 322.405 1.851 50 0 DDAARM O=C([O-])c1ccc(CNC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000002643563 180942774 /nfs/dbraw/zinc/94/27/74/180942774.db2.gz LSYPMRSYSNDMCY-UHFFFAOYSA-N -1 0 316.338 1.624 50 0 DDAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000002983184 180973645 /nfs/dbraw/zinc/97/36/45/180973645.db2.gz GERHSPZWUBRVHB-YLHGKKIISA-N -1 0 322.336 1.528 50 0 DDAARM O=C([O-])C1=Nc2nnnn2[C@@H](c2ccc(Br)cc2)C1 ZINC000004998542 304035829 /nfs/dbraw/zinc/03/58/29/304035829.db2.gz IESBJFYDBBFYNV-SECBINFHSA-N -1 0 322.122 1.419 50 0 DDAARM CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C(=O)[O-] ZINC000003407957 181015780 /nfs/dbraw/zinc/01/57/80/181015780.db2.gz MBVQFOUAWVGZHK-YPMHNXCESA-N -1 0 324.377 1.650 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 ZINC000003448554 181021816 /nfs/dbraw/zinc/02/18/16/181021816.db2.gz LUCHOYLZGZGVIS-UHFFFAOYSA-N -1 0 319.342 1.159 50 0 DDAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccco2)cc1 ZINC000004200383 181084543 /nfs/dbraw/zinc/08/45/43/181084543.db2.gz CXRHKIFNOLZTIZ-UHFFFAOYSA-N -1 0 309.343 1.864 50 0 DDAARM COCCC(=O)N[C@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000585134043 354811122 /nfs/dbraw/zinc/81/11/22/354811122.db2.gz BFEUBGJKBVMYBC-OAHLLOKOSA-N -1 0 301.342 1.988 50 0 DDAARM NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000005345101 181232537 /nfs/dbraw/zinc/23/25/37/181232537.db2.gz OYSQABBNAQZEPZ-UHFFFAOYSA-N -1 0 314.417 1.599 50 0 DDAARM CC(C)(C)C(=O)COC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000005574768 181259099 /nfs/dbraw/zinc/25/90/99/181259099.db2.gz XPEDGXDUAYINIL-UHFFFAOYSA-N -1 0 313.375 1.830 50 0 DDAARM CNC(=O)CC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000237123937 202160876 /nfs/dbraw/zinc/16/08/76/202160876.db2.gz BQSFPHZZRCFTQX-UHFFFAOYSA-N -1 0 304.346 1.373 50 0 DDAARM Cc1ccccc1-n1nc(C(=O)N(C)CC(=O)[O-])c2c1CCC2 ZINC000237182271 202179538 /nfs/dbraw/zinc/17/95/38/202179538.db2.gz XXYPBWMLFFEIAX-UHFFFAOYSA-N -1 0 313.357 1.826 50 0 DDAARM C[C@H](CN(C(=O)[C@@H]1Cc2cccc(F)c2O1)C1CC1)C(=O)[O-] ZINC000237612886 202304982 /nfs/dbraw/zinc/30/49/82/202304982.db2.gz ATPBXINVJBJCEZ-RNCFNFMXSA-N -1 0 307.321 1.841 50 0 DDAARM Cc1ccc(N2C[C@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)c(F)c1 ZINC000237654189 202318417 /nfs/dbraw/zinc/31/84/17/202318417.db2.gz FPNNFFZAVVBKPL-SNVBAGLBSA-N -1 0 320.320 1.220 50 0 DDAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)ccc1-n1cncn1 ZINC000237708187 202332922 /nfs/dbraw/zinc/33/29/22/202332922.db2.gz WHYIAFJZASMXGJ-LBPRGKRZSA-N -1 0 300.318 1.122 50 0 DDAARM NC(=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000237720962 202338611 /nfs/dbraw/zinc/33/86/11/202338611.db2.gz PEYMBJSIIGWBTI-LLVKDONJSA-N -1 0 304.346 1.503 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237685767 202328106 /nfs/dbraw/zinc/32/81/06/202328106.db2.gz FZXDQQIDYWCHIT-UHFFFAOYSA-N -1 0 301.346 1.845 50 0 DDAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)cnn1Cc1ccccc1 ZINC000237726471 202340691 /nfs/dbraw/zinc/34/06/91/202340691.db2.gz KXIDMYAPFCXIGF-UHFFFAOYSA-N -1 0 313.357 1.929 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)NCCC(=O)[O-])C2=O)cc1C ZINC000237784704 202353553 /nfs/dbraw/zinc/35/35/53/202353553.db2.gz NMMDDBPOMLVBGS-CYBMUJFWSA-N -1 0 304.346 1.247 50 0 DDAARM Cc1cnn(-c2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2)c1 ZINC000237914244 202389670 /nfs/dbraw/zinc/38/96/70/202389670.db2.gz SOCUOGQMRCQSMZ-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccc(-n3cccn3)c(F)c2)CC1 ZINC000238041728 202426263 /nfs/dbraw/zinc/42/62/63/202426263.db2.gz CAAAZPGUHFOQLS-UHFFFAOYSA-N -1 0 317.320 1.948 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000238055820 202430807 /nfs/dbraw/zinc/43/08/07/202430807.db2.gz XTQHSOFUOFYAMJ-CQSZACIVSA-N -1 0 314.345 1.406 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000271884696 209296025 /nfs/dbraw/zinc/29/60/25/209296025.db2.gz AZOYILTWXLBSCA-OAHLLOKOSA-N -1 0 322.386 1.013 50 0 DDAARM CC(C)(C(=O)NCC(=O)[O-])c1ccc(Br)cc1 ZINC000195529634 201397754 /nfs/dbraw/zinc/39/77/54/201397754.db2.gz KEJKPTJLBYDARC-UHFFFAOYSA-N -1 0 300.152 1.928 50 0 DDAARM COc1ccc(CNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000091594140 193077502 /nfs/dbraw/zinc/07/75/02/193077502.db2.gz LBNNLRWHKLDVBI-LSDHHAIUSA-N -1 0 318.373 1.947 50 0 DDAARM CCC[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-] ZINC000261831071 203128687 /nfs/dbraw/zinc/12/86/87/203128687.db2.gz BJHFREJKJGTIPW-LBPRGKRZSA-N -1 0 307.350 1.086 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@@H]2CSc3ccccc32)CCSC1 ZINC000092237629 304164216 /nfs/dbraw/zinc/16/42/16/304164216.db2.gz YJARHYAWNMTBCX-QMTHXVAHSA-N -1 0 309.412 1.952 50 0 DDAARM CCOc1ccccc1OCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170627 181836733 /nfs/dbraw/zinc/83/67/33/181836733.db2.gz HADBOIKBZFJPCX-LBPRGKRZSA-N -1 0 307.346 1.787 50 0 DDAARM COc1cc([C@H]2ON=C(C(=O)[O-])[C@H]2C)c(OC)c2c1OCO2 ZINC000014987662 181981555 /nfs/dbraw/zinc/98/15/55/181981555.db2.gz YJJCMPMXQUYKAT-LDWIPMOCSA-N -1 0 309.274 1.581 50 0 DDAARM CCn1ncc(CNC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c1C ZINC000017054978 182072951 /nfs/dbraw/zinc/07/29/51/182072951.db2.gz QYDZQURODCMETB-BBNOBNGHSA-N -1 0 319.405 1.965 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)NCc3ccco3)cc2[n-]c1=S ZINC000017305055 182082161 /nfs/dbraw/zinc/08/21/61/182082161.db2.gz YQUBGEMBHSNVQF-UHFFFAOYSA-N -1 0 315.354 1.745 50 0 DDAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1O ZINC000018137508 182094611 /nfs/dbraw/zinc/09/46/11/182094611.db2.gz DZBRREFWOOFABV-XVNBXDOJSA-N -1 0 313.107 1.344 50 0 DDAARM COc1ccccc1OCc1nnc(SCC(=O)[O-])n1C ZINC000032211842 182638111 /nfs/dbraw/zinc/63/81/11/182638111.db2.gz UHRUOTIXPVLYAX-UHFFFAOYSA-N -1 0 309.347 1.579 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)Cc2cn3ccsc3n2)CCSC1 ZINC000043509395 183368740 /nfs/dbraw/zinc/36/87/40/183368740.db2.gz CKUHTDBQLZYBRT-GFCCVEGCSA-N -1 0 311.388 1.015 50 0 DDAARM C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043701430 183382038 /nfs/dbraw/zinc/38/20/38/183382038.db2.gz RUDBRVUIELGVMU-BXKDBHETSA-N -1 0 313.737 1.419 50 0 DDAARM C[C@@H]1CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](C)C1 ZINC000004670189 296289854 /nfs/dbraw/zinc/28/98/54/296289854.db2.gz HEBMTWRHIVRPRG-QWRGUYRKSA-N -1 0 303.424 1.938 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000268874120 207043700 /nfs/dbraw/zinc/04/37/00/207043700.db2.gz AIAUJIIZWREAFG-ZJUUUORDSA-N -1 0 321.720 1.727 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc2c1OCCO2 ZINC000055685609 183994574 /nfs/dbraw/zinc/99/45/74/183994574.db2.gz VAHRDGHODQECCP-UHFFFAOYSA-N -1 0 310.331 1.863 50 0 DDAARM Cc1cccc(NC(=O)[C@@H](Cc2ccncc2)c2nnn[n-]2)c1 ZINC000057523510 184040852 /nfs/dbraw/zinc/04/08/52/184040852.db2.gz JZZLLWBVHGVZTH-AWEZNQCLSA-N -1 0 308.345 1.868 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1 ZINC000058267511 184097318 /nfs/dbraw/zinc/09/73/18/184097318.db2.gz IMPZXBFFPGGMEF-UHFFFAOYSA-N -1 0 312.329 1.137 50 0 DDAARM CC(C)(NC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000065415684 184340592 /nfs/dbraw/zinc/34/05/92/184340592.db2.gz PGYMLIAPRNZXFK-UHFFFAOYSA-N -1 0 313.357 1.954 50 0 DDAARM Cc1ccc(C)c(NC(=O)CC(=O)N[C@@H](C)c2nnn[n-]2)c1 ZINC000065533515 184362082 /nfs/dbraw/zinc/36/20/82/184362082.db2.gz ROCZELAKDIDSSH-JTQLQIEISA-N -1 0 302.338 1.023 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000269217553 207336157 /nfs/dbraw/zinc/33/61/57/207336157.db2.gz YRPSFTWQZVOKKO-LLVKDONJSA-N -1 0 317.370 1.681 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000261608914 304235489 /nfs/dbraw/zinc/23/54/89/304235489.db2.gz DLWUDWASBKYAGD-LBPRGKRZSA-N -1 0 303.236 1.524 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1ccnc(-n2cccn2)c1)C(=O)[O-] ZINC000156180407 197092862 /nfs/dbraw/zinc/09/28/62/197092862.db2.gz WAJGENJRXXIDKV-GFCCVEGCSA-N -1 0 302.334 1.496 50 0 DDAARM CN(C)c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cn1 ZINC000069664196 184834598 /nfs/dbraw/zinc/83/45/98/184834598.db2.gz WIYGYNKKFFYFGH-UHFFFAOYSA-N -1 0 317.374 1.825 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2ccc(OC)nc2)(C(=O)[O-])C1(C)C ZINC000262686377 286309564 /nfs/dbraw/zinc/30/95/64/286309564.db2.gz ARGONDOFBUGCGL-BDJLRTHQSA-N -1 0 322.361 1.478 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000261636135 407563473 /nfs/dbraw/zinc/56/34/73/407563473.db2.gz DKPZVPJFJIALEI-FFSVYQOJSA-N -1 0 313.357 1.589 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000000074414 406617647 /nfs/dbraw/zinc/61/76/47/406617647.db2.gz KTMGPIGNLAPLER-ZDUSSCGKSA-N -1 0 323.345 1.800 50 0 DDAARM CCN1C[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC1=O ZINC000068297157 406631007 /nfs/dbraw/zinc/63/10/07/406631007.db2.gz VIULRVVISBGWCX-SNVBAGLBSA-N -1 0 316.317 1.249 50 0 DDAARM O=C([O-])C[C@H]1SC(=NN=C2CCCc3ccccc32)NC1=O ZINC000004200099 406724296 /nfs/dbraw/zinc/72/42/96/406724296.db2.gz TZKUZSJGLPOSLB-GFCCVEGCSA-N -1 0 317.370 1.789 50 0 DDAARM CSC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000004685371 406727109 /nfs/dbraw/zinc/72/71/09/406727109.db2.gz BKWKLRSAKRITBE-SECBINFHSA-N -1 0 309.796 1.435 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012649744 406849672 /nfs/dbraw/zinc/84/96/72/406849672.db2.gz CRHBLLDNNBKIOW-CHWSQXEVSA-N -1 0 305.378 1.662 50 0 DDAARM COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000034776334 406965381 /nfs/dbraw/zinc/96/53/81/406965381.db2.gz PCAOCANCVQEDSG-VIFPVBQESA-N -1 0 317.338 1.320 50 0 DDAARM O=C([O-])CCN1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000035686980 406974708 /nfs/dbraw/zinc/97/47/08/406974708.db2.gz VHWYFKQWLLGWNF-UHFFFAOYSA-N -1 0 314.744 1.712 50 0 DDAARM Cn1nc2c(cc1=O)CN(C(=O)c1ccc([O-])c(Cl)c1)CC2 ZINC000079015909 407048789 /nfs/dbraw/zinc/04/87/89/407048789.db2.gz WSTMRCNEZJMHFZ-UHFFFAOYSA-N -1 0 319.748 1.338 50 0 DDAARM Cc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037376993 406988476 /nfs/dbraw/zinc/98/84/76/406988476.db2.gz PTCICRHGHSRZJN-UHFFFAOYSA-N -1 0 301.339 1.619 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000037436295 406989998 /nfs/dbraw/zinc/98/99/98/406989998.db2.gz SMCHLATVDOUCBF-NOZJJQNGSA-N -1 0 309.749 1.967 50 0 DDAARM CN(CCC(=O)[O-])C(=O)Cc1ccc(Br)cc1 ZINC000037931209 406994936 /nfs/dbraw/zinc/99/49/36/406994936.db2.gz AGVZMGICULYGLT-UHFFFAOYSA-N -1 0 300.152 1.925 50 0 DDAARM CCS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)OC)c1C ZINC000049003202 407113119 /nfs/dbraw/zinc/11/31/19/407113119.db2.gz BOQBZJKXICATBE-VIFPVBQESA-N -1 0 301.364 1.424 50 0 DDAARM CNc1cc(C(=O)N2CCC[C@@](CCOC)(C(=O)[O-])C2)ccn1 ZINC000091270361 407181433 /nfs/dbraw/zinc/18/14/33/407181433.db2.gz WSCVVXMOCOTSIW-INIZCTEOSA-N -1 0 321.377 1.467 50 0 DDAARM CCC(CC)n1c2ncc(C(=O)[O-])cc2n(CCC(N)=O)c1=O ZINC000055413423 407203373 /nfs/dbraw/zinc/20/33/73/407203373.db2.gz MFGSAPVVFIGDNX-UHFFFAOYSA-N -1 0 320.349 1.133 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2nnc(C)o2)cc1F ZINC000095354091 407208337 /nfs/dbraw/zinc/20/83/37/407208337.db2.gz BOOWQBBJVNWFCY-CYBMUJFWSA-N -1 0 309.297 1.783 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N(C)C[C@H](C)C(=O)[O-])C2 ZINC000095970479 407218853 /nfs/dbraw/zinc/21/88/53/407218853.db2.gz URGQRUQGXJMFJA-CMPLNLGQSA-N -1 0 307.346 1.425 50 0 DDAARM CC(C)c1nc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cs1 ZINC000096485682 407271553 /nfs/dbraw/zinc/27/15/53/407271553.db2.gz HTMSSGRXZGTJKK-VIFPVBQESA-N -1 0 306.395 1.799 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000067675061 407279867 /nfs/dbraw/zinc/27/98/67/407279867.db2.gz QPBSTTFATJIRTF-CYBMUJFWSA-N -1 0 315.329 1.517 50 0 DDAARM C[C@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)n[nH]1 ZINC000097162486 407283674 /nfs/dbraw/zinc/28/36/74/407283674.db2.gz QWELWJSYCPFDEA-YUMQZZPRSA-N -1 0 312.333 1.360 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000225466987 407586410 /nfs/dbraw/zinc/58/64/10/407586410.db2.gz HFSHTWIIIRFCRO-OAHLLOKOSA-N -1 0 315.373 1.392 50 0 DDAARM CC(C)COCCC[N-]S(=O)(=O)c1ncc(Cl)cn1 ZINC000225454797 407587826 /nfs/dbraw/zinc/58/78/26/407587826.db2.gz BJKWTFIDMOKRPK-UHFFFAOYSA-N -1 0 307.803 1.471 50 0 DDAARM O=C([O-])[C@@H]1CCCN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000262173204 407757281 /nfs/dbraw/zinc/75/72/81/407757281.db2.gz VNPNORICNMYWIE-LBPRGKRZSA-N -1 0 321.308 1.837 50 0 DDAARM CC(=O)N[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000236735924 407765732 /nfs/dbraw/zinc/76/57/32/407765732.db2.gz PVFLLJADQSRMHE-HNNXBMFYSA-N -1 0 318.373 1.445 50 0 DDAARM NC(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000237728845 407838524 /nfs/dbraw/zinc/83/85/24/407838524.db2.gz CEXISZMFNWZGON-AWEZNQCLSA-N -1 0 312.325 1.211 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000237948498 407854547 /nfs/dbraw/zinc/85/45/47/407854547.db2.gz XYEULDAEIXJZTC-QMMMGPOBSA-N -1 0 324.283 1.051 50 0 DDAARM COc1ccc(C2(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)CC2)cc1 ZINC000244899953 407945281 /nfs/dbraw/zinc/94/52/81/407945281.db2.gz ZTNKDEBRNURZIK-WDNDVIMCSA-N -1 0 301.342 1.516 50 0 DDAARM Cc1cccc([C@@H](C)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262814175 407944811 /nfs/dbraw/zinc/94/48/11/407944811.db2.gz GFBZKWOXSKWTLE-GDBMZVCRSA-N -1 0 306.406 1.773 50 0 DDAARM COc1ccc2[nH]cc(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)c2c1 ZINC000262980510 407990678 /nfs/dbraw/zinc/99/06/78/407990678.db2.gz MYMUTLJICGCATC-CQSZACIVSA-N -1 0 318.329 1.031 50 0 DDAARM COc1c(C)cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C ZINC000263244169 408073686 /nfs/dbraw/zinc/07/36/86/408073686.db2.gz CQIXRHKGHDTXIG-CYBMUJFWSA-N -1 0 307.346 1.628 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000136119013 408080204 /nfs/dbraw/zinc/08/02/04/408080204.db2.gz WQGQTHIVLGBAGI-NSHDSACASA-N -1 0 304.346 1.191 50 0 DDAARM Cc1cc(C)c(NC(=O)CNC(=O)C2(C(=O)[O-])CC2)c(C)c1 ZINC000154778570 408082423 /nfs/dbraw/zinc/08/24/23/408082423.db2.gz ZNSPOMAUCVTYBV-UHFFFAOYSA-N -1 0 304.346 1.531 50 0 DDAARM Cc1cc(C)cc(C(=O)NCC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000263465581 408145952 /nfs/dbraw/zinc/14/59/52/408145952.db2.gz WOMANFUZLIFOOK-AWEZNQCLSA-N -1 0 318.373 1.499 50 0 DDAARM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2c([O-])cccc2F)C1 ZINC000122201691 408265108 /nfs/dbraw/zinc/26/51/08/408265108.db2.gz OLFWWJWVOSBZMF-LLVKDONJSA-N -1 0 308.353 1.908 50 0 DDAARM C[C@@H](CN(C)C(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-] ZINC000268922739 408220095 /nfs/dbraw/zinc/22/00/95/408220095.db2.gz CNFNTZQSIFHTTP-VIFPVBQESA-N -1 0 323.324 1.148 50 0 DDAARM Cc1cc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])oc2cc1C ZINC000268980769 408223425 /nfs/dbraw/zinc/22/34/25/408223425.db2.gz MWGOZUDSTQUJEX-GFCCVEGCSA-N -1 0 303.314 1.975 50 0 DDAARM CC[C@@H](C(=O)[O-])N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000191421234 408422671 /nfs/dbraw/zinc/42/26/71/408422671.db2.gz SANDXEDMBGTFCI-ZDUSSCGKSA-N -1 0 310.781 1.847 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccnc2N2CCCCC2)C1 ZINC000178260852 408794757 /nfs/dbraw/zinc/79/47/57/408794757.db2.gz VDNSXPPTPNAYDD-LBPRGKRZSA-N -1 0 303.362 1.619 50 0 DDAARM CC[C@@H](C)[C@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O ZINC000252523226 408803982 /nfs/dbraw/zinc/80/39/82/408803982.db2.gz CCCFZDZVGIJSFH-MFKMUULPSA-N -1 0 320.393 1.199 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1SCCc2ccccc21 ZINC000299751505 410605292 /nfs/dbraw/zinc/60/52/92/410605292.db2.gz QTGRHFLEVIGVSD-CQSZACIVSA-N -1 0 309.387 1.577 50 0 DDAARM COCc1c(C(=O)[O-])cnn1-c1nccc(-c2ccco2)n1 ZINC000299793450 410635174 /nfs/dbraw/zinc/63/51/74/410635174.db2.gz HSQUHQYOAJQRNV-UHFFFAOYSA-N -1 0 300.274 1.767 50 0 DDAARM C[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1nc(-c2ccncc2)no1 ZINC000426633776 419520820 /nfs/dbraw/zinc/52/08/20/419520820.db2.gz DUCVTJCAPJIJJC-VIFPVBQESA-N -1 0 319.321 1.136 50 0 DDAARM CC(C)[C@H](Oc1ccccc1)C(=O)NCCCc1nnn[n-]1 ZINC000426689330 419532337 /nfs/dbraw/zinc/53/23/37/419532337.db2.gz WAGZARADBQCUMR-AWEZNQCLSA-N -1 0 303.366 1.352 50 0 DDAARM Cn1ccnc1CN1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426690513 419532738 /nfs/dbraw/zinc/53/27/38/419532738.db2.gz DFARLIPPOKQYCJ-LBPRGKRZSA-N -1 0 303.366 1.081 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2nc3ccccc3s2)CCO1 ZINC000492178707 421210145 /nfs/dbraw/zinc/21/01/45/421210145.db2.gz FUQHJRXFFQFGSF-ISALQUGTSA-N -1 0 318.354 1.622 50 0 DDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccn(C2CCOCC2)n1 ZINC000630158616 421925556 /nfs/dbraw/zinc/92/55/56/421925556.db2.gz TYIMVJZDAPGDST-ZDUSSCGKSA-N -1 0 321.377 1.704 50 0 DDAARM O=C([O-])[C@@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1ccccc1 ZINC000630446713 422108765 /nfs/dbraw/zinc/10/87/65/422108765.db2.gz UVHJMQBOZGHSMA-QWRGUYRKSA-N -1 0 319.329 1.777 50 0 DDAARM O=C([O-])c1cccnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000647453582 424034289 /nfs/dbraw/zinc/03/42/89/424034289.db2.gz MDYFZUBJLYPESG-QMMMGPOBSA-N -1 0 317.267 1.285 50 0 DDAARM CC(=O)NCSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002517121 278118672 /nfs/dbraw/zinc/11/86/72/278118672.db2.gz SUSPMXBDNAADFK-VIFPVBQESA-N -1 0 320.411 1.570 50 0 DDAARM CC(=O)O[C@@H](C(=O)[O-])[C@H](OC(C)=O)c1nc2ccccc2s1 ZINC000002361817 278220213 /nfs/dbraw/zinc/22/02/13/278220213.db2.gz SDFBJNWQKYDBAL-NWDGAFQWSA-N -1 0 323.326 1.917 50 0 DDAARM CC(C)C[C@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-] ZINC000155958933 279190294 /nfs/dbraw/zinc/19/02/94/279190294.db2.gz KRAOCLKRRFKMLW-LBPRGKRZSA-N -1 0 306.366 1.306 50 0 DDAARM C[C@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)n1cccn1 ZINC000111240110 298086274 /nfs/dbraw/zinc/08/62/74/298086274.db2.gz VMBWJYDTQURSRV-KCJUWKMLSA-N -1 0 305.256 1.310 50 0 DDAARM Cc1cc(NC(=O)CN2CCC[C@@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000237703409 301348466 /nfs/dbraw/zinc/34/84/66/301348466.db2.gz NCXLIHOAIQFNAU-LLVKDONJSA-N -1 0 308.382 1.434 50 0 DDAARM CCOc1ccc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000531747772 303254555 /nfs/dbraw/zinc/25/45/55/303254555.db2.gz UCJOPUXMFSJZQN-UHFFFAOYSA-N -1 0 321.373 1.720 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C\c2ccc3c(c2)CCO3)CCO1 ZINC000390354841 307293687 /nfs/dbraw/zinc/29/36/87/307293687.db2.gz MSOFPLWCXXVPKY-XBPVQUQDSA-N -1 0 317.341 1.337 50 0 DDAARM CC(C)[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCC3)C[C@H]1C(=O)[O-] ZINC000091818051 484015423 /nfs/dbraw/zinc/01/54/23/484015423.db2.gz QMZZBBKUQJWCGA-QWHCGFSZSA-N -1 0 318.373 1.292 50 0 DDAARM COc1ccc(F)cc1CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263480161 484275827 /nfs/dbraw/zinc/27/58/27/484275827.db2.gz AKLLPQBJWNBRSK-GFCCVEGCSA-N -1 0 311.309 1.079 50 0 DDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cc1cscn1 ZINC000663149786 484705900 /nfs/dbraw/zinc/70/59/00/484705900.db2.gz ZFPHUJIHBCROSW-AWEZNQCLSA-N -1 0 302.355 1.896 50 0 DDAARM Cc1ccccc1OCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000299747717 534824890 /nfs/dbraw/zinc/82/48/90/534824890.db2.gz DUXSXQJEDAVZML-UHFFFAOYSA-N -1 0 321.373 1.856 50 0 DDAARM CC(C)(NC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000299382517 527285462 /nfs/dbraw/zinc/28/54/62/527285462.db2.gz WVWHDUSKIFSRMI-CYBMUJFWSA-N -1 0 307.346 1.837 50 0 DDAARM CCOc1cccc2c1OC[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])C2 ZINC000299740887 528697803 /nfs/dbraw/zinc/69/78/03/528697803.db2.gz BZHHUBJXQUJUSU-QWHCGFSZSA-N -1 0 319.357 1.712 50 0 DDAARM CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299752852 528790397 /nfs/dbraw/zinc/79/03/97/528790397.db2.gz VTDUHGFRLZWLQD-NWDGAFQWSA-N -1 0 307.346 1.773 50 0 DDAARM O=C([O-])c1cc2cc(NC(=O)CN3CCOCC3)ccc2s1 ZINC000059277881 696308837 /nfs/dbraw/zinc/30/88/37/696308837.db2.gz XZVUHOHCOLFMRN-UHFFFAOYSA-N -1 0 320.370 1.870 50 0 DDAARM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000111582763 696644611 /nfs/dbraw/zinc/64/46/11/696644611.db2.gz PVASCJHMAQVYRB-NSHDSACASA-N -1 0 323.356 1.666 50 0 DDAARM CCNC(=O)c1ccc(N2CCC[C@](CC)(C(=O)[O-])C2)nc1 ZINC000219610233 697754615 /nfs/dbraw/zinc/75/46/15/697754615.db2.gz OARPERSOUPJDHP-INIZCTEOSA-N -1 0 305.378 1.913 50 0 DDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000263528304 698511533 /nfs/dbraw/zinc/51/15/33/698511533.db2.gz VDWNHWFGYVXCLX-ZYHUDNBSSA-N -1 0 305.330 1.783 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000263531395 698511988 /nfs/dbraw/zinc/51/19/88/698511988.db2.gz WRQCMIYLWXDRMH-BDAKNGLRSA-N -1 0 319.329 1.839 50 0 DDAARM CNC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000606441269 699217552 /nfs/dbraw/zinc/21/75/52/699217552.db2.gz MALXMPWCRLBPKH-PIZKADEWSA-N -1 0 316.357 1.383 50 0 DDAARM Cc1cc2ncc(C(=O)N[C@H](C)C3=CCCCC3)c(=O)n2[n-]1 ZINC000825292193 759238007 /nfs/dbraw/zinc/23/80/07/759238007.db2.gz XNSRZEWMGGCEIA-LLVKDONJSA-N -1 0 300.362 1.950 50 0 DDAARM CSCC[C@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095480934 185373734 /nfs/dbraw/zinc/37/37/34/185373734.db2.gz RTZUYATYVQVRPC-YFKPBYRVSA-N -1 0 301.759 1.625 50 0 DDAARM CNC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cn1 ZINC000262968444 290625637 /nfs/dbraw/zinc/62/56/37/290625637.db2.gz PGEDMKDXEHQADT-GFCCVEGCSA-N -1 0 319.361 1.301 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000088373396 185247250 /nfs/dbraw/zinc/24/72/50/185247250.db2.gz ZHVXACQSLYWJKF-SNVBAGLBSA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(-c2ccco2)n1 ZINC000088375905 185247605 /nfs/dbraw/zinc/24/76/05/185247605.db2.gz QGFMJIXEZQOXBH-SECBINFHSA-N -1 0 308.315 1.329 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)CCO3)C1 ZINC000096936569 185392972 /nfs/dbraw/zinc/39/29/72/185392972.db2.gz BFLLXCFAVVSCNQ-KXQLTZBTSA-N -1 0 301.342 1.958 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000095435637 185364735 /nfs/dbraw/zinc/36/47/35/185364735.db2.gz OVKONQFRKUSMKB-NEPJUHHUSA-N -1 0 302.334 1.239 50 0 DDAARM O=C([O-])c1cc(-c2cccnc2)cc(S(=O)(=O)NC2CC2)c1 ZINC000072150881 191055812 /nfs/dbraw/zinc/05/58/12/191055812.db2.gz UBYQYMTZEVSVRK-UHFFFAOYSA-N -1 0 318.354 1.888 50 0 DDAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H]1CCCO1 ZINC000000425345 352108839 /nfs/dbraw/zinc/10/88/39/352108839.db2.gz LINMRCJYUMUGQW-JTQLQIEISA-N -1 0 319.386 1.354 50 0 DDAARM N=c1c(C(N)=O)cc(Cl)c(C(=O)[O-])n1Cc1ccccc1 ZINC000000058604 352109125 /nfs/dbraw/zinc/10/91/25/352109125.db2.gz RFGQRUGAUVVGDW-UHFFFAOYSA-N -1 0 305.721 1.466 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)CCCC(=O)c1ccccc1 ZINC000072420529 191156914 /nfs/dbraw/zinc/15/69/14/191156914.db2.gz GQEOKIUHYCOFMU-CQSZACIVSA-N -1 0 319.357 1.742 50 0 DDAARM CCOc1ccc(-c2ccnc(N(C)CCO)n2)cc1C(=O)[O-] ZINC000072424294 191159564 /nfs/dbraw/zinc/15/95/64/191159564.db2.gz XBEVIRRBWYPRQC-UHFFFAOYSA-N -1 0 317.345 1.669 50 0 DDAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)COCc1ccccc1 ZINC000072430869 191162571 /nfs/dbraw/zinc/16/25/71/191162571.db2.gz PPFDQLOLCVGVLH-HNNXBMFYSA-N -1 0 315.329 1.137 50 0 DDAARM COc1cccc(-c2cc(=O)n([C@H]3CCS(=O)(=O)C3)[n-]2)c1 ZINC000049551412 352555555 /nfs/dbraw/zinc/55/55/55/352555555.db2.gz XWPREFFGIIZEPT-NSHDSACASA-N -1 0 308.359 1.212 50 0 DDAARM CCCC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000001902845 180901279 /nfs/dbraw/zinc/90/12/79/180901279.db2.gz UWWDQNXVCUNXSL-LBPRGKRZSA-N -1 0 301.364 1.617 50 0 DDAARM O=C(NCCc1nc(C2CCCCC2)cs1)c1n[nH]c(=O)[n-]1 ZINC000075093089 353346423 /nfs/dbraw/zinc/34/64/23/353346423.db2.gz PGJHBAJEKOPNAS-UHFFFAOYSA-N -1 0 321.406 1.575 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000003236272 180994675 /nfs/dbraw/zinc/99/46/75/180994675.db2.gz AKDROAINEFIMNS-UHFFFAOYSA-N -1 0 310.375 1.640 50 0 DDAARM C[C@H](CN(C)C(=O)C(C)(C)c1cccc(C#N)c1)c1nnn[n-]1 ZINC000124578231 354039953 /nfs/dbraw/zinc/03/99/53/354039953.db2.gz YZCYJSIRSWVFTA-LLVKDONJSA-N -1 0 312.377 1.611 50 0 DDAARM COc1ccc2c(C)c(CC(=O)N(C)CC(=O)[O-])c(=O)oc2c1 ZINC000003863640 181050133 /nfs/dbraw/zinc/05/01/33/181050133.db2.gz UDSYKAPNNUJZLF-UHFFFAOYSA-N -1 0 319.313 1.196 50 0 biogenic DDAARM CC(C)Cn1ccnc1NC(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000119204062 354002932 /nfs/dbraw/zinc/00/29/32/354002932.db2.gz JDSOTAFKMCKSEY-UHFFFAOYSA-N -1 0 314.349 1.779 50 0 DDAARM Cc1cc(=O)oc(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004044152 181066622 /nfs/dbraw/zinc/06/66/22/181066622.db2.gz BZFGXOPHQDZQOB-ZDUSSCGKSA-N -1 0 315.325 1.682 50 0 biogenic DDAARM CCOC(=O)[C@@H](CSCC(=O)[O-])NC(=O)OC(C)(C)C ZINC000004013967 181062376 /nfs/dbraw/zinc/06/23/76/181062376.db2.gz BGTFXDMIBSMDEY-MRVPVSSYSA-N -1 0 307.368 1.261 50 0 DDAARM CC(=O)c1cccc(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000004386702 181105772 /nfs/dbraw/zinc/10/57/72/181105772.db2.gz HDCCYNLPRMRWFT-UHFFFAOYSA-N -1 0 304.331 1.098 50 0 DDAARM O=C([O-])COCC(=O)NCc1cccc(Br)c1 ZINC000004784752 181151819 /nfs/dbraw/zinc/15/18/19/181151819.db2.gz MCYDPSCGVVFYKM-UHFFFAOYSA-N -1 0 302.124 1.167 50 0 DDAARM CC(C)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)n(C)n1 ZINC000236880625 202049687 /nfs/dbraw/zinc/04/96/87/202049687.db2.gz KQNIKKRESPIZEQ-UHFFFAOYSA-N -1 0 309.366 1.249 50 0 DDAARM COCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000237148505 202166797 /nfs/dbraw/zinc/16/67/97/202166797.db2.gz WFEFYZWESFYOEB-JTQLQIEISA-N -1 0 316.151 1.728 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)o1 ZINC000180126865 199120158 /nfs/dbraw/zinc/12/01/58/199120158.db2.gz MFMMMQZTIAQXAV-SNVBAGLBSA-N -1 0 316.317 1.167 50 0 DDAARM Cc1nn2cccnc2c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237626214 202309482 /nfs/dbraw/zinc/30/94/82/202309482.db2.gz RWTZIGYYQHUEKR-GFCCVEGCSA-N -1 0 316.361 1.755 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000237661414 202322215 /nfs/dbraw/zinc/32/22/15/202322215.db2.gz PRPWYXGDHIEILG-OAHLLOKOSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1c(C(=O)NC2(C(=O)[O-])CC2)nnn1-c1ccccc1Cl ZINC000237768397 202350894 /nfs/dbraw/zinc/35/08/94/202350894.db2.gz HHQDBKOYAJGXQS-UHFFFAOYSA-N -1 0 320.736 1.576 50 0 DDAARM O=C([O-])[C@H]1COCCN1Cc1cnn(-c2cccc(F)c2)c1 ZINC000244796119 202500851 /nfs/dbraw/zinc/50/08/51/202500851.db2.gz RTGVITGQELRKDK-CQSZACIVSA-N -1 0 305.309 1.297 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000299743116 304113141 /nfs/dbraw/zinc/11/31/41/304113141.db2.gz JXJBGWDVYQULGE-ZDUSSCGKSA-N -1 0 313.313 1.538 50 0 DDAARM CCn1ncc(Cl)c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000621539406 364904987 /nfs/dbraw/zinc/90/49/87/364904987.db2.gz MWCIHZFGGQQVDY-VHSXEESVSA-N -1 0 311.769 1.739 50 0 DDAARM CO[C@@]1(C)CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000621540155 364905686 /nfs/dbraw/zinc/90/56/86/364905686.db2.gz MIHSJLWNAZFRSN-INIZCTEOSA-N -1 0 307.346 1.791 50 0 DDAARM O=C([O-])[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@H]1c1ccncc1 ZINC000091713034 193096278 /nfs/dbraw/zinc/09/62/78/193096278.db2.gz FTDBLTGNZDVADO-QWHCGFSZSA-N -1 0 309.329 1.658 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000092020126 193143350 /nfs/dbraw/zinc/14/33/50/193143350.db2.gz RIVSLWVNTWIOPW-KRWDZBQOSA-N -1 0 321.373 1.522 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000227957590 304135037 /nfs/dbraw/zinc/13/50/37/304135037.db2.gz XOTCRUZEDJIZKL-UTLUCORTSA-N -1 0 309.284 1.667 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000299747477 304134653 /nfs/dbraw/zinc/13/46/53/304134653.db2.gz DDFGAVXSLQYYQM-AAEUAGOBSA-N -1 0 305.330 1.255 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CSc3ccccc32)CCO1 ZINC000092238027 193178298 /nfs/dbraw/zinc/17/82/98/193178298.db2.gz YEJWEUMPRNWQRT-PWSUYJOCSA-N -1 0 307.371 1.578 50 0 DDAARM CCc1cc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)n[nH]1 ZINC000262487757 203307183 /nfs/dbraw/zinc/30/71/83/203307183.db2.gz LKJBZTQBOGPBMO-UHFFFAOYSA-N -1 0 319.317 1.940 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000262688143 203382130 /nfs/dbraw/zinc/38/21/30/203382130.db2.gz FEITXMFYJMWRDY-AVGNSLFASA-N -1 0 317.341 1.637 50 0 DDAARM CCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cn1 ZINC000263009026 203427478 /nfs/dbraw/zinc/42/74/78/203427478.db2.gz LIJLSWWGZBAKQR-ZDUSSCGKSA-N -1 0 321.308 1.606 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1 ZINC000013536119 181859371 /nfs/dbraw/zinc/85/93/71/181859371.db2.gz PZYQDWWXWZIUSI-ZFWWWQNUSA-N -1 0 307.346 1.706 50 0 DDAARM C[C@H](CC(=O)[O-])CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000017031707 182069846 /nfs/dbraw/zinc/06/98/46/182069846.db2.gz RCLOHJMARLODMD-LBPRGKRZSA-N -1 0 308.353 1.975 50 0 DDAARM CC(=O)Nc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020616523 182239556 /nfs/dbraw/zinc/23/95/56/182239556.db2.gz OZLAXUQEIUWECP-UHFFFAOYSA-N -1 0 302.290 1.329 50 0 DDAARM COc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)cc(OC)c1 ZINC000020614732 182239662 /nfs/dbraw/zinc/23/96/62/182239662.db2.gz QSUIRHPYUAWWCZ-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM CC1=C(C)C[C@H](C(=O)NCCCn2ccnc2)[C@H](C(=O)[O-])C1 ZINC000039349670 183016903 /nfs/dbraw/zinc/01/69/03/183016903.db2.gz WCWGDJNDACBHMG-UONOGXRCSA-N -1 0 305.378 1.837 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000268928558 207095572 /nfs/dbraw/zinc/09/55/72/207095572.db2.gz XKHRKWGXEKMIHW-JMSVASOKSA-N -1 0 317.341 1.746 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(Br)c(F)c1 ZINC000268933924 207099577 /nfs/dbraw/zinc/09/95/77/207099577.db2.gz ZPGANOZWYWYSGQ-SFYZADRCSA-N -1 0 316.126 1.925 50 0 DDAARM COc1ccc([C@@H](C)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000269023304 207173325 /nfs/dbraw/zinc/17/33/25/207173325.db2.gz JHPXIBGQEGNDBD-RISCZKNCSA-N -1 0 307.346 1.501 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)CCO1 ZINC000269031622 207182641 /nfs/dbraw/zinc/18/26/41/207182641.db2.gz MSOFPLWCXXVPKY-PMUGQKEBSA-N -1 0 317.341 1.337 50 0 DDAARM CC(C)C(=O)Nc1cc(N2C[C@@H](C(=O)[O-])CC2=O)ccc1F ZINC000065373693 184330795 /nfs/dbraw/zinc/33/07/95/184330795.db2.gz XTJSHZFVBGAXLO-VIFPVBQESA-N -1 0 308.309 1.858 50 0 DDAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000154862461 196999288 /nfs/dbraw/zinc/99/92/88/196999288.db2.gz FJKNCWHWEQOTII-SECBINFHSA-N -1 0 302.330 1.613 50 0 DDAARM O=C([O-])CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000216626695 257273210 /nfs/dbraw/zinc/27/32/10/257273210.db2.gz HNTOTWWKNIDZSN-OAHLLOKOSA-N -1 0 308.293 1.886 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@H](C(=O)[O-])C3)coc2c1 ZINC000237871450 257237872 /nfs/dbraw/zinc/23/78/72/257237872.db2.gz WNACKVSPGHEVJV-AWEZNQCLSA-N -1 0 303.314 1.596 50 0 DDAARM COc1cccc(Cl)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299749678 533553045 /nfs/dbraw/zinc/55/30/45/533553045.db2.gz LHKWQAFMMHWNCZ-VIFPVBQESA-N -1 0 313.737 1.664 50 0 DDAARM CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000000034476 406615161 /nfs/dbraw/zinc/61/51/61/406615161.db2.gz GGXQUHCKQXDDGR-SECBINFHSA-N -1 0 315.376 1.079 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2cc(F)cc3c2OCOC3)CC1 ZINC000000154035 406627308 /nfs/dbraw/zinc/62/73/08/406627308.db2.gz YCPJRYIBIHQGOG-UHFFFAOYSA-N -1 0 309.293 1.629 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000000182275 406629942 /nfs/dbraw/zinc/62/99/42/406629942.db2.gz OGPPQGSYRGOKPU-UHFFFAOYSA-N -1 0 312.391 1.886 50 0 DDAARM CCOC(=O)c1sc(NC(=O)CCCC(=O)[O-])nc1C ZINC000000204895 406630557 /nfs/dbraw/zinc/63/05/57/406630557.db2.gz GYAZHOVUSNKFEW-UHFFFAOYSA-N -1 0 300.336 1.822 50 0 DDAARM CCc1c([O-])nc(SCC(N)=O)n(-c2ccccc2)c1=O ZINC000000253229 406634382 /nfs/dbraw/zinc/63/43/82/406634382.db2.gz XVXNCWHRNNQBCN-UHFFFAOYSA-N -1 0 305.359 1.078 50 0 DDAARM CC(C)NC(=O)C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000000424889 406648798 /nfs/dbraw/zinc/64/87/98/406648798.db2.gz RRUUHFFBGKDKHZ-NSHDSACASA-N -1 0 316.386 1.269 50 0 DDAARM CCCC(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O ZINC000001010682 406661554 /nfs/dbraw/zinc/66/15/54/406661554.db2.gz DTDQDPNRINITKL-UHFFFAOYSA-N -1 0 304.302 1.496 50 0 DDAARM CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000001576007 406671127 /nfs/dbraw/zinc/67/11/27/406671127.db2.gz XCHVIDSCZYPFTR-WCQYABFASA-N -1 0 322.361 1.671 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCCOC(C)C)cc1 ZINC000001727003 406677971 /nfs/dbraw/zinc/67/79/71/406677971.db2.gz HNLULLUSIBLBEE-UHFFFAOYSA-N -1 0 314.407 1.798 50 0 DDAARM CCOC(=O)C(C=Nc1cccc(C(=O)[O-])c1)C(=O)OCC ZINC000001780078 406678001 /nfs/dbraw/zinc/67/80/01/406678001.db2.gz KCQSREWIHRNYIM-UHFFFAOYSA-N -1 0 307.302 1.807 50 0 DDAARM C[C@@H](Oc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1)C(=O)[O-] ZINC000001865786 406678240 /nfs/dbraw/zinc/67/82/40/406678240.db2.gz ZHMSCNOLSRNRDR-SSDOTTSWSA-N -1 0 320.326 1.704 50 0 DDAARM O=C([O-])CCN1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000069348226 406697645 /nfs/dbraw/zinc/69/76/45/406697645.db2.gz KENUGHNZAHKYDK-UHFFFAOYSA-N -1 0 304.177 1.985 50 0 DDAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C)N1Cc1ccccc1 ZINC000003243389 406715735 /nfs/dbraw/zinc/71/57/35/406715735.db2.gz IVPRURWVJIBUIQ-UHFFFAOYSA-N -1 0 323.352 1.972 50 0 DDAARM CSC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000004685370 406725268 /nfs/dbraw/zinc/72/52/68/406725268.db2.gz BKWKLRSAKRITBE-VIFPVBQESA-N -1 0 309.796 1.435 50 0 DDAARM CCOc1ccccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000008026910 406775211 /nfs/dbraw/zinc/77/52/11/406775211.db2.gz CPTLONFKJJAFIJ-UHFFFAOYSA-N -1 0 307.346 1.787 50 0 DDAARM Cc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)[n-]c1=O ZINC000008612178 406790929 /nfs/dbraw/zinc/79/09/29/406790929.db2.gz YJUPSMFXTUSEKP-UHFFFAOYSA-N -1 0 319.390 1.682 50 0 DDAARM CC1(C)[C@H](C(=O)NCc2nc(-c3ccccc3)no2)[C@@H]1C(=O)[O-] ZINC000071283548 406836522 /nfs/dbraw/zinc/83/65/22/406836522.db2.gz VIHIPJVDHQSAHX-NWDGAFQWSA-N -1 0 315.329 1.710 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1 ZINC000013072636 406857851 /nfs/dbraw/zinc/85/78/51/406857851.db2.gz SWFUXJHXYDZDJU-UHFFFAOYSA-N -1 0 311.315 1.465 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2COc3ccccc3O2)CCCCC1 ZINC000014247092 406874099 /nfs/dbraw/zinc/87/40/99/406874099.db2.gz ZIOINCMDSNONLE-ZDUSSCGKSA-N -1 0 305.330 1.730 50 0 DDAARM CN(Cc1nnn[n-]1)C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000072275308 406877700 /nfs/dbraw/zinc/87/77/00/406877700.db2.gz IQFDKDIMOAIVLC-UHFFFAOYSA-N -1 0 301.281 1.871 50 0 DDAARM CCCCN(C)c1ncc(NS(=O)(=O)CC)cc1C(=O)[O-] ZINC000035397250 406972477 /nfs/dbraw/zinc/97/24/77/406972477.db2.gz MXKUXOUGYUZBGU-UHFFFAOYSA-N -1 0 315.395 1.778 50 0 DDAARM CCc1nonc1[N-]S(=O)(=O)c1ccc(CNC(C)=O)cc1 ZINC000028249165 406917612 /nfs/dbraw/zinc/91/76/12/406917612.db2.gz NGEQJMLPBUKKME-UHFFFAOYSA-N -1 0 324.362 1.069 50 0 DDAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(C)(=O)=O ZINC000033253844 406960917 /nfs/dbraw/zinc/96/09/17/406960917.db2.gz NCYFMWQRQPBCQZ-UHFFFAOYSA-N -1 0 300.380 1.993 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cnc(OC)nc1 ZINC000085557358 407103577 /nfs/dbraw/zinc/10/35/77/407103577.db2.gz HEZCUNAIHYTGDD-UHFFFAOYSA-N -1 0 309.347 1.603 50 0 DDAARM O=C(NCC(F)(F)F)c1csc([N-]c2ncccn2)n1 ZINC000049032251 407112447 /nfs/dbraw/zinc/11/24/47/407112447.db2.gz YAQVQFDUEARRRI-UHFFFAOYSA-N -1 0 303.269 1.969 50 0 DDAARM CN(CCOc1ccccc1)[C@H](C(=O)[O-])c1ccc(N)nc1 ZINC000095358805 407209167 /nfs/dbraw/zinc/20/91/67/407209167.db2.gz LHLYWGNTQRVDEZ-HNNXBMFYSA-N -1 0 301.346 1.800 50 0 DDAARM Cc1nc2c(c(N[C@@H](C)c3nnn[n-]3)n1)Cc1ccccc1OC2 ZINC000095516956 407214001 /nfs/dbraw/zinc/21/40/01/407214001.db2.gz VGSDFACXOLOUNH-VIFPVBQESA-N -1 0 323.360 1.954 50 0 DDAARM O=C1NCCCn2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc21 ZINC000065258660 407241363 /nfs/dbraw/zinc/24/13/63/407241363.db2.gz CPUZRAUKIQTFAX-UHFFFAOYSA-N -1 0 323.349 1.562 50 0 DDAARM Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(F)c2)n(C)n1 ZINC000097036638 407276457 /nfs/dbraw/zinc/27/64/57/407276457.db2.gz YCWZXUSCXBTIDP-GFCCVEGCSA-N -1 0 309.272 1.562 50 0 DDAARM O=c1c2sccc2[n-]c(=S)n1CCCN1CCOCC1 ZINC000100090867 407306996 /nfs/dbraw/zinc/30/69/96/407306996.db2.gz WIFLVBUFMMNKDF-UHFFFAOYSA-N -1 0 311.432 1.469 50 0 DDAARM CCc1nc(CC(=O)NCc2nc(C(=O)[O-])cs2)cs1 ZINC000124327738 407354402 /nfs/dbraw/zinc/35/44/02/407354402.db2.gz HSECWQDHFXEPAW-UHFFFAOYSA-N -1 0 311.388 1.719 50 0 DDAARM O=C([O-])CCNC(=O)CCc1ccc(Br)cc1 ZINC000170675894 407472343 /nfs/dbraw/zinc/47/23/43/407472343.db2.gz LMFATXTVNXUIPK-UHFFFAOYSA-N -1 0 300.152 1.973 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]c2ncn(CC(F)(F)F)n2)c(C)o1 ZINC000170615586 407454110 /nfs/dbraw/zinc/45/41/10/407454110.db2.gz FZZKVUVFIWKDNI-UHFFFAOYSA-N -1 0 324.284 1.851 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCCc2ccc(Cl)cc2)CCO1 ZINC000237965315 407858463 /nfs/dbraw/zinc/85/84/63/407858463.db2.gz OCOWVSOKSJXMRC-CYBMUJFWSA-N -1 0 311.765 1.975 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)CCO1 ZINC000238124450 407892528 /nfs/dbraw/zinc/89/25/28/407892528.db2.gz JBUCLWCJSORMPG-SNVBAGLBSA-N -1 0 322.342 1.258 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000238159702 407896885 /nfs/dbraw/zinc/89/68/85/407896885.db2.gz PNIXHHIXUVSQHC-UHFFFAOYSA-N -1 0 316.279 1.548 50 0 DDAARM CC(C)Cc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc(=O)[nH]1 ZINC000262817030 407945515 /nfs/dbraw/zinc/94/55/15/407945515.db2.gz VGQQZSCPPMQCFN-OAHLLOKOSA-N -1 0 310.325 1.625 50 0 DDAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1-n1cccn1 ZINC000263244235 408072778 /nfs/dbraw/zinc/07/27/78/408072778.db2.gz RZUGNXZEIINYNN-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM Cn1nccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263249906 408075710 /nfs/dbraw/zinc/07/57/10/408075710.db2.gz IYPLZRAITWVMKA-AWEZNQCLSA-N -1 0 301.346 1.165 50 0 DDAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136475786 408105692 /nfs/dbraw/zinc/10/56/92/408105692.db2.gz YQXLSMUSTAGJEH-QMMMGPOBSA-N -1 0 321.362 1.316 50 0 DDAARM CCCN1CCN(C(=O)c2cccc(C(=O)[O-])c2)C(C)(C)C1=O ZINC000263445800 408141497 /nfs/dbraw/zinc/14/14/97/408141497.db2.gz QVVVUYBRIUFIFF-UHFFFAOYSA-N -1 0 318.373 1.858 50 0 DDAARM C[C@H](Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1)C(=O)[O-] ZINC000191405758 408420133 /nfs/dbraw/zinc/42/01/33/408420133.db2.gz GTAGXJHVGNBXCY-SNVBAGLBSA-N -1 0 315.329 1.296 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cnn(CC)c2)(C(=O)[O-])C1(C)C ZINC000193036153 408685179 /nfs/dbraw/zinc/68/51/79/408685179.db2.gz QUZRRABKQMEANI-XHDPSFHLSA-N -1 0 309.366 1.291 50 0 DDAARM O=C([O-])c1ccc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000252452277 408793246 /nfs/dbraw/zinc/79/32/46/408793246.db2.gz AAYGZWAPGSZKLR-UHFFFAOYSA-N -1 0 315.329 1.973 50 0 DDAARM COCCn1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000170091823 408820256 /nfs/dbraw/zinc/82/02/56/408820256.db2.gz WYRPTKSMMPXKRW-WCQYABFASA-N -1 0 309.366 1.302 50 0 DDAARM O=C([O-])C1(CNC(=O)[C@H]2COc3ccccc32)CCOCC1 ZINC000278083677 409063017 /nfs/dbraw/zinc/06/30/17/409063017.db2.gz JSAIIOQBEOMTLB-LBPRGKRZSA-N -1 0 305.330 1.160 50 0 DDAARM Cn1cnnc1C1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000262518895 163842398 /nfs/dbraw/zinc/84/23/98/163842398.db2.gz DGCJKHLBGZEVHJ-CHWSQXEVSA-N -1 0 320.393 1.412 50 0 DDAARM C[C@H](NS(C)(=O)=O)c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC000329727875 410425700 /nfs/dbraw/zinc/42/57/00/410425700.db2.gz OXWNYDGITAFBPI-VIFPVBQESA-N -1 0 322.390 1.621 50 0 DDAARM CC(=O)[N-]S(=O)(=O)Nc1c(C)cc(Br)cc1C ZINC000132653324 196273573 /nfs/dbraw/zinc/27/35/73/196273573.db2.gz ZJAAZUIOIDBXBW-UHFFFAOYSA-N -1 0 321.196 1.859 50 0 DDAARM Cc1cccc(C2(C(=O)Nc3ncn(CC(=O)[O-])n3)CC2)c1 ZINC000647784540 423047081 /nfs/dbraw/zinc/04/70/81/423047081.db2.gz XUUWYBRSVVYBQR-UHFFFAOYSA-N -1 0 300.318 1.341 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2sccc2Br)CCO1 ZINC000111527950 418500606 /nfs/dbraw/zinc/50/06/06/418500606.db2.gz BAIUDTRTDMUQED-SSDOTTSWSA-N -1 0 320.164 1.436 50 0 DDAARM O=C([O-])c1cccc(OCCNC(=O)[C@H](O)C2CCCCC2)c1 ZINC000220190053 418561416 /nfs/dbraw/zinc/56/14/16/418561416.db2.gz SALCWIOXXPNYMF-OAHLLOKOSA-N -1 0 321.373 1.821 50 0 DDAARM CCCC1(C(=O)[O-])CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000426530753 419499690 /nfs/dbraw/zinc/49/96/90/419499690.db2.gz GIGRQMMGOMVSJU-UHFFFAOYSA-N -1 0 320.389 1.801 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000299741853 229376842 /nfs/dbraw/zinc/37/68/42/229376842.db2.gz HHOFMLXBHZFOHM-SNVBAGLBSA-N -1 0 303.293 1.558 50 0 DDAARM COc1cccc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)oc21 ZINC000583650544 422209745 /nfs/dbraw/zinc/20/97/45/422209745.db2.gz GXMXTEDFWZYFIP-LBPRGKRZSA-N -1 0 305.286 1.367 50 0 DDAARM COc1ccc(CC(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)cc1 ZINC000639430517 423497139 /nfs/dbraw/zinc/49/71/39/423497139.db2.gz WIJYRJRDSAFWGG-CYBMUJFWSA-N -1 0 319.361 1.818 50 0 DDAARM CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(=O)n1C ZINC000299795163 280592161 /nfs/dbraw/zinc/59/21/61/280592161.db2.gz JWFRFSLJPZXABV-CYBMUJFWSA-N -1 0 306.362 1.588 50 0 DDAARM Cc1ccc(C)c(CC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000237643266 281883526 /nfs/dbraw/zinc/88/35/26/281883526.db2.gz HVODNYJHRWRPHY-UHFFFAOYSA-N -1 0 305.374 1.938 50 0 DDAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCC[C@H]3C(N)=O)c2c1 ZINC000020760959 295256033 /nfs/dbraw/zinc/25/60/33/295256033.db2.gz MMRUJKBACDVEFI-UONOGXRCSA-N -1 0 317.345 1.252 50 0 DDAARM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000262830445 301153026 /nfs/dbraw/zinc/15/30/26/301153026.db2.gz BNUFPPGEHMDDBP-PBHICJAKSA-N -1 0 319.357 1.761 50 0 DDAARM Cc1cc(C)c2c(n[nH]c2NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071284675 301206753 /nfs/dbraw/zinc/20/67/53/301206753.db2.gz OBIMBSPRXYLZRF-VHSXEESVSA-N -1 0 302.334 1.870 50 0 DDAARM Cc1[nH]nc2c1[C@@H](c1ccc(C(=O)[O-])cc1)C1C(=O)OCC1=N2 ZINC000020086352 302532305 /nfs/dbraw/zinc/53/23/05/302532305.db2.gz YIPNHGQQIFEKJP-GFCCVEGCSA-N -1 0 311.297 1.785 50 0 DDAARM CC(C)CN1C[C@@H](C(=O)Nc2cc(C(=O)[O-])cs2)CC1=O ZINC000568466732 308118806 /nfs/dbraw/zinc/11/88/06/308118806.db2.gz QDOWIIBHSRKYQC-VIFPVBQESA-N -1 0 310.375 1.889 50 0 DDAARM Cc1nc(C)n(CCCNC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000534588342 334293247 /nfs/dbraw/zinc/29/32/47/334293247.db2.gz OBPLSGZKQYZYMB-UHFFFAOYSA-N -1 0 302.334 1.413 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cn1 ZINC000659240867 484706039 /nfs/dbraw/zinc/70/60/39/484706039.db2.gz JGRASALFTQFEAT-SECBINFHSA-N -1 0 318.251 1.573 50 0 DDAARM Cc1cc(C(=O)NCc2n[nH]c(=O)[n-]2)c2cc(F)ccc2n1 ZINC000670436320 484829085 /nfs/dbraw/zinc/82/90/85/484829085.db2.gz BOXMMYUESQHJCW-UHFFFAOYSA-N -1 0 301.281 1.436 50 0 DDAARM CC(C)(C(=O)Nc1ccc(C(=O)[O-])cc1F)S(C)(=O)=O ZINC000070127851 490578048 /nfs/dbraw/zinc/57/80/48/490578048.db2.gz AMSMJDFWYGAXJR-UHFFFAOYSA-N -1 0 303.311 1.286 50 0 DDAARM COc1cccc2c1OCC(C(=O)N(CC(=O)[O-])C1CC1)=C2 ZINC000299745764 533896165 /nfs/dbraw/zinc/89/61/65/533896165.db2.gz SGQHCRFELCAGNZ-UHFFFAOYSA-N -1 0 303.314 1.547 50 0 DDAARM O=C([O-])C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000390908850 545661802 /nfs/dbraw/zinc/66/18/02/545661802.db2.gz WBXPINAVJNBKRV-ZIAGYGMSSA-N -1 0 322.405 1.491 50 0 DDAARM COc1ccc(CNC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000169785280 697345606 /nfs/dbraw/zinc/34/56/06/697345606.db2.gz HZIILXANHZPFIX-GFCCVEGCSA-N -1 0 316.365 1.298 50 0 DDAARM Cc1nc2ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cc2s1 ZINC000263087313 698491117 /nfs/dbraw/zinc/49/11/17/698491117.db2.gz MGBXFBXOVKWBCT-SSDOTTSWSA-N -1 0 314.388 1.698 50 0 DDAARM Cc1ccc(CCNC(=O)c2c(C(=O)[O-])cnn2C)c(C)c1 ZINC000863981670 706050141 /nfs/dbraw/zinc/05/01/41/706050141.db2.gz GXWPKDLSOQAIBF-UHFFFAOYSA-N -1 0 301.346 1.708 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cnn(-c3ccccn3)c2)nn1C ZINC000675031332 737527046 /nfs/dbraw/zinc/52/70/46/737527046.db2.gz YWDGQLMFYWRXLG-UHFFFAOYSA-N -1 0 318.362 1.110 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1nc(-c2ccccc2)cs1 ZINC000828896181 759825927 /nfs/dbraw/zinc/82/59/27/759825927.db2.gz KHXDLZNSVNTRRP-YPMHNXCESA-N -1 0 304.371 1.830 50 0 DDAARM O=C(c1ccc(Cl)cn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000585091545 771942875 /nfs/dbraw/zinc/94/28/75/771942875.db2.gz FEEOUDJQPGEIGJ-SECBINFHSA-N -1 0 310.770 1.178 50 0 DDAARM CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000079028562 185147326 /nfs/dbraw/zinc/14/73/26/185147326.db2.gz PHBYLQRCXKHGTF-NSHDSACASA-N -1 0 322.340 1.461 50 0 DDAARM O=C([O-])Cn1cnc2c1nc(Cl)nc2N1CCSCC1 ZINC000079124101 185159578 /nfs/dbraw/zinc/15/95/78/185159578.db2.gz UNEUQJFRIBAPLM-UHFFFAOYSA-N -1 0 313.770 1.118 50 0 DDAARM CC(C)(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262857667 539275890 /nfs/dbraw/zinc/27/58/90/539275890.db2.gz CVJQUOKQJPUZCO-NSHDSACASA-N -1 0 319.423 1.446 50 0 DDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262740946 539275924 /nfs/dbraw/zinc/27/59/24/539275924.db2.gz JHRKYGFSASHCOF-ZETCQYMHSA-N -1 0 322.390 1.612 50 0 DDAARM Cc1[nH]c2c(cccc2C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1C ZINC000067643609 190712175 /nfs/dbraw/zinc/71/21/75/190712175.db2.gz LATDORDICNZMGO-SMDDNHRTSA-N -1 0 316.357 1.835 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H](n2ccnn2)C1 ZINC000685940876 539564473 /nfs/dbraw/zinc/56/44/73/539564473.db2.gz YLSVQPONBGAXFN-UHTWSYAYSA-N -1 0 318.377 1.379 50 0 DDAARM COc1cc(-c2cc(NCC(=O)[O-])nc3[nH]ccc32)nc(N)n1 ZINC000072148290 191054600 /nfs/dbraw/zinc/05/46/00/191054600.db2.gz HTFKOJDJJMFCAE-UHFFFAOYSA-N -1 0 314.305 1.107 50 0 DDAARM C[C@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000237499418 186297814 /nfs/dbraw/zinc/29/78/14/186297814.db2.gz XBCWEFHFLUSPGX-LLVKDONJSA-N -1 0 304.346 1.260 50 0 DDAARM COc1ccc(NC(=O)[C@@H]2CCCCN2CC(=O)[O-])cc1OC ZINC000004714167 352112482 /nfs/dbraw/zinc/11/24/82/352112482.db2.gz NZKSYFMFSUCMKB-LBPRGKRZSA-N -1 0 322.361 1.581 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccncc1)C2 ZINC000072476584 191178367 /nfs/dbraw/zinc/17/83/67/191178367.db2.gz FCJKLBPVMGOFEX-UHFFFAOYSA-N -1 0 300.362 1.701 50 0 DDAARM C[C@@H](Oc1cccc(Br)c1)C(=O)NCCC(=O)[O-] ZINC000001787360 180896687 /nfs/dbraw/zinc/89/66/87/180896687.db2.gz ZYEVTMJJKSFRCE-MRVPVSSYSA-N -1 0 316.151 1.807 50 0 DDAARM O=C(CSc1[n-]c(=O)nc2nc[nH]c21)Nc1ccccn1 ZINC000075278276 353357204 /nfs/dbraw/zinc/35/72/04/353357204.db2.gz GTTZLXKMQFCROY-UHFFFAOYSA-N -1 0 302.319 1.136 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000003281823 181000113 /nfs/dbraw/zinc/00/01/13/181000113.db2.gz PAUCQAGPQVWROA-SNVBAGLBSA-N -1 0 307.368 1.310 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])cc1 ZINC000003289256 181000762 /nfs/dbraw/zinc/00/07/62/181000762.db2.gz SHGHKXMUEWMGNJ-NSHDSACASA-N -1 0 319.404 1.180 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccon1)c1cc2cccc(F)c2o1 ZINC000124584165 354040381 /nfs/dbraw/zinc/04/03/81/354040381.db2.gz KFELVNZGNNGEQV-UHFFFAOYSA-N -1 0 324.289 1.820 50 0 DDAARM C[C@@H](C(=O)[N-]S(=O)(=O)c1cccs1)N1CCCCCC1 ZINC000123579978 354033676 /nfs/dbraw/zinc/03/36/76/354033676.db2.gz FJSKXKZVBBYGSB-NSHDSACASA-N -1 0 316.448 1.818 50 0 DDAARM Cc1nc2sc([C@@H](c3ccco3)N3CCOCC3)c([O-])n2n1 ZINC000004111868 181074770 /nfs/dbraw/zinc/07/47/70/181074770.db2.gz AVSQPCDYTBQJQM-LLVKDONJSA-N -1 0 320.374 1.819 50 0 DDAARM COc1cc(C(=O)N2CC3(COC3)[C@](F)(C(=O)[O-])C2)ccc1C ZINC000585134262 354811297 /nfs/dbraw/zinc/81/12/97/354811297.db2.gz KEIJTYFZIQFCOC-MRXNPFEDSA-N -1 0 323.320 1.269 50 0 DDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000005252755 181222547 /nfs/dbraw/zinc/22/25/47/181222547.db2.gz IYKLQLCRXDBSQL-UHFFFAOYSA-N -1 0 318.354 1.991 50 0 DDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000236855059 202039468 /nfs/dbraw/zinc/03/94/68/202039468.db2.gz QJMGOXAOKMHUBJ-AEGPPILISA-N -1 0 316.357 1.705 50 0 DDAARM CCN1C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)CC1=O ZINC000236910368 202067039 /nfs/dbraw/zinc/06/70/39/202067039.db2.gz OUZVJCUPQUDZSP-GXTWGEPZSA-N -1 0 318.373 1.495 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000236938253 202080929 /nfs/dbraw/zinc/08/09/29/202080929.db2.gz ANLSKLWNMBYXLS-JTQLQIEISA-N -1 0 304.346 1.897 50 0 DDAARM Cc1nn(-c2ccccc2)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237883875 202379765 /nfs/dbraw/zinc/37/97/65/202379765.db2.gz RAWVZBBPUWVKSM-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM Cn1cc(C(=O)[N-]S(=O)(=O)N2CCCC2)c2ccccc21 ZINC000006669374 181367883 /nfs/dbraw/zinc/36/78/83/181367883.db2.gz OSMDUQOBBXWUBF-UHFFFAOYSA-N -1 0 307.375 1.249 50 0 DDAARM CCCc1nnc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])s1 ZINC000091713713 193095948 /nfs/dbraw/zinc/09/59/48/193095948.db2.gz FGUPTLYPHYKXSN-SECBINFHSA-N -1 0 324.406 1.050 50 0 DDAARM CCOCCC(=O)N1C[C@@H](c2ccccc2OC)[C@H](C(=O)[O-])C1 ZINC000091746491 193100921 /nfs/dbraw/zinc/10/09/21/193100921.db2.gz UNDNTZFJECSNGO-UONOGXRCSA-N -1 0 321.373 1.748 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000262085550 304134480 /nfs/dbraw/zinc/13/44/80/304134480.db2.gz HLANQEFURRQINY-LBPRGKRZSA-N -1 0 323.732 1.428 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000262453333 203298037 /nfs/dbraw/zinc/29/80/37/203298037.db2.gz HLHKJFOPUGIXCA-CYBMUJFWSA-N -1 0 322.748 1.607 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000262589412 203340660 /nfs/dbraw/zinc/34/06/60/203340660.db2.gz HKMQSJXTTNUVAS-QWRGUYRKSA-N -1 0 317.263 1.965 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000262632585 203357856 /nfs/dbraw/zinc/35/78/56/203357856.db2.gz OQNSRWAMQIQYFI-KBPBESRZSA-N -1 0 316.357 1.146 50 0 DDAARM Cn1c(=O)cc(CSc2ccccc2C(=O)[O-])n(C)c1=O ZINC000012759274 181794147 /nfs/dbraw/zinc/79/41/47/181794147.db2.gz SDSBCFSRQDANQK-UHFFFAOYSA-N -1 0 306.343 1.075 50 0 DDAARM COc1cc([C@H]2ON=C(C(=O)[O-])[C@@H]2C)c(OC)c2c1OCO2 ZINC000014987657 181981518 /nfs/dbraw/zinc/98/15/18/181981518.db2.gz YJJCMPMXQUYKAT-WKEGUHRASA-N -1 0 309.274 1.581 50 0 DDAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000016726460 182058548 /nfs/dbraw/zinc/05/85/48/182058548.db2.gz SYABNKBAUFJLJG-UHFFFAOYSA-N -1 0 320.370 1.985 50 0 DDAARM CCn1ncc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1C ZINC000017031717 182069725 /nfs/dbraw/zinc/06/97/25/182069725.db2.gz KLBNSEBPQGFCSE-UHFFFAOYSA-N -1 0 308.363 1.111 50 0 DDAARM CCOc1ccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)cc1 ZINC000019228514 182108893 /nfs/dbraw/zinc/10/88/93/182108893.db2.gz QLJQVISKFYAQIK-LLVKDONJSA-N -1 0 309.343 1.535 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2cccc(Cl)c2)c1 ZINC000020556536 182231367 /nfs/dbraw/zinc/23/13/67/182231367.db2.gz UPWDXSFQICEWDP-UHFFFAOYSA-N -1 0 306.705 1.839 50 0 DDAARM COc1ccc(OC)c(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020614968 182239379 /nfs/dbraw/zinc/23/93/79/182239379.db2.gz CVWNKLPWGWXAFP-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM CCOC(=O)c1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020616733 182239693 /nfs/dbraw/zinc/23/96/93/182239693.db2.gz ZMGWKCRELPQZET-UHFFFAOYSA-N -1 0 317.301 1.547 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000032070855 182632730 /nfs/dbraw/zinc/63/27/30/182632730.db2.gz FDLSCKWHUJBFRW-UHFFFAOYSA-N -1 0 310.273 1.008 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000037518407 182903486 /nfs/dbraw/zinc/90/34/86/182903486.db2.gz CQMYIZIZBACJQZ-UWVGGRQHSA-N -1 0 303.236 1.922 50 0 DDAARM COc1ccc(OC)c(-c2ccc(=O)n(CCC(=O)[O-])n2)c1 ZINC000041528984 183198015 /nfs/dbraw/zinc/19/80/15/183198015.db2.gz HJNJJSSVIFQSCS-UHFFFAOYSA-N -1 0 304.302 1.402 50 0 DDAARM CCOc1cc(C(=O)N2CCOCC2)ccc1OCC(=O)[O-] ZINC000268915683 207082878 /nfs/dbraw/zinc/08/28/78/207082878.db2.gz PVINAKFSESHZEP-UHFFFAOYSA-N -1 0 309.318 1.021 50 0 DDAARM C[C@H](Oc1cccc(Br)c1)C(=O)NCC(=O)[O-] ZINC000064873052 184305261 /nfs/dbraw/zinc/30/52/61/184305261.db2.gz GOTAIKBVHSYLPF-ZETCQYMHSA-N -1 0 302.124 1.417 50 0 DDAARM COc1ccccc1CN(CCO)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000323885339 257241713 /nfs/dbraw/zinc/24/17/13/257241713.db2.gz UPIZOZJFIJRQJS-QWHCGFSZSA-N -1 0 321.373 1.517 50 0 DDAARM CCOc1ccc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000268982329 257257399 /nfs/dbraw/zinc/25/73/99/257257399.db2.gz NPYPEWLAEJKKQS-AWEZNQCLSA-N -1 0 307.346 1.330 50 0 DDAARM Cc1ccn(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)n1 ZINC000071763164 257270530 /nfs/dbraw/zinc/27/05/30/257270530.db2.gz FZIIBKPCTDZGBR-UHFFFAOYSA-N -1 0 323.374 1.566 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC000299745874 533284268 /nfs/dbraw/zinc/28/42/68/533284268.db2.gz TTYHUNLCKNYUQM-YPMHNXCESA-N -1 0 305.330 1.322 50 0 DDAARM CCO[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000263171528 286297488 /nfs/dbraw/zinc/29/74/88/286297488.db2.gz KQLMAVHSLQRMQQ-FQUUOJAGSA-N -1 0 311.378 1.140 50 0 DDAARM Cn1cc([C@@H](NC(=O)c2ccc(F)cc2[O-])C2CC(O)C2)cn1 ZINC000223251841 407564284 /nfs/dbraw/zinc/56/42/84/407564284.db2.gz IQRWDQIVBMWRJM-CQWGXMFFSA-N -1 0 319.336 1.507 50 0 DDAARM CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000000556155 406656612 /nfs/dbraw/zinc/65/66/12/406656612.db2.gz GQXHITYRCGIMGV-NEPJUHHUSA-N -1 0 312.366 1.178 50 0 DDAARM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccccc3O)ccc21 ZINC000000814693 406658176 /nfs/dbraw/zinc/65/81/76/406658176.db2.gz XKEYBFOXNMHJTG-UHFFFAOYSA-N -1 0 320.326 1.638 50 0 DDAARM CCn1cc(NC(=O)CCCC(=O)[O-])c(C(=O)NCC(C)C)n1 ZINC000001460263 406672785 /nfs/dbraw/zinc/67/27/85/406672785.db2.gz UDQMJWDLQPSRQP-UHFFFAOYSA-N -1 0 324.381 1.482 50 0 DDAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC)n1 ZINC000002809453 406700906 /nfs/dbraw/zinc/70/09/06/406700906.db2.gz MQKXMRRTUZYOPZ-ZJUUUORDSA-N -1 0 322.365 1.092 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000323399 406639850 /nfs/dbraw/zinc/63/98/50/406639850.db2.gz HHAAIAYQIHCDFL-VXGBXAGGSA-N -1 0 303.314 1.699 50 0 DDAARM O=Cc1ccc(OCC(=O)[O-])c(I)c1 ZINC000000454330 406648011 /nfs/dbraw/zinc/64/80/11/406648011.db2.gz WOPHVOMYKJFRPK-UHFFFAOYSA-N -1 0 306.055 1.567 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)o1 ZINC000069846757 406781436 /nfs/dbraw/zinc/78/14/36/406781436.db2.gz UZAAJIAVRSDXHJ-UHFFFAOYSA-N -1 0 321.314 1.743 50 0 DDAARM COC(=O)CSc1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000009306788 406805268 /nfs/dbraw/zinc/80/52/68/406805268.db2.gz QEFUHPQVDSGBGH-UHFFFAOYSA-N -1 0 316.342 1.762 50 0 DDAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCc1ccccc1 ZINC000008763159 406796258 /nfs/dbraw/zinc/79/62/58/406796258.db2.gz FJPAOQKJHRNFCQ-SNVBAGLBSA-N -1 0 321.358 1.485 50 0 DDAARM CN(C)C(=O)Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071285110 406835933 /nfs/dbraw/zinc/83/59/33/406835933.db2.gz QLWOAIMSJKYMEJ-ZIAGYGMSSA-N -1 0 318.373 1.613 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2ccccc2)no1 ZINC000071283551 406836001 /nfs/dbraw/zinc/83/60/01/406836001.db2.gz VIHIPJVDHQSAHX-NEPJUHHUSA-N -1 0 315.329 1.710 50 0 DDAARM CC[C@H](C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000025106962 406894376 /nfs/dbraw/zinc/89/43/76/406894376.db2.gz LRTBCPFCBUZNSH-LKFCYVNXSA-N -1 0 317.345 1.081 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000031809277 406942768 /nfs/dbraw/zinc/94/27/68/406942768.db2.gz VODVFVFZFKUKCK-UHFFFAOYSA-N -1 0 309.285 1.613 50 0 DDAARM O=C([O-])C1(NC(=O)CCNC(=O)c2ccccc2)CCCCC1 ZINC000095349581 407207337 /nfs/dbraw/zinc/20/73/37/407207337.db2.gz XZDPBVIZRZMKMX-UHFFFAOYSA-N -1 0 318.373 1.710 50 0 DDAARM Cc1ncsc1CCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000095354127 407208406 /nfs/dbraw/zinc/20/84/06/407208406.db2.gz DZBAHEMHQPDCFY-LBPRGKRZSA-N -1 0 319.386 1.591 50 0 DDAARM O=C([O-])[C@@H](c1cnn(Cc2ccccc2)c1)N1CCOCC1 ZINC000095374616 407211180 /nfs/dbraw/zinc/21/11/80/407211180.db2.gz DSYUVKKKFPSNFV-OAHLLOKOSA-N -1 0 301.346 1.389 50 0 DDAARM O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1nc(=O)[nH][n-]1 ZINC000096011063 407223618 /nfs/dbraw/zinc/22/36/18/407223618.db2.gz QUDNNROLZAIWSH-UHFFFAOYSA-N -1 0 320.312 1.689 50 0 DDAARM CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102337298 407321866 /nfs/dbraw/zinc/32/18/66/407321866.db2.gz TWGMMOFPMCCJHR-SECBINFHSA-N -1 0 305.403 1.997 50 0 DDAARM NS(=O)(=O)c1ccc(-c2nc(=O)c3cscc3[n-]2)cc1 ZINC000097083538 407278911 /nfs/dbraw/zinc/27/89/11/407278911.db2.gz FKFURJQXIDVLEC-UHFFFAOYSA-N -1 0 307.356 1.299 50 0 DDAARM CCc1cccc(S(=O)(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000097097291 407279909 /nfs/dbraw/zinc/27/99/09/407279909.db2.gz DOBHONRSKOHNGJ-JTQLQIEISA-N -1 0 309.395 1.186 50 0 DDAARM CN1CCN(C(=O)C2(c3ccccc3F)CC2)C[C@@H]1C(=O)[O-] ZINC000067692293 407280377 /nfs/dbraw/zinc/28/03/77/407280377.db2.gz DDAIRVWRJBKVGO-CYBMUJFWSA-N -1 0 306.337 1.085 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nonc2C)cc1Cl ZINC000097162353 407284320 /nfs/dbraw/zinc/28/43/20/407284320.db2.gz XNMWMNMLQQAXPT-UHFFFAOYSA-N -1 0 303.727 1.841 50 0 DDAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1-c1nc2ccccc2[nH]1 ZINC000097521944 407299192 /nfs/dbraw/zinc/29/91/92/407299192.db2.gz IPGKLPDHLADEPD-VIFPVBQESA-N -1 0 313.317 1.410 50 0 DDAARM O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)[N-]OCc1ccccc1 ZINC000097601815 407300674 /nfs/dbraw/zinc/30/06/74/407300674.db2.gz LUCPJZNTDFUTBS-ZIAGYGMSSA-N -1 0 314.341 1.186 50 0 DDAARM Cc1ccc(C[C@@H](C)C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1 ZINC000124431244 407358553 /nfs/dbraw/zinc/35/85/53/407358553.db2.gz TUUDTVLGRGJYCL-OLZOCXBDSA-N -1 0 301.394 1.949 50 0 DDAARM COc1ccc(C(=O)[O-])cc1NC(=O)CSc1ncccn1 ZINC000215677523 407486338 /nfs/dbraw/zinc/48/63/38/407486338.db2.gz DRPMLPFBIXMKPF-UHFFFAOYSA-N -1 0 319.342 1.914 50 0 DDAARM O=C(CN1c2ccccc2CCCC1=O)[N-]O[C@H]1CCCCO1 ZINC000170620523 407457647 /nfs/dbraw/zinc/45/76/47/407457647.db2.gz VRPNTLXVBDZPHY-KRWDZBQOSA-N -1 0 318.373 1.930 50 0 DDAARM COC(=O)[C@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647367 407463020 /nfs/dbraw/zinc/46/30/20/407463020.db2.gz HGXKSPKHGRVWTN-SNVBAGLBSA-N -1 0 306.343 1.894 50 0 DDAARM COc1ccc([C@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@H](O)C2)cn1 ZINC000219882078 407534744 /nfs/dbraw/zinc/53/47/44/407534744.db2.gz UZAVPSAVBBWXTL-RBZYPMLTSA-N -1 0 319.317 1.026 50 0 DDAARM COc1ccc([C@@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@H](O)C2)cn1 ZINC000219882043 407536152 /nfs/dbraw/zinc/53/61/52/407536152.db2.gz UZAVPSAVBBWXTL-ISTVAULSSA-N -1 0 319.317 1.026 50 0 DDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1nnc2n1CCCCC2 ZINC000220081391 407538163 /nfs/dbraw/zinc/53/81/63/407538163.db2.gz JWQDKHAWIRALMT-NSHDSACASA-N -1 0 308.382 1.768 50 0 DDAARM O=C([O-])CCC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000116357524 407746328 /nfs/dbraw/zinc/74/63/28/407746328.db2.gz GZNZNYHVSCOOBV-UHFFFAOYSA-N -1 0 324.808 1.892 50 0 DDAARM O=C([O-])C1CCC(NC(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000262213521 407766105 /nfs/dbraw/zinc/76/61/05/407766105.db2.gz TYZAQZDDPKOKBP-UHFFFAOYSA-N -1 0 319.357 1.760 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)CCO1 ZINC000238195335 407895025 /nfs/dbraw/zinc/89/50/25/407895025.db2.gz HVHSNFDAPHJLTP-LLVKDONJSA-N -1 0 307.321 1.559 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000240333242 407906515 /nfs/dbraw/zinc/90/65/15/407906515.db2.gz FCKVTCBNTCJBEC-OLZOCXBDSA-N -1 0 318.304 1.860 50 0 DDAARM CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000118955258 407963524 /nfs/dbraw/zinc/96/35/24/407963524.db2.gz KLZZRPZLSXTNDN-NSHDSACASA-N -1 0 310.394 1.251 50 0 DDAARM C[C@H]1C(=O)N(CC(=O)[O-])CCN1Cc1ccc2ccn(C)c2c1 ZINC000244715762 407930577 /nfs/dbraw/zinc/93/05/77/407930577.db2.gz LBSBOAWHIGVEMD-LBPRGKRZSA-N -1 0 315.373 1.296 50 0 DDAARM C[C@]1(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCCOC1 ZINC000262975497 407991547 /nfs/dbraw/zinc/99/15/47/407991547.db2.gz KHSWEAVGCWIXFR-RYUDHWBXSA-N -1 0 309.284 1.669 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2c1 ZINC000263217052 408061915 /nfs/dbraw/zinc/06/19/15/408061915.db2.gz XTRVJQMJNUTLGA-CYBMUJFWSA-N -1 0 304.302 1.102 50 0 DDAARM Cc1noc(C2(C)CCN(c3cnc(C(=O)[O-])cn3)CC2)n1 ZINC000263425573 408135209 /nfs/dbraw/zinc/13/52/09/408135209.db2.gz RBZSJJGBYDASPP-UHFFFAOYSA-N -1 0 303.322 1.424 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000263553328 408173197 /nfs/dbraw/zinc/17/31/97/408173197.db2.gz MLVNHCKTVRTWFK-WCQYABFASA-N -1 0 304.346 1.361 50 0 DDAARM Cc1ccc(C2(C(=O)N(C)CCC(=O)[O-])CCOCC2)cc1 ZINC000156024357 408233474 /nfs/dbraw/zinc/23/34/74/408233474.db2.gz TUSVHISQFLRXRS-UHFFFAOYSA-N -1 0 305.374 1.976 50 0 DDAARM CCC[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000162135195 408673841 /nfs/dbraw/zinc/67/38/41/408673841.db2.gz HXCCOKRNBQNBAU-CHWSQXEVSA-N -1 0 301.350 1.471 50 0 DDAARM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000262838144 163884207 /nfs/dbraw/zinc/88/42/07/163884207.db2.gz RUHXQHJJEHEZLX-LBPRGKRZSA-N -1 0 316.357 1.197 50 0 DDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cccc3c2CCC3)C1 ZINC000263147447 163921471 /nfs/dbraw/zinc/92/14/71/163921471.db2.gz UORIXKLFXPUKTK-CHWSQXEVSA-N -1 0 303.358 1.880 50 0 DDAARM Cc1cccnc1CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263314387 163948970 /nfs/dbraw/zinc/94/89/70/163948970.db2.gz ILXFTLIHLDMAAI-WCQYABFASA-N -1 0 305.378 1.685 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCO2 ZINC000337978889 409623839 /nfs/dbraw/zinc/62/38/39/409623839.db2.gz MDTRYEOQYSCIJR-VIFPVBQESA-N -1 0 315.347 1.289 50 0 DDAARM O=C([O-])C1(NS(=O)(=O)c2cccc3cnccc32)CCCC1 ZINC000314362256 409825124 /nfs/dbraw/zinc/82/51/24/409825124.db2.gz PWVRYHDLEBMJKM-UHFFFAOYSA-N -1 0 320.370 1.911 50 0 DDAARM CCc1ncc(S(=O)(=O)[N-]c2nc3n(n2)CCCC3)s1 ZINC000333402872 410527057 /nfs/dbraw/zinc/52/70/57/410527057.db2.gz IWTJRELEEUBNHI-UHFFFAOYSA-N -1 0 313.408 1.434 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H]3CCCCNC3=O)c12 ZINC000299765579 410612788 /nfs/dbraw/zinc/61/27/88/410612788.db2.gz OIPUTXGPKVMNAN-QMMMGPOBSA-N -1 0 320.374 1.779 50 0 DDAARM CN(CC(=O)NC1(C(=O)[O-])CCCC1)Cc1ccc(F)cc1 ZINC000299779788 410620587 /nfs/dbraw/zinc/62/05/87/410620587.db2.gz RPKBHCZAWVNXGZ-UHFFFAOYSA-N -1 0 308.353 1.771 50 0 DDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2ncncc2C1 ZINC000647733949 423019633 /nfs/dbraw/zinc/01/96/33/423019633.db2.gz KQNMMZUHRXKEAN-OCCSQVGLSA-N -1 0 317.389 1.827 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)Nc3cccnc3)cc2[n-]c1=S ZINC000102873680 418495509 /nfs/dbraw/zinc/49/55/09/418495509.db2.gz CJIMDVLAPRXBDH-UHFFFAOYSA-N -1 0 312.354 1.870 50 0 DDAARM COc1ccc(C)cc1/C=C\C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000388199986 418745795 /nfs/dbraw/zinc/74/57/95/418745795.db2.gz SNZPVJJJUIAZJY-AGLBCWCQSA-N -1 0 305.330 1.329 50 0 DDAARM Cc1ccc(OCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000372158280 418841040 /nfs/dbraw/zinc/84/10/40/418841040.db2.gz WQCMTZCXJWDLDC-LBPRGKRZSA-N -1 0 301.350 1.293 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000426414765 419465605 /nfs/dbraw/zinc/46/56/05/419465605.db2.gz UAKHGDOUMLBXRH-CYBMUJFWSA-N -1 0 315.377 1.462 50 0 DDAARM Cc1nc(CC(C)C)sc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299748593 229390968 /nfs/dbraw/zinc/39/09/68/229390968.db2.gz HOQJDDVQQYFJKO-SNVBAGLBSA-N -1 0 312.391 1.576 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H](n3ccnn3)C2)cc1 ZINC000425260650 420331527 /nfs/dbraw/zinc/33/15/27/420331527.db2.gz VCPTYTANWZDKJM-ZDUSSCGKSA-N -1 0 300.318 1.454 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc2cnccc21)C1CCOCC1 ZINC000563142622 421462919 /nfs/dbraw/zinc/46/29/19/421462919.db2.gz NJSQQEFZFNGDNE-UHFFFAOYSA-N -1 0 314.341 1.941 50 0 DDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CCn2cc(Cl)cn2)C1 ZINC000630191947 421948851 /nfs/dbraw/zinc/94/88/51/421948851.db2.gz VVFLFSGNVYDJTH-QWRGUYRKSA-N -1 0 315.757 1.017 50 0 DDAARM Cc1cc(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)[nH]n1 ZINC000630241877 421983453 /nfs/dbraw/zinc/98/34/53/421983453.db2.gz FSSRCVBVSWDUNQ-UHFFFAOYSA-N -1 0 320.374 1.893 50 0 DDAARM O=C(CCc1nnn[n-]1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000585120884 422306877 /nfs/dbraw/zinc/30/68/77/422306877.db2.gz SVKZXDXNCGEUJM-UHFFFAOYSA-N -1 0 317.368 1.900 50 0 DDAARM CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N1Cc2ccccc2C1=O ZINC000659762043 424230208 /nfs/dbraw/zinc/23/02/08/424230208.db2.gz ZLJCDMXBPPBVSF-GWCFXTLKSA-N -1 0 304.346 1.256 50 0 DDAARM O=C([O-])COc1cccc(C(=O)N[C@H]2CCc3n[nH]cc3C2)c1 ZINC000659752812 424217436 /nfs/dbraw/zinc/21/74/36/424217436.db2.gz DYQJIOWVZNQGAG-LBPRGKRZSA-N -1 0 315.329 1.160 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000071284470 281471440 /nfs/dbraw/zinc/47/14/40/281471440.db2.gz ZAIOFDPMSKXRFI-RYUDHWBXSA-N -1 0 304.302 1.962 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000008030057 297061938 /nfs/dbraw/zinc/06/19/38/297061938.db2.gz WVOJRRGMQWUFRK-RKDXNWHRSA-N -1 0 317.338 1.322 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@](C)(O)CC2)c1 ZINC000426478706 294944433 /nfs/dbraw/zinc/94/44/33/294944433.db2.gz IJGRAZJHZVSTEQ-MRXNPFEDSA-N -1 0 307.346 1.771 50 0 DDAARM COc1ccc(CN2CCN(CC(=O)[O-])C(=O)[C@@H]2C)c(C)c1 ZINC000534629972 334305321 /nfs/dbraw/zinc/30/53/21/334305321.db2.gz CUDWUSNAEJENRX-LBPRGKRZSA-N -1 0 306.362 1.121 50 0 DDAARM COc1ccc([C@@H]2C[C@H]2C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000659136024 484646187 /nfs/dbraw/zinc/64/61/87/484646187.db2.gz PTFDDIHUNGIZKK-UONOGXRCSA-N -1 0 319.357 1.237 50 0 DDAARM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccnn1C ZINC000663140196 484698120 /nfs/dbraw/zinc/69/81/20/484698120.db2.gz BIRVYRCUIALGJS-BDJLRTHQSA-N -1 0 301.346 1.640 50 0 DDAARM C[C@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1cnn(C)c1 ZINC000663140504 484699004 /nfs/dbraw/zinc/69/90/04/484699004.db2.gz DXOHGCBAPALFOS-ZBEGNZNMSA-N -1 0 301.346 1.640 50 0 DDAARM C[C@]1(C(F)F)CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000663148615 484704587 /nfs/dbraw/zinc/70/45/87/484704587.db2.gz SUYFTXLJMCPIKS-CYBMUJFWSA-N -1 0 300.261 1.276 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000299748556 534525550 /nfs/dbraw/zinc/52/55/50/534525550.db2.gz HLGIKVIYYRHQRK-QMMMGPOBSA-N -1 0 324.383 1.797 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000299747748 534526171 /nfs/dbraw/zinc/52/61/71/534526171.db2.gz DXRQTGFPMSVGNU-AWEZNQCLSA-N -1 0 305.330 1.401 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000299750554 534539710 /nfs/dbraw/zinc/53/97/10/534539710.db2.gz NVSPSRYMQWTIMP-OAHLLOKOSA-N -1 0 319.357 1.934 50 0 DDAARM CCc1cc(C(=O)N[C@@](C)(Cc2ccccc2)C(=O)[O-])[nH]n1 ZINC000170044812 545647961 /nfs/dbraw/zinc/64/79/61/545647961.db2.gz JAWRNRVSXLTAHI-INIZCTEOSA-N -1 0 301.346 1.788 50 0 DDAARM COc1ccc(S(=O)(=O)N(C)CCC(=O)[O-])c2ccccc12 ZINC000261680362 596981341 /nfs/dbraw/zinc/98/13/41/596981341.db2.gz LSZZUCBTRXGANU-UHFFFAOYSA-N -1 0 323.370 1.944 50 0 DDAARM O=C([O-])c1cnc(N2CCSCC2)nc1-c1ccncc1 ZINC000169751756 697343810 /nfs/dbraw/zinc/34/38/10/697343810.db2.gz DXIDQAZEXSIWQN-UHFFFAOYSA-N -1 0 302.359 1.790 50 0 DDAARM O=C([O-])c1ccccc1C=NNC(=O)c1ccc2c(c1)OCO2 ZINC000254763804 698408082 /nfs/dbraw/zinc/40/80/82/698408082.db2.gz JSVUDEXSCMFFID-UHFFFAOYSA-N -1 0 312.281 1.877 50 0 DDAARM COCCn1cc(NC(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000863981658 706049797 /nfs/dbraw/zinc/04/97/97/706049797.db2.gz FBGSDKYAVONWKQ-UHFFFAOYSA-N -1 0 303.318 1.409 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C=N[C@@H]3C=CC=C[C@@H]32)cc1 ZINC000951726573 721155606 /nfs/dbraw/zinc/15/56/06/721155606.db2.gz CJQGZOFCJDPNBS-KGLIPLIRSA-N -1 0 317.370 1.600 50 0 DDAARM O=C([N-]Cc1cn(CCOc2ccccc2)nn1)C(F)(F)F ZINC000585138866 771967405 /nfs/dbraw/zinc/96/74/05/771967405.db2.gz MCYYUTVAICYXIO-UHFFFAOYSA-N -1 0 314.267 1.536 50 0 DDAARM COc1ccc(N)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000316776375 879467996 /nfs/dbraw/zinc/46/79/96/879467996.db2.gz DFXVTSDSECLVJI-UHFFFAOYSA-N -1 0 323.330 1.986 50 0 DDAARM COc1ccc(F)c(F)c1CN1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000095521088 185377291 /nfs/dbraw/zinc/37/72/91/185377291.db2.gz RTLUMFOAAGTKLZ-LBPRGKRZSA-N -1 0 323.299 1.708 50 0 DDAARM O=C(c1nc(Cl)cs1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000328592062 231234920 /nfs/dbraw/zinc/23/49/20/231234920.db2.gz SZDMMRRXXSYIGY-ZCFIWIBFSA-N -1 0 313.770 1.988 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000095424872 185361526 /nfs/dbraw/zinc/36/15/26/185361526.db2.gz BOIMZQNIKGLEAV-QLJPJBMISA-N -1 0 309.410 1.975 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000095435634 185364728 /nfs/dbraw/zinc/36/47/28/185364728.db2.gz OVKONQFRKUSMKB-NWDGAFQWSA-N -1 0 302.334 1.239 50 0 DDAARM c1cnn(-c2cccc(-c3nccn3CCCc3nn[nH]n3)c2)c1 ZINC000072168080 191066513 /nfs/dbraw/zinc/06/65/13/191066513.db2.gz QUGIZMAQLGVLSP-UHFFFAOYSA-N -1 0 320.360 1.882 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000237465967 186294007 /nfs/dbraw/zinc/29/40/07/186294007.db2.gz SNZSXPRLCHDPKT-SECBINFHSA-N -1 0 316.361 1.491 50 0 DDAARM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)n(C)n1 ZINC000262868482 186316433 /nfs/dbraw/zinc/31/64/33/186316433.db2.gz FUVNRGHJGINVRC-UHFFFAOYSA-N -1 0 305.309 1.595 50 0 DDAARM CSCC[C@@H](NC(=O)CN1CCc2ccccc2C1)C(=O)[O-] ZINC000033461692 352290670 /nfs/dbraw/zinc/29/06/70/352290670.db2.gz SRIRDHRTIJZNCR-CQSZACIVSA-N -1 0 322.430 1.367 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(c3ccncc3F)CC2)c1 ZINC000072475666 191177209 /nfs/dbraw/zinc/17/72/09/191177209.db2.gz XSAOQBXAAZJDRH-UHFFFAOYSA-N -1 0 304.325 1.806 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@H]2COc3ccccc3C2)n1 ZINC000173655673 198237519 /nfs/dbraw/zinc/23/75/19/198237519.db2.gz WLEDPZOTPPSLFR-SNVBAGLBSA-N -1 0 318.354 1.709 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001678274 180887265 /nfs/dbraw/zinc/88/72/65/180887265.db2.gz YPXHSERXWVIZGK-RISCZKNCSA-N -1 0 322.361 1.528 50 0 DDAARM Cc1cc(F)ccc1S(=O)(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000097377615 353919703 /nfs/dbraw/zinc/91/97/03/353919703.db2.gz YEUMEKMIQIJRCC-VIFPVBQESA-N -1 0 313.358 1.071 50 0 DDAARM O=C([O-])CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccco1 ZINC000003764968 181045516 /nfs/dbraw/zinc/04/55/16/181045516.db2.gz ARWIDJYXRUTGPZ-FMIVXFBMSA-N -1 0 314.297 1.251 50 0 DDAARM CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000003888120 181052840 /nfs/dbraw/zinc/05/28/40/181052840.db2.gz JOYHRQMOHPQWII-UHFFFAOYSA-N -1 0 322.180 1.834 50 0 DDAARM C[C@H](CN(C)C(=O)[C@@H]1Oc2ccccc2[C@@H]1C)c1nnn[n-]1 ZINC000156528248 354219136 /nfs/dbraw/zinc/21/91/36/354219136.db2.gz ITSDYFDKZXTEFM-GBIKHYSHSA-N -1 0 301.350 1.326 50 0 DDAARM O=C([O-])c1cc(NC(=O)CSc2cn[nH]n2)ccc1Cl ZINC000004386618 181106194 /nfs/dbraw/zinc/10/61/94/181106194.db2.gz YWRCDPFWCUXNIX-UHFFFAOYSA-N -1 0 312.738 1.887 50 0 DDAARM C[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(N)=O)C1 ZINC000004645993 181131347 /nfs/dbraw/zinc/13/13/47/181131347.db2.gz OVVWZZSKFSWVGW-ZETCQYMHSA-N -1 0 310.375 1.775 50 0 DDAARM O=C([O-])c1cc(C(=O)NCc2ccc3c(c2)OCCCO3)no1 ZINC000585134486 354811049 /nfs/dbraw/zinc/81/10/49/354811049.db2.gz WANVLKUJLXBEQO-UHFFFAOYSA-N -1 0 318.285 1.464 50 0 DDAARM Cn1c2ccc([N-]S(=O)(=O)c3cccs3)cc2n(C)c1=O ZINC000004913889 181172332 /nfs/dbraw/zinc/17/23/32/181172332.db2.gz ABAJVFABVYOKMH-UHFFFAOYSA-N -1 0 323.399 1.739 50 0 DDAARM Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)[O-] ZINC000005028055 181192145 /nfs/dbraw/zinc/19/21/45/181192145.db2.gz YFXVFSJNLBICDR-UHFFFAOYSA-N -1 0 301.364 1.393 50 0 DDAARM Cc1cccc(C)c1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000005642059 181267357 /nfs/dbraw/zinc/26/73/57/181267357.db2.gz MWNRZNBPOILYQH-UHFFFAOYSA-N -1 0 304.375 1.821 50 0 DDAARM CCOCc1ccccc1CNC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000236985040 202107857 /nfs/dbraw/zinc/10/78/57/202107857.db2.gz CICSJXYIPHUWIF-HNNXBMFYSA-N -1 0 320.389 1.388 50 0 DDAARM CCc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000237097444 202153227 /nfs/dbraw/zinc/15/32/27/202153227.db2.gz ZQJYIGLPKJQRHV-GFCCVEGCSA-N -1 0 313.357 1.981 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N(C)CC(=O)[O-])C2=O)cc1C ZINC000237151392 202168467 /nfs/dbraw/zinc/16/84/67/202168467.db2.gz LHULQJMSCIDUBN-ZDUSSCGKSA-N -1 0 304.346 1.199 50 0 DDAARM O=C([O-])CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1 ZINC000036242363 304073187 /nfs/dbraw/zinc/07/31/87/304073187.db2.gz BSSWSKSNCYOFKM-UHFFFAOYSA-N -1 0 302.315 1.286 50 0 DDAARM CCCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)C(C)(C)C1=O ZINC000263410705 283347436 /nfs/dbraw/zinc/34/74/36/283347436.db2.gz IWUHXFXQMBJYON-UHFFFAOYSA-N -1 0 318.373 1.858 50 0 DDAARM C[C@H](NC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1)C(=O)[O-] ZINC000237518489 202269126 /nfs/dbraw/zinc/26/91/26/202269126.db2.gz WLSKMFRYARZRKK-SMDDNHRTSA-N -1 0 308.353 1.770 50 0 DDAARM C[C@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)Cc1cccc(F)c1 ZINC000237538678 202276441 /nfs/dbraw/zinc/27/64/41/202276441.db2.gz GVRNGDLJPIBORM-FZMZJTMJSA-N -1 0 309.337 1.706 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 ZINC000238057571 202430925 /nfs/dbraw/zinc/43/09/25/202430925.db2.gz WRLINHMANWTOLC-LBPRGKRZSA-N -1 0 315.329 1.188 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000238086209 202438200 /nfs/dbraw/zinc/43/82/00/202438200.db2.gz PIKRXGDFJYFTQP-CYBMUJFWSA-N -1 0 318.308 1.155 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccnn1CCc1ccccc1 ZINC000621534790 364900457 /nfs/dbraw/zinc/90/04/57/364900457.db2.gz OCUSSBDTSXBXSD-LBPRGKRZSA-N -1 0 301.346 1.671 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000006746596 181381746 /nfs/dbraw/zinc/38/17/46/181381746.db2.gz OCSDLMSPYUUVFP-JTQLQIEISA-N -1 0 301.339 1.619 50 0 DDAARM COc1cccc(-c2cc(C(=O)N[C@@H](C)c3nnn[n-]3)[nH]n2)c1 ZINC000091574292 193074714 /nfs/dbraw/zinc/07/47/14/193074714.db2.gz PHAWRGHRMRRELY-QMMMGPOBSA-N -1 0 313.321 1.089 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000088373420 304136024 /nfs/dbraw/zinc/13/60/24/304136024.db2.gz GGVFXBGDJHMIIA-JTQLQIEISA-N -1 0 303.236 1.631 50 0 DDAARM O=C([O-])c1ccc(C(=O)NCCCOC2CCOCC2)cn1 ZINC000262370243 203275431 /nfs/dbraw/zinc/27/54/31/203275431.db2.gz LMJMRRWAWXRSTQ-UHFFFAOYSA-N -1 0 308.334 1.095 50 0 DDAARM C[C@@H](NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262775742 203402455 /nfs/dbraw/zinc/40/24/55/203402455.db2.gz MVEARBROEDHYIF-MRVPVSSYSA-N -1 0 318.285 1.316 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000263086235 203435504 /nfs/dbraw/zinc/43/55/04/203435504.db2.gz ZORCYTUMWCBQFA-QGZVFWFLSA-N -1 0 319.357 1.114 50 0 DDAARM Cn1ccc([N-]S(=O)(=O)c2cccc(Br)c2)n1 ZINC000016978418 182066933 /nfs/dbraw/zinc/06/69/33/182066933.db2.gz YZBZETSJPKTGHB-UHFFFAOYSA-N -1 0 316.180 1.983 50 0 DDAARM O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019685903 182136812 /nfs/dbraw/zinc/13/68/12/182136812.db2.gz GQRRZZQUSCMWEL-SNVBAGLBSA-N -1 0 301.339 1.701 50 0 DDAARM Cn1cc(-c2cc(C(F)F)n3nc(CCC(=O)[O-])nc3n2)cn1 ZINC000020104067 182186862 /nfs/dbraw/zinc/18/68/62/182186862.db2.gz VAJOBSVZHAFTQD-UHFFFAOYSA-N -1 0 322.275 1.480 50 0 DDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)n[nH]1 ZINC000021096284 182265130 /nfs/dbraw/zinc/26/51/30/182265130.db2.gz QYGUKQMFCRCKFQ-UHFFFAOYSA-N -1 0 309.347 1.696 50 0 DDAARM CCOC(=O)c1[n-]nc2c1C(=O)N(c1ccc(F)cc1)C2=O ZINC000101397741 193812805 /nfs/dbraw/zinc/81/28/05/193812805.db2.gz QAECTGAHQSNGTR-UHFFFAOYSA-N -1 0 303.249 1.526 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCCn1cncn1 ZINC000238024632 304206410 /nfs/dbraw/zinc/20/64/10/304206410.db2.gz AJDXWUDBROEWOW-CQSZACIVSA-N -1 0 314.345 1.096 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2 ZINC000042243886 183246598 /nfs/dbraw/zinc/24/65/98/183246598.db2.gz IBFNDWHOBUXISP-UHFFFAOYSA-N -1 0 311.340 1.596 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000268951269 207113564 /nfs/dbraw/zinc/11/35/64/207113564.db2.gz QNJDTLPQIDADOR-KBPBESRZSA-N -1 0 317.320 1.391 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000065406777 184338625 /nfs/dbraw/zinc/33/86/25/184338625.db2.gz DQGPECFPYKSWHI-VIFPVBQESA-N -1 0 305.265 1.309 50 0 DDAARM COc1ccc([C@H](C)C(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000299752696 533148852 /nfs/dbraw/zinc/14/88/52/533148852.db2.gz VBWBPDUYEATCDU-LBPRGKRZSA-N -1 0 321.373 1.891 50 0 DDAARM COC(=O)c1cn([C@H]2CCC[C@@H](C(=O)[O-])C2)cc2c(=O)[nH]nc1-2 ZINC000524735104 257213092 /nfs/dbraw/zinc/21/30/92/257213092.db2.gz VVOMHAGITZOHII-BDAKNGLRSA-N -1 0 319.317 1.691 50 0 DDAARM COC(=O)c1cn([C@H]2CCC[C@H](C(=O)[O-])C2)cc2c(=O)[nH]nc1-2 ZINC000524735106 257213107 /nfs/dbraw/zinc/21/31/07/257213107.db2.gz VVOMHAGITZOHII-IUCAKERBSA-N -1 0 319.317 1.691 50 0 DDAARM Cc1ccccc1OCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000320654443 257241730 /nfs/dbraw/zinc/24/17/30/257241730.db2.gz KQGUOVUYYSUFJZ-ZDUSSCGKSA-N -1 0 317.345 1.299 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1cccc2cccnc21 ZINC000320734408 257241839 /nfs/dbraw/zinc/24/18/39/257241839.db2.gz XZAWBUNKRASXSR-ZDUSSCGKSA-N -1 0 310.313 1.384 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1ccccc1N1CCOCC1 ZINC000299743427 134743841 /nfs/dbraw/zinc/74/38/41/134743841.db2.gz LBEYBMQODKWIKL-UHFFFAOYSA-N -1 0 306.362 1.460 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000000052440 406616509 /nfs/dbraw/zinc/61/65/09/406616509.db2.gz LJKAKWDUZRJNPJ-UHFFFAOYSA-N -1 0 320.374 1.853 50 0 in-vitro DDAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000009834512 406814901 /nfs/dbraw/zinc/81/49/01/406814901.db2.gz LCHBTZUZZRCIGT-UHFFFAOYSA-N -1 0 320.370 1.856 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000071285632 406837882 /nfs/dbraw/zinc/83/78/82/406837882.db2.gz JSTAWEZTCPSBEB-UHFFFAOYSA-N -1 0 314.257 1.408 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCCc2ccccc21)c1ccco1 ZINC000071857640 406854007 /nfs/dbraw/zinc/85/40/07/406854007.db2.gz WWKKEALCOOTPMK-UHFFFAOYSA-N -1 0 306.343 1.707 50 0 DDAARM CCOc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170738 406859720 /nfs/dbraw/zinc/85/97/20/406859720.db2.gz WMGGURKWFMHSOP-GFCCVEGCSA-N -1 0 307.346 1.787 50 0 DDAARM O=C([O-])Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1 ZINC000013405888 406861333 /nfs/dbraw/zinc/86/13/33/406861333.db2.gz QFJPRPFDPLCSGS-UHFFFAOYSA-N -1 0 306.299 1.751 50 0 DDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000075125352 406922654 /nfs/dbraw/zinc/92/26/54/406922654.db2.gz QDQBSVFOWJJNKP-GFCCVEGCSA-N -1 0 304.350 1.494 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000036623942 406981631 /nfs/dbraw/zinc/98/16/31/406981631.db2.gz YXBZNKKSXVLCOU-STQMWFEESA-N -1 0 307.394 1.886 50 0 DDAARM COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]C(=O)C(F)(F)F ZINC000032167745 406945982 /nfs/dbraw/zinc/94/59/82/406945982.db2.gz FRCDVDBVNOWDDM-LLVKDONJSA-N -1 0 314.263 1.931 50 0 DDAARM C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000036722487 406983254 /nfs/dbraw/zinc/98/32/54/406983254.db2.gz KIJHCCWQWZTUBS-GFCCVEGCSA-N -1 0 300.673 1.331 50 0 DDAARM Cc1ccc(C)c(OCC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c1C ZINC000055042362 407191898 /nfs/dbraw/zinc/19/18/98/407191898.db2.gz GLHJWALBHSJIRY-OLZOCXBDSA-N -1 0 307.346 1.037 50 0 DDAARM CC(C)(C)[C@H](NC(=O)CCNC(=O)Nc1ccccc1)C(=O)[O-] ZINC000089621422 407142457 /nfs/dbraw/zinc/14/24/57/407142457.db2.gz BLDVHSHGOOQABE-CYBMUJFWSA-N -1 0 321.377 1.814 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cn1 ZINC000089761570 407147052 /nfs/dbraw/zinc/14/70/52/407147052.db2.gz LAAAARFEDULKLZ-UHFFFAOYSA-N -1 0 301.397 1.370 50 0 DDAARM COc1cccc([C@H](C(=O)[O-])N(C)Cc2nc(C)c[nH]2)c1OC ZINC000095369930 407210216 /nfs/dbraw/zinc/21/02/16/407210216.db2.gz DSIMTSOWKMLXFE-CQSZACIVSA-N -1 0 319.361 1.993 50 0 DDAARM Cn1c(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])nc2ccccc21 ZINC000095507919 407214636 /nfs/dbraw/zinc/21/46/36/407214636.db2.gz FICNDGTUJSFIKX-CQSZACIVSA-N -1 0 311.345 1.308 50 0 DDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000095991918 407221713 /nfs/dbraw/zinc/22/17/13/407221713.db2.gz HIIRNFZLSNIQAO-ZJUUUORDSA-N -1 0 307.394 1.852 50 0 DDAARM C[C@H]1COCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000065493218 407244038 /nfs/dbraw/zinc/24/40/38/407244038.db2.gz CJDTVXNAIYUDBM-QMMMGPOBSA-N -1 0 305.359 1.073 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC000122980013 407315892 /nfs/dbraw/zinc/31/58/92/407315892.db2.gz MROHATKKSRAKIN-WDEREUQCSA-N -1 0 321.283 1.988 50 0 DDAARM CC[C@H](C)Oc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000102171513 407320837 /nfs/dbraw/zinc/32/08/37/407320837.db2.gz FLJWLKKWDHAGSC-CABZTGNLSA-N -1 0 315.333 1.834 50 0 DDAARM Cc1ccc([C@@H](NC(=O)Cc2n[nH]c(=O)[n-]2)c2ccncc2)cc1 ZINC000067841942 407286523 /nfs/dbraw/zinc/28/65/23/407286523.db2.gz MVZFGWAIAFKOQF-MRXNPFEDSA-N -1 0 323.356 1.250 50 0 DDAARM CCOC(=O)CCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000100133883 407307328 /nfs/dbraw/zinc/30/73/28/407307328.db2.gz FJHYJUUKBRWVNQ-UHFFFAOYSA-N -1 0 304.350 1.789 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)C[C@H]2CCOc3ccccc32)n1 ZINC000122722319 407309042 /nfs/dbraw/zinc/30/90/42/407309042.db2.gz WXLALJUYQWPYTD-LLVKDONJSA-N -1 0 315.329 1.863 50 0 DDAARM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1Cl)c1nnn[n-]1 ZINC000124499795 407359942 /nfs/dbraw/zinc/35/99/42/407359942.db2.gz XGYKNWUGBXCSSD-MRVPVSSYSA-N -1 0 311.748 1.797 50 0 DDAARM O=c1nc(CN(CCO)Cc2nccs2)[n-]c2ccsc21 ZINC000253537115 407455925 /nfs/dbraw/zinc/45/59/25/407455925.db2.gz YDHYSTLABPTMNT-UHFFFAOYSA-N -1 0 322.415 1.848 50 0 DDAARM CN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000170620006 407458279 /nfs/dbraw/zinc/45/82/79/407458279.db2.gz ZQDCYTOUCMEMLY-SNVBAGLBSA-N -1 0 319.386 1.463 50 0 DDAARM O=C([N-]S(=O)(=O)CC1CC1)c1ccccc1-c1cncnc1 ZINC000170638305 407460509 /nfs/dbraw/zinc/46/05/09/407460509.db2.gz YWSQSDUJMFSDTM-UHFFFAOYSA-N -1 0 317.370 1.613 50 0 DDAARM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@@H]2CCC[C@H]21 ZINC000230259595 407685188 /nfs/dbraw/zinc/68/51/88/407685188.db2.gz YIIBAHXXEBVHIN-UKRRQHHQSA-N -1 0 300.362 1.726 50 0 DDAARM COc1cc(C(=O)N2CC[NH+](CCCC(=O)[O-])CC2)ccc1C ZINC000116358794 407746110 /nfs/dbraw/zinc/74/61/10/407746110.db2.gz UREJRAZCTZYTLO-UHFFFAOYSA-N -1 0 320.389 1.626 50 0 DDAARM CC(=O)N(CCC(=O)N1CC[C@@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000236717915 407759013 /nfs/dbraw/zinc/75/90/13/407759013.db2.gz NHOBDGCRTQAAMX-OAHLLOKOSA-N -1 0 318.373 1.358 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000238069346 407884546 /nfs/dbraw/zinc/88/45/46/407884546.db2.gz RFQLJJDEEOFEFN-AWEZNQCLSA-N -1 0 317.320 1.630 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC000238081540 407886588 /nfs/dbraw/zinc/88/65/88/407886588.db2.gz WIZJEHGQLQYBQX-GFCCVEGCSA-N -1 0 316.313 1.179 50 0 DDAARM CNC(=O)c1cccc(CCC(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000262871246 407957530 /nfs/dbraw/zinc/95/75/30/407957530.db2.gz FTSWYUPZXUQMBU-NSHDSACASA-N -1 0 306.362 1.206 50 0 DDAARM CCOc1ccc(N([C@H](CC)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000242687509 407915590 /nfs/dbraw/zinc/91/55/90/407915590.db2.gz UKLCNAWXAVOVTA-GFCCVEGCSA-N -1 0 301.364 1.715 50 0 DDAARM COc1ccc([C@H](NC(=O)[C@H]2CCCOC2)C(=O)[O-])cc1F ZINC000263177396 408047425 /nfs/dbraw/zinc/04/74/25/408047425.db2.gz WSCOXBKELZODEU-GWCFXTLKSA-N -1 0 311.309 1.503 50 0 DDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(C3CC3)no2)cn1 ZINC000263509032 408158564 /nfs/dbraw/zinc/15/85/64/408158564.db2.gz BWCPYHRMNTYLRQ-UHFFFAOYSA-N -1 0 304.306 1.821 50 0 DDAARM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2c([O-])cccc2F)C1 ZINC000122201899 408265024 /nfs/dbraw/zinc/26/50/24/408265024.db2.gz OLFWWJWVOSBZMF-NSHDSACASA-N -1 0 308.353 1.908 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000191566023 408447356 /nfs/dbraw/zinc/44/73/56/408447356.db2.gz UGWXXQIIBBNCHE-UWVGGRQHSA-N -1 0 322.748 1.891 50 0 DDAARM O=C(Nc1[n-]c(=O)ncc1F)c1coc(-c2ccccc2)n1 ZINC000170088492 408820305 /nfs/dbraw/zinc/82/03/05/408820305.db2.gz GPYWWRWYBHGYDC-UHFFFAOYSA-N -1 0 300.249 1.816 50 0 DDAARM NC(=O)Nc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262462748 163832733 /nfs/dbraw/zinc/83/27/33/163832733.db2.gz QXZOYXRABGETBO-GFCCVEGCSA-N -1 0 317.345 1.504 50 0 DDAARM Cc1nc(-c2ncccn2)sc1C(=O)NCCCC(=O)[O-] ZINC000133076414 196309954 /nfs/dbraw/zinc/30/99/54/196309954.db2.gz SSYLNHSGFVBXQY-UHFFFAOYSA-N -1 0 306.347 1.503 50 0 DDAARM Cc1ccc(CCC(=O)Nc2ncn(CC(=O)[O-])n2)c(C)c1 ZINC000647782428 423047147 /nfs/dbraw/zinc/04/71/47/423047147.db2.gz MGDKGECRBPNBEH-UHFFFAOYSA-N -1 0 302.334 1.551 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000136478820 196538038 /nfs/dbraw/zinc/53/80/38/196538038.db2.gz QDAPNGOTABSXLO-LLVKDONJSA-N -1 0 319.317 1.728 50 0 DDAARM CO[N-]C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 ZINC000048346036 418470433 /nfs/dbraw/zinc/47/04/33/418470433.db2.gz IPIGINOCNJXXRM-YFKPBYRVSA-N -1 0 307.169 1.307 50 0 DDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000261832021 222259142 /nfs/dbraw/zinc/25/91/42/222259142.db2.gz BSKHNYKVGKEFKW-NSHDSACASA-N -1 0 302.334 1.817 50 0 DDAARM Cc1cc(C)c(S(=O)(=O)N(CC(=O)[O-])CC2CC2)s1 ZINC000389126443 418748735 /nfs/dbraw/zinc/74/87/35/418748735.db2.gz OOIYVTFUWCCZAV-UHFFFAOYSA-N -1 0 303.405 1.850 50 0 DDAARM Cc1ccc(CC(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC000408513309 418805867 /nfs/dbraw/zinc/80/58/67/418805867.db2.gz OHWDQZABYXDABE-UHFFFAOYSA-N -1 0 306.362 1.415 50 0 DDAARM COc1cccc2c(C)c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)oc21 ZINC000408513481 418806352 /nfs/dbraw/zinc/80/63/52/418806352.db2.gz YMQJMWPOVUPAHL-GFCCVEGCSA-N -1 0 319.313 1.675 50 0 DDAARM CC1=CCN(C(=O)c2cn(C(C)C)cc(C(=O)[O-])c2=O)CC1 ZINC000426443217 419470967 /nfs/dbraw/zinc/47/09/67/419470967.db2.gz IYBDDTGUOQZCJI-UHFFFAOYSA-N -1 0 304.346 1.920 50 0 DDAARM CCC1(C(=O)[O-])CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 ZINC000426445673 419472482 /nfs/dbraw/zinc/47/24/82/419472482.db2.gz SVKCUUYGSNNSGN-UHFFFAOYSA-N -1 0 306.362 1.411 50 0 DDAARM Cc1ccc([C@]2(C(=O)NCCCc3nnn[n-]3)CC2(C)C)cc1 ZINC000426544452 419502040 /nfs/dbraw/zinc/50/20/40/419502040.db2.gz RJTGBCHSANINMO-KRWDZBQOSA-N -1 0 313.405 1.925 50 0 DDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3nc4cc(Cl)ccc4[nH]3)C[C@@H]21 ZINC000426602392 419516969 /nfs/dbraw/zinc/51/69/69/419516969.db2.gz HEXFYGWLXMYMFE-QRJZZWFUSA-N -1 0 319.748 1.548 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CCO1 ZINC000299753048 229398280 /nfs/dbraw/zinc/39/82/80/229398280.db2.gz WQPCANWZHGRLHF-SMDDNHRTSA-N -1 0 305.330 1.255 50 0 DDAARM O=C(N=c1ccc(C2CC2)n[n-]1)NCCO[C@@H]1CCCCO1 ZINC000585119549 422307844 /nfs/dbraw/zinc/30/78/44/422307844.db2.gz KOSFISPSQOXQBS-CQSZACIVSA-N -1 0 306.366 1.441 50 0 DDAARM NC(=O)[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000606441743 422460184 /nfs/dbraw/zinc/46/01/84/422460184.db2.gz FABIEEJNOSXCNV-DMTLFAOVSA-N -1 0 302.330 1.122 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000640879506 423252024 /nfs/dbraw/zinc/25/20/24/423252024.db2.gz REIGAQKXPHBVHG-GFCCVEGCSA-N -1 0 313.313 1.688 50 0 DDAARM CC(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000002872935 278185309 /nfs/dbraw/zinc/18/53/09/278185309.db2.gz OCEUVPIRQLSTRN-UHFFFAOYSA-N -1 0 305.071 1.948 50 0 DDAARM C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)[O-] ZINC000012946205 300867813 /nfs/dbraw/zinc/86/78/13/300867813.db2.gz CDGSPWQKWAKHGJ-MRXNPFEDSA-N -1 0 302.330 1.850 50 0 DDAARM Cc1cc(C)n(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000237655800 301238057 /nfs/dbraw/zinc/23/80/57/301238057.db2.gz ATZYQCCWVOCOHB-OAHLLOKOSA-N -1 0 313.357 1.538 50 0 DDAARM Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(=O)[nH]1 ZINC000237620352 301522975 /nfs/dbraw/zinc/52/29/75/301522975.db2.gz FULMVFALCAPEAG-AWEZNQCLSA-N -1 0 312.325 1.335 50 0 DDAARM Cn1cc(CCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000110568591 302911164 /nfs/dbraw/zinc/91/11/64/302911164.db2.gz JCSPFTKWVWFTFV-RDBSUJKOSA-N -1 0 305.378 1.597 50 0 DDAARM CCc1nc(S(=O)(=O)N[C@@H](COC)c2ccccn2)c[nH]1 ZINC000534578157 334288256 /nfs/dbraw/zinc/28/82/56/334288256.db2.gz XDZJBHNARHSDRZ-NSHDSACASA-N -1 0 310.379 1.033 50 0 DDAARM Cc1noc(C2CCN(C(=O)[C@]3(C(=O)[O-])CC3(C)C)CC2)n1 ZINC000585095638 483921704 /nfs/dbraw/zinc/92/17/04/483921704.db2.gz PODFFPODRUYTLE-HNNXBMFYSA-N -1 0 307.350 1.585 50 0 DDAARM Cc1noc(C2CCN(C(=O)[C@@]3(C(=O)[O-])CC3(C)C)CC2)n1 ZINC000585095639 483922031 /nfs/dbraw/zinc/92/20/31/483922031.db2.gz PODFFPODRUYTLE-OAHLLOKOSA-N -1 0 307.350 1.585 50 0 DDAARM Cc1nn(C(C)C)c(C)c1NC(=O)c1nccnc1C(=O)[O-] ZINC000085475695 484003199 /nfs/dbraw/zinc/00/31/99/484003199.db2.gz HIZPWAOASXMBNN-UHFFFAOYSA-N -1 0 303.322 1.821 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000299752783 534526552 /nfs/dbraw/zinc/52/65/52/534526552.db2.gz VJLMNTGIWLTSNI-XQQFMLRXSA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])C1(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000154895786 527552124 /nfs/dbraw/zinc/55/21/24/527552124.db2.gz GGBUMXIFLZCSMN-LBPRGKRZSA-N -1 0 302.330 1.163 50 0 DDAARM CC(C)N1C[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CC1=O ZINC000299740640 529098401 /nfs/dbraw/zinc/09/84/01/529098401.db2.gz AWBGFSSHWAWSHG-CQSZACIVSA-N -1 0 318.373 1.300 50 0 DDAARM O=C([O-])c1cnc(NC[C@@H]2CCCO2)nc1-c1cccnc1 ZINC000169751170 697343807 /nfs/dbraw/zinc/34/38/07/697343807.db2.gz HHDCGHSVPDNKKR-NSHDSACASA-N -1 0 300.318 1.828 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)c(F)c1 ZINC000887557520 709070686 /nfs/dbraw/zinc/07/06/86/709070686.db2.gz ROSGKRDURXDNTC-GFCCVEGCSA-N -1 0 306.337 1.834 50 0 DDAARM Cc1c(S(=O)(=O)[N-]c2cc(C(C)(C)F)on2)cnn1C ZINC000952994968 721534677 /nfs/dbraw/zinc/53/46/77/721534677.db2.gz YHZLRSZKEIJQHS-UHFFFAOYSA-N -1 0 302.331 1.722 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnccn2)C1 ZINC000219586729 771933670 /nfs/dbraw/zinc/93/36/70/771933670.db2.gz GFUKAYPBLVFLAN-HNNXBMFYSA-N -1 0 307.350 1.210 50 0 DDAARM CNC(=O)c1cccnc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000585129376 771961150 /nfs/dbraw/zinc/96/11/50/771961150.db2.gz HOVZSFSOFHSVIX-UHFFFAOYSA-N -1 0 323.378 1.019 50 0 DDAARM NC(=O)C1(CN=c2[n-]nc(-c3ccon3)s2)CCOCC1 ZINC000328801171 231350806 /nfs/dbraw/zinc/35/08/06/231350806.db2.gz IZAXVCWXKAOMEN-UHFFFAOYSA-N -1 0 309.351 1.359 50 0 DDAARM Cc1noc([C@]23CCC[C@H]2CN(C(=O)c2cc(=O)n(C)[n-]2)C3)n1 ZINC000685942709 539566879 /nfs/dbraw/zinc/56/68/79/539566879.db2.gz MRMQDORQIYJEQP-BONVTDFDSA-N -1 0 317.349 1.011 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000138149376 186014157 /nfs/dbraw/zinc/01/41/57/186014157.db2.gz SUANKDBWGLYFFB-UHFFFAOYSA-N -1 0 304.346 1.754 50 0 DDAARM Fc1ccccc1-c1cc(NCc2nnn[n-]2)n2nccc2n1 ZINC000072148315 191054340 /nfs/dbraw/zinc/05/43/40/191054340.db2.gz KUDZXPCRFUHIPR-UHFFFAOYSA-N -1 0 310.296 1.661 50 0 DDAARM C[C@@H](NC(=O)C1(c2ccccc2Cl)CCOCC1)C(=O)[O-] ZINC000237510178 186299592 /nfs/dbraw/zinc/29/95/92/186299592.db2.gz NRXOJFGGTSBSKP-SNVBAGLBSA-N -1 0 311.765 1.978 50 0 DDAARM COc1cc(C)ccc1OCc1nnc(SCC(=O)[O-])n1C ZINC000072328097 191122612 /nfs/dbraw/zinc/12/26/12/191122612.db2.gz CIRIOFFFCZUWEK-UHFFFAOYSA-N -1 0 323.374 1.888 50 0 DDAARM COC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000000132874 290923912 /nfs/dbraw/zinc/92/39/12/290923912.db2.gz SZALUCGSTRXUKW-GFCCVEGCSA-N -1 0 314.301 1.438 50 0 DDAARM COCCOCC(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072409902 191153459 /nfs/dbraw/zinc/15/34/59/191153459.db2.gz PMYMUNRYGKZEGC-AWEZNQCLSA-N -1 0 321.373 1.439 50 0 DDAARM C[C@H](c1ccncc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000002553863 352110869 /nfs/dbraw/zinc/11/08/69/352110869.db2.gz IZTDDJXWSQKAAY-BVEFZAQCSA-N -1 0 300.314 1.009 50 0 DDAARM O=C([O-])CN1C(=O)[C@H](Oc2ccccc2)[C@@H]1c1ccccc1O ZINC000075272607 353357155 /nfs/dbraw/zinc/35/71/55/353357155.db2.gz XCUTXZYWXRZWSL-JKSUJKDBSA-N -1 0 313.309 1.808 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000075093033 353346453 /nfs/dbraw/zinc/34/64/53/353346453.db2.gz KJPWGRDYADKFJL-QWHCGFSZSA-N -1 0 300.362 1.259 50 0 DDAARM COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c(OC)c1 ZINC000004175154 181081922 /nfs/dbraw/zinc/08/19/22/181081922.db2.gz YJFRWKBHTHRBMP-WVWOOGAGSA-N -1 0 319.313 1.297 50 0 DDAARM CSCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000004301946 181094168 /nfs/dbraw/zinc/09/41/68/181094168.db2.gz OLZMFHFHYJXQLF-NSHDSACASA-N -1 0 300.355 1.831 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]C(=O)c2cccnc2)c2ccccc21 ZINC000158499238 354230188 /nfs/dbraw/zinc/23/01/88/354230188.db2.gz DXYNYXQBDLVITI-UHFFFAOYSA-N -1 0 315.354 1.692 50 0 DDAARM COc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000004318864 181096985 /nfs/dbraw/zinc/09/69/85/181096985.db2.gz GOJFKLRGAUBORJ-CQSZACIVSA-N -1 0 318.329 1.860 50 0 DDAARM Cc1ccc(C)c(CS(=O)(=O)[N-]C(=O)c2cccnc2)c1 ZINC000195580521 354298776 /nfs/dbraw/zinc/29/87/76/354298776.db2.gz KGFOSLBIZJQWBT-UHFFFAOYSA-N -1 0 304.371 1.958 50 0 DDAARM COc1cc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C)cc(OC)c1OC ZINC000387121259 354633147 /nfs/dbraw/zinc/63/31/47/354633147.db2.gz ZAMKPCSFAJVUMD-RNCFNFMXSA-N -1 0 309.318 1.316 50 0 DDAARM CCCc1noc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000236946202 202085650 /nfs/dbraw/zinc/08/56/50/202085650.db2.gz AYNMPLCBEBFQAI-LLVKDONJSA-N -1 0 309.366 1.668 50 0 DDAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)CCc1ccncc1 ZINC000237221833 202194570 /nfs/dbraw/zinc/19/45/70/202194570.db2.gz GHHWLHIPVCQGHO-UHFFFAOYSA-N -1 0 324.358 1.544 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)CN1CCCCCC1=O)c1ccccc1 ZINC000072277358 304073819 /nfs/dbraw/zinc/07/38/19/304073819.db2.gz KJKPORNFIPXZBL-CQSZACIVSA-N -1 0 318.373 1.721 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000237661241 202321615 /nfs/dbraw/zinc/32/16/15/202321615.db2.gz WYWRAMHWXNLETE-CQSZACIVSA-N -1 0 320.374 1.325 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)nn2)cc1 ZINC000237829550 202364350 /nfs/dbraw/zinc/36/43/50/202364350.db2.gz ZSUBWXDPXBWNHZ-NSHDSACASA-N -1 0 300.318 1.122 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000238102557 202441278 /nfs/dbraw/zinc/44/12/78/202441278.db2.gz URDDNSXTQWCBFJ-NSHDSACASA-N -1 0 318.308 1.012 50 0 DDAARM CC(=O)c1cccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)c1 ZINC000006678625 181369460 /nfs/dbraw/zinc/36/94/60/181369460.db2.gz DGMBOWLRNRIYJN-UHFFFAOYSA-N -1 0 324.383 1.850 50 0 DDAARM Cc1nnc(CCC(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)[nH]1 ZINC000091460187 193059398 /nfs/dbraw/zinc/05/93/98/193059398.db2.gz NZTYYPCNKBLQMZ-MRXNPFEDSA-N -1 0 320.393 1.539 50 0 DDAARM CC(C)[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000091364862 193045982 /nfs/dbraw/zinc/04/59/82/193045982.db2.gz DBMAMQHZQBCXRL-UONOGXRCSA-N -1 0 311.403 1.805 50 0 DDAARM CCC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000091435134 193055004 /nfs/dbraw/zinc/05/50/04/193055004.db2.gz IDIHXTCPNLMPPK-CHWSQXEVSA-N -1 0 319.357 1.917 50 0 DDAARM C[C@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)c1nnn[n-]1 ZINC000091644537 193083784 /nfs/dbraw/zinc/08/37/84/193083784.db2.gz IYAGYMYRDGQUAY-ZETCQYMHSA-N -1 0 301.285 1.220 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000299750388 304135500 /nfs/dbraw/zinc/13/55/00/304135500.db2.gz NIFFXXVCXRIMMD-GVXVVHGQSA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])[C@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1 ZINC000261644662 203087606 /nfs/dbraw/zinc/08/76/06/203087606.db2.gz GXBTYASZEDKJQL-CYBMUJFWSA-N -1 0 313.375 1.158 50 0 DDAARM Cc1cc2ccccc2n1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262306883 203256413 /nfs/dbraw/zinc/25/64/13/203256413.db2.gz PETYHVLHOHLGEI-CQSZACIVSA-N -1 0 302.330 1.262 50 0 DDAARM CCOc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CC1=O ZINC000262408558 203286617 /nfs/dbraw/zinc/28/66/17/203286617.db2.gz BYJUXTHWCQBVNS-QWRGUYRKSA-N -1 0 320.345 1.028 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000262398495 203283922 /nfs/dbraw/zinc/28/39/22/203283922.db2.gz GZNSVJVPIQLALV-OCCSQVGLSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000262657149 203369656 /nfs/dbraw/zinc/36/96/56/203369656.db2.gz SUBQBFIMDGPMCM-NSHDSACASA-N -1 0 305.334 1.131 50 0 DDAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)cc1 ZINC000015756116 182014854 /nfs/dbraw/zinc/01/48/54/182014854.db2.gz MGTFKCWXDBGCJL-UHFFFAOYSA-N -1 0 321.358 1.251 50 0 DDAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000017031705 182069965 /nfs/dbraw/zinc/06/99/65/182069965.db2.gz RCLOHJMARLODMD-GFCCVEGCSA-N -1 0 308.353 1.975 50 0 DDAARM CC(=O)N(C)c1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020614751 182239281 /nfs/dbraw/zinc/23/92/81/182239281.db2.gz XHPSCSGXBFRDPS-UHFFFAOYSA-N -1 0 316.317 1.353 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)C1 ZINC000261871460 304191886 /nfs/dbraw/zinc/19/18/86/304191886.db2.gz QUIKFPWIHDVQRW-JTQLQIEISA-N -1 0 320.370 1.668 50 0 DDAARM CCOc1ccc(-c2cc3c(=O)n(CC(=O)[O-])ncn3n2)cc1 ZINC000040478805 183076054 /nfs/dbraw/zinc/07/60/54/183076054.db2.gz WNFBRXDIERRCAZ-UHFFFAOYSA-N -1 0 314.301 1.041 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1ccc(F)c(C)c1)C(=O)[O-] ZINC000041091244 183163832 /nfs/dbraw/zinc/16/38/32/183163832.db2.gz CFNFBTSEGBUPDR-NSHDSACASA-N -1 0 321.395 1.619 50 0 DDAARM CCOc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1 ZINC000041670316 183214536 /nfs/dbraw/zinc/21/45/36/183214536.db2.gz SXXRIYOSOZWFJI-UHFFFAOYSA-N -1 0 316.313 1.584 50 0 DDAARM CCN(CC(=O)[O-])C(=O)Cc1cccc(Br)c1 ZINC000050040062 183769063 /nfs/dbraw/zinc/76/90/63/183769063.db2.gz RRCIVFDMPYDZNK-UHFFFAOYSA-N -1 0 300.152 1.925 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)cs1 ZINC000070157749 304227041 /nfs/dbraw/zinc/22/70/41/304227041.db2.gz FGADPOZVRVHMJM-VHSXEESVSA-N -1 0 317.388 1.388 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268922611 207089001 /nfs/dbraw/zinc/08/90/01/207089001.db2.gz TYDGBVIAFDZDDL-ZIAGYGMSSA-N -1 0 313.357 1.826 50 0 DDAARM Cc1c(CC(=O)N(CC(=O)[O-])C2CC2)nnn1-c1ccccc1 ZINC000268947061 207111706 /nfs/dbraw/zinc/11/17/06/207111706.db2.gz NHYYHSFHMBZFCA-UHFFFAOYSA-N -1 0 314.345 1.194 50 0 DDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])nn1-c1ccccc1 ZINC000268978487 207140098 /nfs/dbraw/zinc/14/00/98/207140098.db2.gz LTCZVBDMVJGWME-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM CCCCC(=O)Nc1ccc(C(=O)N[C@@H](C)c2nnn[n-]2)cc1 ZINC000065419445 184341333 /nfs/dbraw/zinc/34/13/33/184341333.db2.gz QPRBWMODAIKUBD-JTQLQIEISA-N -1 0 316.365 1.819 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000269218937 207337758 /nfs/dbraw/zinc/33/77/58/207337758.db2.gz ZNJVNLUJIMLCNT-CQSZACIVSA-N -1 0 313.357 1.738 50 0 DDAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccc(F)cc3F)c2n1 ZINC000067225482 184455257 /nfs/dbraw/zinc/45/52/57/184455257.db2.gz DEXNKDFJKOZVPK-UHFFFAOYSA-N -1 0 304.256 1.862 50 0 DDAARM COc1cc(/C=C/C(=O)N(C)CC(=O)[O-])cc2c1OCCO2 ZINC000328592782 533461088 /nfs/dbraw/zinc/46/10/88/533461088.db2.gz IQEXRHLIRGKOQX-ONEGZZNKSA-N -1 0 307.302 1.023 50 0 DDAARM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1 ZINC000568398393 304291757 /nfs/dbraw/zinc/29/17/57/304291757.db2.gz XAAROMJOGXAYNQ-NWDGAFQWSA-N -1 0 304.350 1.496 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cc(C)nn2C)(C(=O)[O-])C1(C)C ZINC000193042780 286309424 /nfs/dbraw/zinc/30/94/24/286309424.db2.gz PKTFFSYPVFFFNM-IAQYHMDHSA-N -1 0 309.366 1.117 50 0 DDAARM Cc1cccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)[n-]c2=O)c1C ZINC000000115617 406624464 /nfs/dbraw/zinc/62/44/64/406624464.db2.gz UYFMIYUUOBSTIK-SECBINFHSA-N -1 0 320.374 1.194 50 0 DDAARM CC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000000186572 406628357 /nfs/dbraw/zinc/62/83/57/406628357.db2.gz OVCLKPWJYGPZOR-VIFPVBQESA-N -1 0 322.180 1.591 50 0 DDAARM O=C1NC(=O)/C(=C\c2cc(Cl)c([O-])c(Br)c2)N1 ZINC000000565617 406655217 /nfs/dbraw/zinc/65/52/17/406655217.db2.gz MLPCTRDKTGOBML-XVNBXDOJSA-N -1 0 317.526 1.988 50 0 DDAARM O=C([O-])[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000001706107 406675971 /nfs/dbraw/zinc/67/59/71/406675971.db2.gz BRJYOLARVAXBNQ-CYBMUJFWSA-N -1 0 313.309 1.841 50 0 DDAARM COC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nc1C ZINC000006921839 406745276 /nfs/dbraw/zinc/74/52/76/406745276.db2.gz IPDBDJNTIAJKRW-DTWKUNHWSA-N -1 0 324.358 1.844 50 0 DDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000003001579 406708372 /nfs/dbraw/zinc/70/83/72/406708372.db2.gz XJYDCXKKCZHEEP-BAAYTWLHSA-N -1 0 318.373 1.779 50 0 DDAARM O=C([O-])c1ccc(F)c(S(=O)(=O)NCc2cccnc2)c1 ZINC000008030004 406774627 /nfs/dbraw/zinc/77/46/27/406774627.db2.gz ZQOHNAZSGUOVTM-UHFFFAOYSA-N -1 0 310.306 1.397 50 0 DDAARM O=C([N-]CCn1nc(-c2ccco2)ccc1=O)C(F)(F)F ZINC000008954591 406800986 /nfs/dbraw/zinc/80/09/86/406800986.db2.gz RWRQCWDRQIXKMV-UHFFFAOYSA-N -1 0 301.224 1.182 50 0 DDAARM CCC1C(=O)N=C(SCC(=O)NC2CCCCC2)N=C1[O-] ZINC000010059430 406819842 /nfs/dbraw/zinc/81/98/42/406819842.db2.gz ZOXUNEZTBGSDQR-UHFFFAOYSA-N -1 0 311.407 1.579 50 0 DDAARM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1ccco1 ZINC000010251324 406821612 /nfs/dbraw/zinc/82/16/12/406821612.db2.gz HNRKAVGRRGTAKG-UHFFFAOYSA-N -1 0 321.296 1.559 50 0 DDAARM COc1ccc(NC(=O)c2nnc(CCC(=O)[O-])s2)cc1 ZINC000034927219 406965707 /nfs/dbraw/zinc/96/57/07/406965707.db2.gz FJHAGTCXQAQHGQ-UHFFFAOYSA-N -1 0 307.331 1.816 50 0 DDAARM COc1ccc(-c2nc(CC(=O)NCCC(=O)[O-])cs2)cc1 ZINC000032094667 406945954 /nfs/dbraw/zinc/94/59/54/406945954.db2.gz HSVRTXMQAHDLTH-UHFFFAOYSA-N -1 0 320.370 1.952 50 0 DDAARM O=C([O-])CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000038342281 407000203 /nfs/dbraw/zinc/00/02/03/407000203.db2.gz PGTLAEWYSFMXAF-INIZCTEOSA-N -1 0 324.336 1.585 50 0 DDAARM CCc1nncn1CCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000089296468 407129191 /nfs/dbraw/zinc/12/91/91/407129191.db2.gz HVRORAUACDHVLI-UHFFFAOYSA-N -1 0 312.732 1.769 50 0 DDAARM CSc1ccc([C@@H](C(=O)[O-])N2CCN(C(C)=O)CC2)cc1 ZINC000095355406 407208326 /nfs/dbraw/zinc/20/83/26/407208326.db2.gz NKSQIWYZSTZZKR-AWEZNQCLSA-N -1 0 308.403 1.698 50 0 DDAARM Cc1nn(C)c(C)c1[C@H](CC(=O)[O-])c1c(O)cc(C)[nH]c1=O ZINC000095476910 407214040 /nfs/dbraw/zinc/21/40/40/407214040.db2.gz IEHOQDZMWAVJRZ-JTQLQIEISA-N -1 0 305.334 1.346 50 0 DDAARM Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000095960555 407217749 /nfs/dbraw/zinc/21/77/49/407217749.db2.gz MUIVIHXZXVPNHW-JTQLQIEISA-N -1 0 315.320 1.761 50 0 DDAARM CC(C)Oc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000101675756 407314127 /nfs/dbraw/zinc/31/41/27/407314127.db2.gz VOWIGAMCWCSRNN-LBPRGKRZSA-N -1 0 301.306 1.444 50 0 DDAARM Cn1cc(CCCNC(=O)/C=C/c2ccc(C(=O)[O-])cc2)cn1 ZINC000096479772 407270462 /nfs/dbraw/zinc/27/04/62/407270462.db2.gz WMFRJXWDBPMDBX-RMKNXTFCSA-N -1 0 313.357 1.881 50 0 DDAARM CNC(=O)[C@@H](CC(C)C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000097112458 407281125 /nfs/dbraw/zinc/28/11/25/407281125.db2.gz UMBVELNHAURSJM-SECBINFHSA-N -1 0 318.295 1.700 50 0 DDAARM COC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C1CC1 ZINC000124479757 407359604 /nfs/dbraw/zinc/35/96/04/407359604.db2.gz WRRLDYVBPGTBMV-LBPRGKRZSA-N -1 0 319.386 1.367 50 0 DDAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)NC(C)(C)C)N=C1[O-] ZINC000013453830 286813620 /nfs/dbraw/zinc/81/36/20/286813620.db2.gz KJIXSZSGJVDEFB-MRVPVSSYSA-N -1 0 313.423 1.996 50 0 DDAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C1CCC1 ZINC000170641071 407459842 /nfs/dbraw/zinc/45/98/42/407459842.db2.gz ANVLTWSUNHCKOJ-UHFFFAOYSA-N -1 0 303.387 1.847 50 0 DDAARM COc1ccccc1/C(C)=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000221920615 407551196 /nfs/dbraw/zinc/55/11/96/407551196.db2.gz SWDNJRUGYYJFMQ-KIWPFMIBSA-N -1 0 319.357 1.801 50 0 DDAARM COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccoc1Cl ZINC000225789307 407607152 /nfs/dbraw/zinc/60/71/52/407607152.db2.gz BOLDGOANGCOWSL-NKWVEPMBSA-N -1 0 323.754 1.190 50 0 DDAARM CN(C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1)c1ccc(F)cc1 ZINC000225828770 407608685 /nfs/dbraw/zinc/60/86/85/407608685.db2.gz XVNOCERTJCTNKD-JTQLQIEISA-N -1 0 320.324 1.938 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000261814482 407626971 /nfs/dbraw/zinc/62/69/71/407626971.db2.gz MVDCPRKJQFRKPS-CYBMUJFWSA-N -1 0 314.345 1.263 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccccn1)c1cccc2c[nH]nc21 ZINC000225526472 407592350 /nfs/dbraw/zinc/59/23/50/407592350.db2.gz LTQVQMGQNFCRPT-UHFFFAOYSA-N -1 0 316.342 1.218 50 0 DDAARM COCCOC1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000262358649 407810885 /nfs/dbraw/zinc/81/08/85/407810885.db2.gz CQMSPFGVZSQWPY-UHFFFAOYSA-N -1 0 313.375 1.714 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCC1 ZINC000237957929 407853601 /nfs/dbraw/zinc/85/36/01/407853601.db2.gz YQWHTHUUXIUIBD-CYBMUJFWSA-N -1 0 316.357 1.159 50 0 DDAARM Cc1cccc([C@H](C)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262814185 407945325 /nfs/dbraw/zinc/94/53/25/407945325.db2.gz GFBZKWOXSKWTLE-HOCLYGCPSA-N -1 0 306.406 1.773 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](C(=O)[O-])[C@H]3CC2)cc1 ZINC000242688545 407915374 /nfs/dbraw/zinc/91/53/74/407915374.db2.gz VSEWERIUTZRMAU-WDNDVIMCSA-N -1 0 309.387 1.726 50 0 DDAARM Nc1ccc(S[C@@H]2[C@H]3C[C@@H]4[C@@H](C(=O)O[C@@H]42)[C@H]3C(=O)[O-])cc1 ZINC000244659696 407930559 /nfs/dbraw/zinc/93/05/59/407930559.db2.gz HHIQPLWSTYAEPV-ZEPSMKPISA-N -1 0 305.355 1.622 50 0 DDAARM COc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1F ZINC000263132762 408035559 /nfs/dbraw/zinc/03/55/59/408035559.db2.gz NGURGEXGDFLJEU-PSASIEDQSA-N -1 0 317.338 1.176 50 0 DDAARM C[C@@H]1CCCN(Cc2nc(N)c3ccccc3n2)[C@@H]1C(=O)[O-] ZINC000263039489 408007886 /nfs/dbraw/zinc/00/78/86/408007886.db2.gz IODPEYDGKTYLAJ-YGRLFVJLSA-N -1 0 300.362 1.897 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nc1 ZINC000265298164 408606231 /nfs/dbraw/zinc/60/62/31/408606231.db2.gz JAWDYSORCRPCNN-ICCXJUOJSA-N -1 0 317.345 1.038 50 0 DDAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c2cnn(C(C)C)c2n1 ZINC000178262986 408795906 /nfs/dbraw/zinc/79/59/06/408795906.db2.gz ZDLULQRMEVRPBH-NSHDSACASA-N -1 0 316.361 1.867 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nc2ccccc12 ZINC000178280368 408798354 /nfs/dbraw/zinc/79/83/54/408798354.db2.gz RFRPSTUZLANQJV-CQSZACIVSA-N -1 0 300.314 1.469 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000252587227 408805521 /nfs/dbraw/zinc/80/55/21/408805521.db2.gz WMEMABXRLRCNBR-BPNCWPANSA-N -1 0 315.377 1.574 50 0 DDAARM CCc1nc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)no1 ZINC000295298077 409419461 /nfs/dbraw/zinc/41/94/61/409419461.db2.gz LZSPACHZDOBXNE-UHFFFAOYSA-N -1 0 321.358 1.952 50 0 DDAARM Cc1cccc(OCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000314786019 409830741 /nfs/dbraw/zinc/83/07/41/409830741.db2.gz BTRXNFBFLRBYGN-CQSZACIVSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)C[C@@H]2CCc3ccccc32)n1 ZINC000647780500 423045288 /nfs/dbraw/zinc/04/52/88/423045288.db2.gz AAPNYHSCNBQECU-NSHDSACASA-N -1 0 300.318 1.421 50 0 DDAARM Cc1ccc(C2(C(=O)Nc3ncn(CC(=O)[O-])n3)CCC2)cc1 ZINC000647784025 423046674 /nfs/dbraw/zinc/04/66/74/423046674.db2.gz GTRVNVMTMVBJGH-UHFFFAOYSA-N -1 0 314.345 1.732 50 0 DDAARM COCCn1cc(C(=O)c2ccccc2[O-])cc1C(=O)N(C)C ZINC000048235455 418466862 /nfs/dbraw/zinc/46/68/62/418466862.db2.gz WCHHKOKIGPUEPY-UHFFFAOYSA-N -1 0 316.357 1.773 50 0 DDAARM Cc1noc(C2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)n1 ZINC000046087466 418444749 /nfs/dbraw/zinc/44/47/49/418444749.db2.gz SWPUDMODKKJVHG-OLZOCXBDSA-N -1 0 319.361 1.751 50 0 DDAARM NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118882715 418501808 /nfs/dbraw/zinc/50/18/08/418501808.db2.gz MAVHTJKFINDRBD-JTQLQIEISA-N -1 0 319.386 1.987 50 0 DDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC000192893623 418527308 /nfs/dbraw/zinc/52/73/08/418527308.db2.gz IDLIUQSEMXAPSY-ZDUSSCGKSA-N -1 0 304.346 1.212 50 0 DDAARM O=C([O-])c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cn1 ZINC000299740625 229375038 /nfs/dbraw/zinc/37/50/38/229375038.db2.gz APNXJDSFRWDISO-UHFFFAOYSA-N -1 0 300.270 1.439 50 0 DDAARM O=C([O-])C1CCN(C(=O)CN2CC3(CC3)c3ccccc32)CC1 ZINC000515855527 421520132 /nfs/dbraw/zinc/52/01/32/421520132.db2.gz HDGJWPVDPLYZBV-UHFFFAOYSA-N -1 0 314.385 1.861 50 0 DDAARM CC(Nc1ccc(C(=O)[O-])cc1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000017252277 278162294 /nfs/dbraw/zinc/16/22/94/278162294.db2.gz HGXUFQMGIKKUNN-UHFFFAOYSA-N -1 0 317.301 1.121 50 0 DDAARM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC000178289852 279000359 /nfs/dbraw/zinc/00/03/59/279000359.db2.gz PBAVWMHCEPOUQA-IWSPIJDZSA-N -1 0 324.299 1.059 50 0 DDAARM COc1cc(/C=C\C(=O)N(C)CC(=O)[O-])cc2c1OCCO2 ZINC000492117148 294910275 /nfs/dbraw/zinc/91/02/75/294910275.db2.gz IQEXRHLIRGKOQX-ARJAWSKDSA-N -1 0 307.302 1.023 50 0 DDAARM COc1cccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c1OC ZINC000020738618 295315356 /nfs/dbraw/zinc/31/53/56/295315356.db2.gz LUPUWXLXCBAOOG-NSHDSACASA-N -1 0 316.317 1.587 50 0 DDAARM COc1cccc([C@@H]2CN(C(=O)C3(C)COC3)C[C@H]2C(=O)[O-])c1 ZINC000091737804 295316128 /nfs/dbraw/zinc/31/61/28/295316128.db2.gz VGKDSRWDVZEINS-UONOGXRCSA-N -1 0 319.357 1.358 50 0 DDAARM COc1cc(C)ccc1OCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000376519497 302089592 /nfs/dbraw/zinc/08/95/92/302089592.db2.gz XRXLBKJCPUQOCL-LBPRGKRZSA-N -1 0 323.345 1.085 50 0 DDAARM Cc1nn(C)c2nc(C)cc(C(=O)N3CC=C[C@@H]3C(=O)[O-])c12 ZINC000426387167 302790468 /nfs/dbraw/zinc/79/04/68/302790468.db2.gz WZESJADQSYTQCQ-LLVKDONJSA-N -1 0 300.318 1.050 50 0 DDAARM Cn1nccc1/C=C\C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000271956782 303063630 /nfs/dbraw/zinc/06/36/30/303063630.db2.gz CATOLQDMNJKVOU-YYWDSJPTSA-N -1 0 303.362 1.678 50 0 DDAARM CSCC[C@H](NC(=O)N(C)CCc1ccccn1)C(=O)[O-] ZINC000040559351 483925446 /nfs/dbraw/zinc/92/54/46/483925446.db2.gz STTMLUUBQGTBKN-LBPRGKRZSA-N -1 0 311.407 1.472 50 0 DDAARM CC(C)(C)n1nnc(C(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC000659137645 484648731 /nfs/dbraw/zinc/64/87/31/484648731.db2.gz MCHMWTAQOUDCRA-UHFFFAOYSA-N -1 0 303.322 1.308 50 0 DDAARM C[C@@]1(C(F)F)CN(C(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000663148616 484704807 /nfs/dbraw/zinc/70/48/07/484704807.db2.gz SUYFTXLJMCPIKS-ZDUSSCGKSA-N -1 0 300.261 1.276 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000299744951 534499583 /nfs/dbraw/zinc/49/95/83/534499583.db2.gz QGIYFXBROWPVLF-HNNXBMFYSA-N -1 0 319.357 1.934 50 0 DDAARM O=C([O-])C1(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000154908169 527550985 /nfs/dbraw/zinc/55/09/85/527550985.db2.gz UVDAXJRFRIQJFE-CQSZACIVSA-N -1 0 321.348 1.963 50 0 DDAARM CC(C)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])nn1C(C)(C)C ZINC000299747441 528020213 /nfs/dbraw/zinc/02/02/13/528020213.db2.gz DAGZCUKHGBDQNT-CYBMUJFWSA-N -1 0 323.393 1.687 50 0 DDAARM NC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1N1CCCCC1 ZINC000015857211 696059546 /nfs/dbraw/zinc/05/95/46/696059546.db2.gz FZSWRRXCOCWMJN-UHFFFAOYSA-N -1 0 319.361 1.579 50 0 DDAARM Cc1nc(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)cs1 ZINC000072430847 696393936 /nfs/dbraw/zinc/39/39/36/696393936.db2.gz LGOVVRPIQGIUGO-UHFFFAOYSA-N -1 0 320.374 1.364 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1ccncc1 ZINC000091587370 696589546 /nfs/dbraw/zinc/58/95/46/696589546.db2.gz ICYRXWPQTHPQEX-LSDHHAIUSA-N -1 0 311.341 1.346 50 0 DDAARM CCNC(=O)c1ccc(N2CCC[C@@](CC)(C(=O)[O-])C2)nc1 ZINC000219610302 697754360 /nfs/dbraw/zinc/75/43/60/697754360.db2.gz OARPERSOUPJDHP-MRXNPFEDSA-N -1 0 305.378 1.913 50 0 DDAARM Cc1c(/C=C\C(=O)[N-]S(=O)(=O)[C@@H](C)CC(C)C)cnn1C ZINC000221982041 697755718 /nfs/dbraw/zinc/75/57/18/697755718.db2.gz HFFJQCBLWWNJAW-ZADCQDASSA-N -1 0 313.423 1.622 50 0 DDAARM C/C(=C\C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccncc1 ZINC000584907900 771884247 /nfs/dbraw/zinc/88/42/47/771884247.db2.gz CCRXWXYOBRJQOM-WONIAPNHSA-N -1 0 324.402 1.500 50 0 DDAARM CCc1ccccc1-n1cc([O-])c(C(=O)NCc2ncc[nH]2)n1 ZINC000079054348 185150352 /nfs/dbraw/zinc/15/03/52/185150352.db2.gz XUYVAPHDLPYGQH-UHFFFAOYSA-N -1 0 311.345 1.793 50 0 DDAARM O=C(NCc1nc(=O)[n-][nH]1)c1cccc(Oc2ccccc2)c1 ZINC000216075353 539264373 /nfs/dbraw/zinc/26/43/73/539264373.db2.gz NIWYVYRKFYTTJV-UHFFFAOYSA-N -1 0 310.313 1.820 50 0 DDAARM C[C@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cc[nH]c(=O)c1 ZINC000263121349 539275936 /nfs/dbraw/zinc/27/59/36/539275936.db2.gz CGYDYVCGYKGMSB-SCVCMEIPSA-N -1 0 307.350 1.600 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 ZINC000095427758 185362133 /nfs/dbraw/zinc/36/21/33/185362133.db2.gz KOOHGJYLDZFEFA-ZFWWWQNUSA-N -1 0 316.357 1.187 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(C)cc2F)C1 ZINC000685941093 539565238 /nfs/dbraw/zinc/56/52/38/539565238.db2.gz QRXLFGXWWGRMKA-GWCFXTLKSA-N -1 0 322.336 1.186 50 0 DDAARM CC(C)(NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000236676010 201960722 /nfs/dbraw/zinc/96/07/22/201960722.db2.gz YWDXSLIUKWSKDT-GFCCVEGCSA-N -1 0 304.346 1.015 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2cccc(-n3cnnc3)c2)[C@@H]1C(=O)[O-] ZINC000071288498 190953614 /nfs/dbraw/zinc/95/36/14/190953614.db2.gz BWYKPZFFJZEABP-NWDGAFQWSA-N -1 0 300.318 1.563 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccnc(C(=O)[O-])c1 ZINC000237510110 186299732 /nfs/dbraw/zinc/29/97/32/186299732.db2.gz SNZSXPRLCHDPKT-VIFPVBQESA-N -1 0 316.361 1.491 50 0 DDAARM O=C([O-])c1ccccc1CC(=O)NCc1nnc2ccccn21 ZINC000072401614 191150705 /nfs/dbraw/zinc/15/07/05/191150705.db2.gz CRZVJFAWCKMFOS-UHFFFAOYSA-N -1 0 310.313 1.286 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3ccco3)CC2)c1 ZINC000072428251 191161820 /nfs/dbraw/zinc/16/18/20/191161820.db2.gz WQDBUEDFMHBMAF-UHFFFAOYSA-N -1 0 303.318 1.501 50 0 DDAARM Cc1c(O)ccc2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc12 ZINC000004064637 181069024 /nfs/dbraw/zinc/06/90/24/181069024.db2.gz AGFBGMSPOMHDRS-UHFFFAOYSA-N -1 0 319.313 1.249 50 0 biogenic DDAARM CC(C)[C@H](NC(=O)c1cn(Cc2cccs2)nn1)C(=O)[O-] ZINC000236775921 202002540 /nfs/dbraw/zinc/00/25/40/202002540.db2.gz WRTVEHHCZWDAFE-NSHDSACASA-N -1 0 308.363 1.227 50 0 DDAARM O=C([O-])C1CCC(NC(=O)N2CCOCC(F)(F)C2)CC1 ZINC000263510969 304038408 /nfs/dbraw/zinc/03/84/08/304038408.db2.gz YSVQVJPAZWYPOK-UHFFFAOYSA-N -1 0 306.309 1.307 50 0 DDAARM COc1ccc(Cl)cc1N([C@@H](C)C(=O)[O-])S(C)(=O)=O ZINC000004777327 181151247 /nfs/dbraw/zinc/15/12/47/181151247.db2.gz FJRHBYIPMKFRIW-ZETCQYMHSA-N -1 0 307.755 1.588 50 0 DDAARM CC1(S(=O)(=O)N2Cc3cc(O)ccc3C[C@@H]2C(=O)[O-])CC1 ZINC000585136744 354812942 /nfs/dbraw/zinc/81/29/42/354812942.db2.gz REJVDGFPAQEREM-GFCCVEGCSA-N -1 0 311.359 1.086 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237681860 202326898 /nfs/dbraw/zinc/32/68/98/202326898.db2.gz NRUNQQGVDOVIHS-CYBMUJFWSA-N -1 0 307.394 1.683 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)c1ccnc(-n2cnnc2)c1 ZINC000006668580 181367999 /nfs/dbraw/zinc/36/79/99/181367999.db2.gz DRPBDVNUPQJTCP-UHFFFAOYSA-N -1 0 309.285 1.613 50 0 DDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000006706504 181374749 /nfs/dbraw/zinc/37/47/49/181374749.db2.gz ZUOLTMQJTHZFHV-UHFFFAOYSA-N -1 0 309.347 1.316 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1c1ccccc1 ZINC000091452303 193058739 /nfs/dbraw/zinc/05/87/39/193058739.db2.gz KEWXCQHDONJYPL-JKSUJKDBSA-N -1 0 310.353 1.951 50 0 DDAARM O=C([O-])[C@@H]1CN(c2ncnc3nc[nH]c32)C[C@H]1c1ccncc1 ZINC000092046511 193147561 /nfs/dbraw/zinc/14/75/61/193147561.db2.gz UGUMJMBYZQTNRJ-WDEREUQCSA-N -1 0 310.317 1.053 50 0 DDAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)C2CCC2)cc1 ZINC000218326178 201537601 /nfs/dbraw/zinc/53/76/01/201537601.db2.gz YWFNKMUZYRNVJF-HUUCEWRRSA-N -1 0 319.357 1.837 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262436224 203293988 /nfs/dbraw/zinc/29/39/88/203293988.db2.gz TTXJPPIGSTWIBU-GMTAPVOTSA-N -1 0 318.156 1.864 50 0 DDAARM O=C([O-])C[C@H](NC(=O)COCCOc1ccccc1)C1CC1 ZINC000095970300 193466897 /nfs/dbraw/zinc/46/68/97/193466897.db2.gz BANRUVXRJBWZFE-AWEZNQCLSA-N -1 0 307.346 1.452 50 0 DDAARM CN(C)C(=O)CC[C@H]1CCCN(c2cccc(C(=O)[O-])n2)C1 ZINC000096133435 193548092 /nfs/dbraw/zinc/54/80/92/193548092.db2.gz XSCHXCCGOIRJOO-GFCCVEGCSA-N -1 0 305.378 1.865 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000268911264 207078678 /nfs/dbraw/zinc/07/86/78/207078678.db2.gz NIRSEFWJQINJSC-MNOVXSKESA-N -1 0 317.263 1.965 50 0 DDAARM CC[C@@H](C(=O)Nc1c(C)nn(CC(=O)[O-])c1C)n1cccn1 ZINC000055369376 183982211 /nfs/dbraw/zinc/98/22/11/183982211.db2.gz NQLFODZBPCZWCB-NSHDSACASA-N -1 0 305.338 1.371 50 0 DDAARM Cc1ccccc1-n1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cn1 ZINC000268967759 207130456 /nfs/dbraw/zinc/13/04/56/207130456.db2.gz FARLSZRZUPYFIN-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM CCO[C@@H]1C[C@@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000269036997 207184332 /nfs/dbraw/zinc/18/43/32/207184332.db2.gz OVDCUBBTHHISCX-UONOGXRCSA-N -1 0 307.346 1.234 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000269082805 207229027 /nfs/dbraw/zinc/22/90/27/207229027.db2.gz IHVVUCXSHDMRAX-BXUZGUMPSA-N -1 0 324.352 1.131 50 0 DDAARM COc1cc(Cl)cc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000065394746 184334756 /nfs/dbraw/zinc/33/47/56/184334756.db2.gz CCMBIWBZBYGZNR-CMPLNLGQSA-N -1 0 313.737 1.399 50 0 DDAARM Cc1nnc(SCCCN2C[C@H](C(=O)[O-])CC2=O)s1 ZINC000065410154 184340138 /nfs/dbraw/zinc/34/01/38/184340138.db2.gz ICNVPABDUJHGTE-MRVPVSSYSA-N -1 0 301.393 1.262 50 0 DDAARM COc1ccc(CCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000269203105 207321708 /nfs/dbraw/zinc/32/17/08/207321708.db2.gz SAWYQTLUOQRMKM-GFCCVEGCSA-N -1 0 307.346 1.570 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000158498413 197278550 /nfs/dbraw/zinc/27/85/50/197278550.db2.gz ZZYXKSKWMHQXNI-LBPRGKRZSA-N -1 0 301.302 1.816 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000328588346 533230981 /nfs/dbraw/zinc/23/09/81/533230981.db2.gz CHZYMPMGLMSFBP-DIECRNLCSA-N -1 0 321.329 1.029 50 0 DDAARM COc1ccc2nc(C(=O)N3CCO[C@H](C(=O)[O-])C3)ccc2c1 ZINC000299748143 533343779 /nfs/dbraw/zinc/34/37/79/533343779.db2.gz GFMNWHXKCZCXDC-AWEZNQCLSA-N -1 0 316.313 1.169 50 0 DDAARM COC(=O)c1ccc(OC)c(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071286189 292014390 /nfs/dbraw/zinc/01/43/90/292014390.db2.gz ANMCAHVTGSLBSX-NWDGAFQWSA-N -1 0 321.329 1.777 50 0 DDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000000152669 406627021 /nfs/dbraw/zinc/62/70/21/406627021.db2.gz PVNUALWPLLUROR-UHFFFAOYSA-N -1 0 310.331 1.879 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=S)NCc1ccccc1 ZINC000000504179 406653201 /nfs/dbraw/zinc/65/32/01/406653201.db2.gz VVJPSFQYFNALGR-LBPRGKRZSA-N -1 0 304.375 1.070 50 0 DDAARM O=C(NCc1ccco1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001322800 406666789 /nfs/dbraw/zinc/66/67/89/406666789.db2.gz GPHHZMNKWMBHKP-UHFFFAOYSA-N -1 0 310.309 1.786 50 0 DDAARM CC(C)CN1C(=O)c2ccc(C(=O)NCCC(=O)[O-])cc2C1=O ZINC000001448308 406669563 /nfs/dbraw/zinc/66/95/63/406669563.db2.gz CRHXKTPWRJZWDL-UHFFFAOYSA-N -1 0 318.329 1.143 50 0 DDAARM COc1cc(OC)nc(CSc2ncc(C(=O)[O-])n2C)n1 ZINC000001742129 406677438 /nfs/dbraw/zinc/67/74/38/406677438.db2.gz IREJEYFIUDRYAN-UHFFFAOYSA-N -1 0 310.335 1.218 50 0 DDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)[O-] ZINC000002539198 406689052 /nfs/dbraw/zinc/68/90/52/406689052.db2.gz SOSXJQKIIYOJPF-STQMWFEESA-N -1 0 309.362 1.958 50 0 DDAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 ZINC000002633041 406694252 /nfs/dbraw/zinc/69/42/52/406694252.db2.gz IUKNUIPYYGWRKE-VIFPVBQESA-N -1 0 319.766 1.496 50 0 DDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000276486 406637488 /nfs/dbraw/zinc/63/74/88/406637488.db2.gz BNKUFAPLNXFUTK-RYUDHWBXSA-N -1 0 305.330 1.923 50 0 DDAARM O=C([O-])CNC(=O)c1cccc(I)c1 ZINC000000258025 406637959 /nfs/dbraw/zinc/63/79/59/406637959.db2.gz JFJVYCLGHWPODH-UHFFFAOYSA-N -1 0 305.071 1.106 50 0 DDAARM COc1ccc(CCn2cc(C(=O)[O-])ccc2=O)cc1OC ZINC000008879834 406797511 /nfs/dbraw/zinc/79/75/11/406797511.db2.gz YKWJFVLGDHSNQZ-UHFFFAOYSA-N -1 0 303.314 1.806 50 0 DDAARM Cc1cc(C(=O)[O-])nc(N2CCN(c3ccccc3F)CC2)n1 ZINC000071195443 406833893 /nfs/dbraw/zinc/83/38/93/406833893.db2.gz PVUMZELTBAAOAJ-UHFFFAOYSA-N -1 0 316.336 1.949 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012649750 406849665 /nfs/dbraw/zinc/84/96/65/406849665.db2.gz CRHBLLDNNBKIOW-QWHCGFSZSA-N -1 0 305.378 1.662 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)NCCNc2ccccn2)cc1 ZINC000013250116 406860169 /nfs/dbraw/zinc/86/01/69/406860169.db2.gz FYLBDIDBLFQTLV-UHFFFAOYSA-N -1 0 321.358 1.170 50 0 DDAARM COc1ccc2[nH]cc(CCN3C[C@@H](C(=O)[O-])CC3=O)c2c1 ZINC000034927181 406965662 /nfs/dbraw/zinc/96/56/62/406965662.db2.gz GJXGBNDQHLFKBD-NSHDSACASA-N -1 0 302.330 1.652 50 0 DDAARM O=C(Cn1ncc2ccccc2c1=O)[N-]OCc1ccccc1 ZINC000029009316 406920961 /nfs/dbraw/zinc/92/09/61/406920961.db2.gz MLEWSMHXMVAVIV-UHFFFAOYSA-N -1 0 309.325 1.645 50 0 DDAARM O=C([O-])[C@@H](Sc1nc2[nH]cnc2c(=O)[nH]1)c1ccccc1 ZINC000033324844 406960505 /nfs/dbraw/zinc/96/05/05/406960505.db2.gz ATSRCWNWYPNJJH-VIFPVBQESA-N -1 0 302.315 1.564 50 0 DDAARM COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cn1 ZINC000044867439 407029777 /nfs/dbraw/zinc/02/97/77/407029777.db2.gz YPKROCOFTXOVMX-UHFFFAOYSA-N -1 0 322.342 1.898 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2O)c1 ZINC000089750266 407145958 /nfs/dbraw/zinc/14/59/58/407145958.db2.gz YSDUHCVLRWSHBD-UHFFFAOYSA-N -1 0 321.280 1.945 50 0 DDAARM CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000095973612 407219590 /nfs/dbraw/zinc/21/95/90/407219590.db2.gz WKBFSZKPTCQDGZ-GHMZBOCLSA-N -1 0 312.391 1.627 50 0 DDAARM Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3cccs3)ccc21 ZINC000095991759 407221614 /nfs/dbraw/zinc/22/16/14/407221614.db2.gz FKLNREMJTRZAPQ-UHFFFAOYSA-N -1 0 321.383 1.754 50 0 DDAARM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1nncs1 ZINC000101775406 407315706 /nfs/dbraw/zinc/31/57/06/407315706.db2.gz ZBERXOXNVUFULE-NSHDSACASA-N -1 0 315.358 1.511 50 0 DDAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1cc(Cl)ccc1Cl ZINC000096449946 407267958 /nfs/dbraw/zinc/26/79/58/407267958.db2.gz RRAQGRFDQPGKMT-UHFFFAOYSA-N -1 0 301.133 1.377 50 0 DDAARM CCn1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cn1 ZINC000097036403 407275972 /nfs/dbraw/zinc/27/59/72/407275972.db2.gz QLMJXGHJEWRLAI-CYBMUJFWSA-N -1 0 305.309 1.468 50 0 DDAARM Cc1ocnc1C(=O)NC[C@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000097036027 407276246 /nfs/dbraw/zinc/27/62/46/407276246.db2.gz SOZAUBUEJCPYSB-ZDUSSCGKSA-N -1 0 302.330 1.965 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000067840943 407286183 /nfs/dbraw/zinc/28/61/83/407286183.db2.gz NBJSLKRRXQZBNE-ZDUSSCGKSA-N -1 0 317.301 1.311 50 0 DDAARM COc1cc(F)c(CN2CCOC[C@H]2CC(=O)[O-])cc1OC ZINC000097243665 407289538 /nfs/dbraw/zinc/28/95/38/407289538.db2.gz MIEUDFUURAPUCL-LLVKDONJSA-N -1 0 313.325 1.518 50 0 DDAARM COc1ccc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)cc1Cl ZINC000098063955 407304739 /nfs/dbraw/zinc/30/47/39/407304739.db2.gz WSIKBKAOHJSLDY-ZETCQYMHSA-N -1 0 307.755 1.588 50 0 DDAARM CCn1c2ccccc2c([O-])c(C(=O)NC[C@@H]2CCCO2)c1=O ZINC000100271840 407307618 /nfs/dbraw/zinc/30/76/18/407307618.db2.gz LXHUAIQNCMEWNU-NSHDSACASA-N -1 0 316.357 1.636 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)nn1 ZINC000170598274 407449718 /nfs/dbraw/zinc/44/97/18/407449718.db2.gz PSDHQOQYBQTZKR-UHFFFAOYSA-N -1 0 315.301 1.873 50 0 DDAARM CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1ccncc1[O-] ZINC000222439532 407556598 /nfs/dbraw/zinc/55/65/98/407556598.db2.gz MEPSYHAQQROHLS-LLVKDONJSA-N -1 0 305.378 1.506 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000224807128 407578860 /nfs/dbraw/zinc/57/88/60/407578860.db2.gz ZWVJBLSSZLISRA-LURJTMIESA-N -1 0 310.158 1.981 50 0 DDAARM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccoc1Cl ZINC000225789281 407605771 /nfs/dbraw/zinc/60/57/71/407605771.db2.gz BOLDGOANGCOWSL-RNFRBKRXSA-N -1 0 323.754 1.190 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000236628085 407735245 /nfs/dbraw/zinc/73/52/45/407735245.db2.gz STSMJOHEONJNCR-JOHMGYAOSA-N -1 0 307.321 1.931 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CCO1 ZINC000238052426 407879030 /nfs/dbraw/zinc/87/90/30/407879030.db2.gz BZDYBNKOVHVZKZ-LBPRGKRZSA-N -1 0 320.320 1.552 50 0 DDAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCCCF ZINC000154108629 407975729 /nfs/dbraw/zinc/97/57/29/407975729.db2.gz QGGXSZGVJZPPCR-UHFFFAOYSA-N -1 0 309.366 1.551 50 0 DDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000263189471 408051912 /nfs/dbraw/zinc/05/19/12/408051912.db2.gz XQSGPBGICCXEIJ-WDEREUQCSA-N -1 0 309.366 1.248 50 0 DDAARM O=C([O-])CCN(C(=O)c1ccc2c(c1)CCC(=O)N2)C1CC1 ZINC000138082678 408165669 /nfs/dbraw/zinc/16/56/69/408165669.db2.gz JLVYHOFRUQPISO-UHFFFAOYSA-N -1 0 302.330 1.651 50 0 DDAARM Cn1cc(Cl)cc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000165919515 408814368 /nfs/dbraw/zinc/81/43/68/408814368.db2.gz ULJVBYQKLOVGHN-UHFFFAOYSA-N -1 0 300.742 1.290 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000178274782 408796698 /nfs/dbraw/zinc/79/66/98/408796698.db2.gz MFUZIMGYPPVIQM-MRVPVSSYSA-N -1 0 321.283 1.902 50 0 DDAARM CCCN(CC)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC000178273831 408797115 /nfs/dbraw/zinc/79/71/15/408797115.db2.gz RSWXZXAZFHWIEX-ZDUSSCGKSA-N -1 0 305.378 1.865 50 0 DDAARM O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccc(F)cc1Cl ZINC000036885545 418415408 /nfs/dbraw/zinc/41/54/08/418415408.db2.gz QVZPBLWZODNIDJ-UHFFFAOYSA-N -1 0 321.757 1.964 50 0 DDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000072242951 418489757 /nfs/dbraw/zinc/48/97/57/418489757.db2.gz WJCXGCZHAXJUAZ-UHFFFAOYSA-N -1 0 317.370 2.076 50 0 DDAARM Cc1ccc(C(=O)N2CCc3c(nc4cc[n-]n4c3=O)C2)s1 ZINC000102989977 418495380 /nfs/dbraw/zinc/49/53/80/418495380.db2.gz FUOSQYBEYMJARY-UHFFFAOYSA-N -1 0 314.370 1.591 50 0 DDAARM Cc1ccccc1C(=O)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990617 418495546 /nfs/dbraw/zinc/49/55/46/418495546.db2.gz VYZDJUWSBKTCFR-UHFFFAOYSA-N -1 0 308.341 1.530 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cccnc2)c(C)c1C ZINC000117540164 418501908 /nfs/dbraw/zinc/50/19/08/418501908.db2.gz WECOBPONVCRGMN-UHFFFAOYSA-N -1 0 320.370 1.826 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000119563237 418502724 /nfs/dbraw/zinc/50/27/24/418502724.db2.gz XLADKVRRFQWNNL-INIZCTEOSA-N -1 0 304.346 1.945 50 0 DDAARM CC(C)(C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1)n1cccc1 ZINC000426381818 419453861 /nfs/dbraw/zinc/45/38/61/419453861.db2.gz VWHWWEJEFRUQNK-CYBMUJFWSA-N -1 0 302.330 1.871 50 0 DDAARM Cc1nc(-c2ccccc2)ncc1C(=O)N1CC=C[C@@H]1C(=O)[O-] ZINC000426538010 419501907 /nfs/dbraw/zinc/50/19/07/419501907.db2.gz APUFAJNAKDJKJQ-CQSZACIVSA-N -1 0 309.325 1.917 50 0 DDAARM Nc1ncccc1C[N@@H+]1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426575070 419508548 /nfs/dbraw/zinc/50/85/48/419508548.db2.gz TXNQJWYQYMGKRD-LBPRGKRZSA-N -1 0 315.377 1.325 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1 ZINC000299742223 229378759 /nfs/dbraw/zinc/37/87/59/229378759.db2.gz IYUSGHVGIHSGQE-CQSZACIVSA-N -1 0 316.357 1.356 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 ZINC000299744497 229383422 /nfs/dbraw/zinc/38/34/22/229383422.db2.gz SPSWZPMLFURDEP-GFCCVEGCSA-N -1 0 300.314 1.817 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000299751480 229396554 /nfs/dbraw/zinc/39/65/54/229396554.db2.gz QQEJKTZNNVLEPV-CWSCBRNRSA-N -1 0 311.284 1.585 50 0 DDAARM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@@H]2C=CCC2)s1 ZINC000047293469 295541535 /nfs/dbraw/zinc/54/15/35/295541535.db2.gz QBPWILXKTDZDSY-SSDOTTSWSA-N -1 0 302.381 1.204 50 0 DDAARM Cn1nccc1CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000253350461 303065741 /nfs/dbraw/zinc/06/57/41/303065741.db2.gz JHCPGYPFWXWOSX-UBHSHLNASA-N -1 0 305.378 1.597 50 0 DDAARM Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC000299747990 533700679 /nfs/dbraw/zinc/70/06/79/533700679.db2.gz FSJFQNCSWRNPNX-AWEZNQCLSA-N -1 0 320.389 1.300 50 0 DDAARM O=C([O-])CN(C(=O)Cn1ncc2ccccc21)C1CCOCC1 ZINC000238102531 337383657 /nfs/dbraw/zinc/38/36/57/337383657.db2.gz HBHVMZVBFQASPD-UHFFFAOYSA-N -1 0 317.345 1.129 50 0 DDAARM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccncc1Br ZINC000395834791 483991772 /nfs/dbraw/zinc/99/17/72/483991772.db2.gz JOINXKZVLWALQK-VIFPVBQESA-N -1 0 301.140 1.779 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2nc(-c3ccccc3)ns2)C1 ZINC000662898085 484529135 /nfs/dbraw/zinc/52/91/35/484529135.db2.gz RRFSYJJJCHTOKO-HBNTYKKESA-N -1 0 305.359 1.841 50 0 DDAARM O=C([O-])C1(C(=O)N2CC[C@H](N3CCOCC3)C2)CCCCCC1 ZINC000663067137 484641150 /nfs/dbraw/zinc/64/11/50/484641150.db2.gz QXYOXLHANSYBPU-AWEZNQCLSA-N -1 0 324.421 1.345 50 0 DDAARM Cc1noc([C@@H]2CCN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)C2)n1 ZINC000299776588 534457080 /nfs/dbraw/zinc/45/70/80/534457080.db2.gz MPRWNQGGGSOCBV-SNVBAGLBSA-N -1 0 318.333 1.651 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCO1 ZINC000299750872 534524413 /nfs/dbraw/zinc/52/44/13/534524413.db2.gz OOGVNMXHMLVIAI-AWEZNQCLSA-N -1 0 319.357 1.047 50 0 DDAARM CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000299753664 528605990 /nfs/dbraw/zinc/60/59/90/528605990.db2.gz YXKIJSHCGUWZHT-ZMLRMANQSA-N -1 0 307.346 1.992 50 0 DDAARM CCOc1ccccc1CCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299745356 528714309 /nfs/dbraw/zinc/71/43/09/528714309.db2.gz YHGAIVIWCKBZHR-CQSZACIVSA-N -1 0 307.346 1.330 50 0 DDAARM Nc1nc(-c2ccccc2C(=O)[O-])cc(N2CCOCC2)n1 ZINC000215712936 545650655 /nfs/dbraw/zinc/65/06/55/545650655.db2.gz GSRKYEZIAPFERJ-UHFFFAOYSA-N -1 0 300.318 1.261 50 0 DDAARM COC(=O)C[C@H](c1ccco1)c1c(=O)nc2ccccn2c1[O-] ZINC000206252637 563618473 /nfs/dbraw/zinc/61/84/73/563618473.db2.gz OXXQLXRVAAWBOS-SNVBAGLBSA-N -1 0 314.297 1.688 50 0 DDAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000020548145 696070626 /nfs/dbraw/zinc/07/06/26/696070626.db2.gz LYQQRTBHFOAYER-UWVGGRQHSA-N -1 0 313.375 1.757 50 0 DDAARM CC1(C(=O)N2CCC3(CN(CCCC(=O)[O-])C(=O)O3)CC2)CC1 ZINC000077423160 696439561 /nfs/dbraw/zinc/43/95/61/696439561.db2.gz NRHKVWXTOMQMMW-UHFFFAOYSA-N -1 0 324.377 1.465 50 0 DDAARM O=C([O-])c1cnc(NC[C@H]2CCCO2)nc1-c1cccnc1 ZINC000169751171 697343888 /nfs/dbraw/zinc/34/38/88/697343888.db2.gz HHDCGHSVPDNKKR-LLVKDONJSA-N -1 0 300.318 1.828 50 0 DDAARM CN1CCN(C(=O)C2CCC(C(=O)[O-])CC2)C[C@H]1c1ncc[nH]1 ZINC000888096081 709212280 /nfs/dbraw/zinc/21/22/80/709212280.db2.gz JPGQAKLPIJZIDE-BPCQOVAHSA-N -1 0 320.393 1.116 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@](O)(C(F)(F)C(=O)[O-])CC1 ZINC000952876506 775624829 /nfs/dbraw/zinc/62/48/29/775624829.db2.gz UCSZCWLALJIGJM-GFCCVEGCSA-N -1 0 309.309 1.858 50 0 DDAARM CCCCc1nnc([N-]S(=O)(=O)c2cnn3ccccc23)o1 ZINC000952884122 775646056 /nfs/dbraw/zinc/64/60/56/775646056.db2.gz YNSXWSGMKWZZMH-UHFFFAOYSA-N -1 0 321.362 1.861 50 0 DDAARM O=C([O-])c1ccc(-c2ncc(F)c(N3CCOCC3)n2)cc1 ZINC000215727992 539264388 /nfs/dbraw/zinc/26/43/88/539264388.db2.gz SWHMAXXCYAVSHN-UHFFFAOYSA-N -1 0 303.293 1.818 50 0 DDAARM CCC1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCOCC1 ZINC000262905647 539275929 /nfs/dbraw/zinc/27/59/29/539275929.db2.gz YAKYHFBIGKUJFE-UHFFFAOYSA-N -1 0 307.346 1.839 50 0 DDAARM C[C@@H](C(=O)[O-])N(C(=O)c1cccc(NC(=O)N(C)C)c1)C1CC1 ZINC000263544669 539276222 /nfs/dbraw/zinc/27/62/22/539276222.db2.gz GDVRBVZGQMZTDV-JTQLQIEISA-N -1 0 319.361 1.858 50 0 DDAARM Cc1cccc(C[C@@H](CNC(=O)[C@H](C)n2cccn2)C(=O)[O-])c1 ZINC000095425403 185361683 /nfs/dbraw/zinc/36/16/83/185361683.db2.gz VYTOADWWEHRICB-ZFWWWQNUSA-N -1 0 315.373 1.812 50 0 DDAARM COC(=O)[C@@H]1CCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647366 197799366 /nfs/dbraw/zinc/79/93/66/197799366.db2.gz HGXKSPKHGRVWTN-JTQLQIEISA-N -1 0 306.343 1.894 50 0 DDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cn[nH]c2)c1 ZINC000071752903 191023861 /nfs/dbraw/zinc/02/38/61/191023861.db2.gz RSLRQOOSWQUUER-UHFFFAOYSA-N -1 0 309.347 1.462 50 0 DDAARM O=C([O-])CN1N=C(c2nc(-c3ccc(F)cc3)no2)CCC1=O ZINC000072265061 191090311 /nfs/dbraw/zinc/09/03/11/191090311.db2.gz MAPATKQFCCNIAX-UHFFFAOYSA-N -1 0 318.264 1.287 50 0 DDAARM O=C(CCC(F)(F)F)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000194302522 186279393 /nfs/dbraw/zinc/27/93/93/186279393.db2.gz UWHPNLLDPKZBAY-UHFFFAOYSA-N -1 0 301.228 1.237 50 0 DDAARM O=C(Nc1ncccn1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613816 304017594 /nfs/dbraw/zinc/01/75/94/304017594.db2.gz PTNKQFIKESMHHQ-UHFFFAOYSA-N -1 0 322.324 1.696 50 0 DDAARM CC[C@H](C)NC(=O)N1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072478440 191179222 /nfs/dbraw/zinc/17/92/22/191179222.db2.gz MRDOOVCEUCEWHU-LBPRGKRZSA-N -1 0 308.382 1.575 50 0 DDAARM CCNC(=S)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000561700 180822183 /nfs/dbraw/zinc/82/21/83/180822183.db2.gz XXMDDJHOJOUXNO-UHFFFAOYSA-N -1 0 323.237 1.622 50 0 DDAARM COc1ccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1OC ZINC000001060878 180844526 /nfs/dbraw/zinc/84/45/26/180844526.db2.gz NXUJBKNZBPNQHM-QWHCGFSZSA-N -1 0 319.357 1.987 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H](C)Cc1cccs1 ZINC000076089845 353398098 /nfs/dbraw/zinc/39/80/98/353398098.db2.gz OPBJPMUGSYBLAH-SNVBAGLBSA-N -1 0 304.437 1.630 50 0 DDAARM O=C([O-])c1ccccc1CN1C(=O)c2ccccc2S1(=O)=O ZINC000004105447 181074056 /nfs/dbraw/zinc/07/40/56/181074056.db2.gz GSTRTJXHANNPIN-UHFFFAOYSA-N -1 0 317.322 1.730 50 0 DDAARM Cc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)nc2ccccc12 ZINC000195567970 354297779 /nfs/dbraw/zinc/29/77/79/354297779.db2.gz ASBSTRALXTZEEU-NSHDSACASA-N -1 0 310.361 1.932 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000004555489 181123844 /nfs/dbraw/zinc/12/38/44/181123844.db2.gz URPPIUACTSHDKN-ZCFIWIBFSA-N -1 0 317.128 1.571 50 0 DDAARM CC(C)N1C[C@@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1=O ZINC000236833433 202031048 /nfs/dbraw/zinc/03/10/48/202031048.db2.gz NOKRHQRCFWMJCH-STQMWFEESA-N -1 0 310.394 1.347 50 0 DDAARM CC[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000237063438 202139874 /nfs/dbraw/zinc/13/98/74/202139874.db2.gz PEWOBIZQXQARJY-ZDUSSCGKSA-N -1 0 304.346 1.402 50 0 DDAARM CCc1noc(CC)c1CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237071709 202142815 /nfs/dbraw/zinc/14/28/15/202142815.db2.gz DWAYWBFCNRRGIA-UHFFFAOYSA-N -1 0 324.377 1.434 50 0 DDAARM O=C([O-])CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000238191151 304069261 /nfs/dbraw/zinc/06/92/61/304069261.db2.gz KVQZBYHVJLSPRA-IUCAKERBSA-N -1 0 303.236 1.890 50 0 DDAARM Cn1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@@H](c3ccccc3)C2)cn1 ZINC000180348572 199148805 /nfs/dbraw/zinc/14/88/05/199148805.db2.gz RMLHBRFDYWZWOQ-ZIAGYGMSSA-N -1 0 313.357 1.751 50 0 DDAARM C[C@@H](CN(C)C(=O)C1(c2ccccc2)CCOCC1)C(=O)[O-] ZINC000237371730 202246463 /nfs/dbraw/zinc/24/64/63/202246463.db2.gz YDVMWCSOWPVACG-ZDUSSCGKSA-N -1 0 305.374 1.914 50 0 DDAARM Cn1cc(-c2ncc(C(=O)N3CCC[C@H]3C(=O)[O-])s2)cn1 ZINC000237719607 202338997 /nfs/dbraw/zinc/33/89/97/202338997.db2.gz MVNHODPJUFGWQY-VIFPVBQESA-N -1 0 306.347 1.233 50 0 DDAARM Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237700324 202331688 /nfs/dbraw/zinc/33/16/88/202331688.db2.gz BVCVEYCSBJFCSD-CQSZACIVSA-N -1 0 320.320 1.470 50 0 DDAARM Cc1nc2cc(F)ccc2cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237745847 202344821 /nfs/dbraw/zinc/34/48/21/202344821.db2.gz KWFFFVJPPKMEAS-AWEZNQCLSA-N -1 0 318.304 1.608 50 0 DDAARM NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000237909327 202388208 /nfs/dbraw/zinc/38/82/08/202388208.db2.gz FABIEEJNOSXCNV-OQHXTRMZSA-N -1 0 302.330 1.122 50 0 DDAARM Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2ncccc2F)cc1 ZINC000240900788 202459369 /nfs/dbraw/zinc/45/93/69/202459369.db2.gz ITZCCWUAYZYGOI-UHFFFAOYSA-N -1 0 322.361 1.967 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccn1 ZINC000006268674 181324776 /nfs/dbraw/zinc/32/47/76/181324776.db2.gz AHVSTBVBFOCRFL-UHFFFAOYSA-N -1 0 305.359 1.383 50 0 DDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000194451627 201229911 /nfs/dbraw/zinc/22/99/11/201229911.db2.gz PLSPRQXIPZVVAG-UMNHJUIQSA-N -1 0 302.330 1.482 50 0 DDAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cnn(CC)c2)c1 ZINC000006698417 181371997 /nfs/dbraw/zinc/37/19/97/181371997.db2.gz VACVTGKXLDMVQE-UHFFFAOYSA-N -1 0 323.374 1.881 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC000006746612 181381646 /nfs/dbraw/zinc/38/16/46/181381646.db2.gz IDAPGYPXSSLKGI-UHFFFAOYSA-N -1 0 301.339 1.619 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000006746600 181381698 /nfs/dbraw/zinc/38/16/98/181381698.db2.gz YZAPZFQZZXVTEL-UHFFFAOYSA-N -1 0 303.767 1.825 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)cn1C ZINC000006777849 181386690 /nfs/dbraw/zinc/38/66/90/181386690.db2.gz WJWTVFKMABWBCK-UHFFFAOYSA-N -1 0 324.358 1.621 50 0 DDAARM Cc1n[nH]c(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1C ZINC000091780706 193106818 /nfs/dbraw/zinc/10/68/18/193106818.db2.gz JNDISCXPNIPKLF-QWHCGFSZSA-N -1 0 305.378 1.528 50 0 DDAARM CC(C)[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000092002169 193139521 /nfs/dbraw/zinc/13/95/21/193139521.db2.gz OVYVLBSQMUNYMW-JKSUJKDBSA-N -1 0 318.417 1.934 50 0 DDAARM CC(C)C(=O)Nc1nc(CC(=O)N[C@H](C)CC(=O)[O-])cs1 ZINC000262035972 203179906 /nfs/dbraw/zinc/17/99/06/203179906.db2.gz BUPNBIGBJAYTKB-MRVPVSSYSA-N -1 0 313.379 1.260 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1ccccc1=O ZINC000262349690 304148953 /nfs/dbraw/zinc/14/89/53/304148953.db2.gz HFQBDZHXPJCSJI-UPJWGTAASA-N -1 0 304.346 1.093 50 0 DDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262425772 203291016 /nfs/dbraw/zinc/29/10/16/203291016.db2.gz DEHBQCBIRYHHGN-SNVBAGLBSA-N -1 0 311.309 1.031 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000263380151 203461767 /nfs/dbraw/zinc/46/17/67/203461767.db2.gz BHSRBZUHEDVGLM-HNNXBMFYSA-N -1 0 300.318 1.347 50 0 DDAARM CC(C)(C)NC(=O)c1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000095969800 193466180 /nfs/dbraw/zinc/46/61/80/193466180.db2.gz UCRYYQLYBRLIOQ-UHFFFAOYSA-N -1 0 306.362 1.808 50 0 DDAARM Cc1cccc(N2C[C@H](C(=O)N[C@@H](C)CC(=O)[O-])CC2=O)c1C ZINC000095970390 193467239 /nfs/dbraw/zinc/46/72/39/193467239.db2.gz BJLOAAABTKRGNR-WCQYABFASA-N -1 0 318.373 1.636 50 0 DDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2O)cs1 ZINC000016651351 182056160 /nfs/dbraw/zinc/05/61/60/182056160.db2.gz RVSQNDVGYPPYHN-UHFFFAOYSA-N -1 0 312.372 1.614 50 0 DDAARM COc1ccccc1NC(=O)CSc1nc([O-])cc(=O)[nH]1 ZINC000018168839 182095658 /nfs/dbraw/zinc/09/56/58/182095658.db2.gz XRLNQPVPOBXXOY-UHFFFAOYSA-N -1 0 307.331 1.215 50 0 DDAARM O=C1NC(c2ccccc2)=N[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000019873630 182159332 /nfs/dbraw/zinc/15/93/32/182159332.db2.gz MGKKUTXOZHCUTN-ZDUSSCGKSA-N -1 0 321.262 1.724 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000020616626 182239086 /nfs/dbraw/zinc/23/90/86/182239086.db2.gz JHEFCOZWCUVRSR-UHFFFAOYSA-N -1 0 311.301 1.761 50 0 DDAARM O=C(Cn1c(=O)cnc2ccccc21)[N-]OCc1ccccc1 ZINC000025036849 182399693 /nfs/dbraw/zinc/39/96/93/182399693.db2.gz XQKZNXANBHISKS-UHFFFAOYSA-N -1 0 309.325 1.645 50 0 DDAARM CC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268885705 207056122 /nfs/dbraw/zinc/05/61/22/207056122.db2.gz GBTWWFDQPUKYTR-SRVKXCTJSA-N -1 0 305.330 1.746 50 0 DDAARM C[C@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000268905734 207073781 /nfs/dbraw/zinc/07/37/81/207073781.db2.gz MJPCXNRSDSPYJH-BXUZGUMPSA-N -1 0 307.346 1.695 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000268929809 207094310 /nfs/dbraw/zinc/09/43/10/207094310.db2.gz XWYWWDMKBZWVAS-ZIAGYGMSSA-N -1 0 316.357 1.146 50 0 DDAARM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(CC)c2)c1 ZINC000058392374 184112026 /nfs/dbraw/zinc/11/20/26/184112026.db2.gz XWBITGNLLNPOFU-UHFFFAOYSA-N -1 0 323.374 1.881 50 0 DDAARM O=C([O-])c1ccc(-n2c(=O)[nH]nc2Cc2ccccc2F)cc1 ZINC000065374124 184330659 /nfs/dbraw/zinc/33/06/59/184330659.db2.gz DHZCQWGUDGYHDQ-UHFFFAOYSA-N -1 0 313.288 1.989 50 0 DDAARM COCCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000066152157 184393432 /nfs/dbraw/zinc/39/34/32/184393432.db2.gz MYZDCZZQFOAZIW-ZDUSSCGKSA-N -1 0 307.346 1.649 50 0 DDAARM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000158490891 197277914 /nfs/dbraw/zinc/27/79/14/197277914.db2.gz XOTOUKPMXOSWIK-OLZOCXBDSA-N -1 0 324.421 1.737 50 0 DDAARM O=C([O-])c1nn(-c2ccc3c(c2)OCO3)c2ccccc2c1=O ZINC000072332543 304284751 /nfs/dbraw/zinc/28/47/51/304284751.db2.gz LLRPYWTURMQBQZ-UHFFFAOYSA-N -1 0 310.265 1.813 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000000157044 406625852 /nfs/dbraw/zinc/62/58/52/406625852.db2.gz LPFALQSBUORXCA-UHFFFAOYSA-N -1 0 303.290 1.822 50 0 DDAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000208153 406632104 /nfs/dbraw/zinc/63/21/04/406632104.db2.gz LOXNFSABFXGNQL-UHFFFAOYSA-N -1 0 320.374 1.934 50 0 DDAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000000834808 406658099 /nfs/dbraw/zinc/65/80/99/406658099.db2.gz KMBFDSIWSFCRKM-ZCRIDZFUSA-N -1 0 311.359 1.242 50 0 DDAARM CSCC[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000002108295 406682181 /nfs/dbraw/zinc/68/21/81/406682181.db2.gz DROBXKHEFGPLKE-VIFPVBQESA-N -1 0 312.347 1.743 50 0 biogenic DDAARM O=C(CNC(=O)c1ccc(F)c(F)c1)[N-]O[C@@H]1CCCCO1 ZINC000069600048 406744157 /nfs/dbraw/zinc/74/41/57/406744157.db2.gz ISMUKGRZMCZLJJ-CYBMUJFWSA-N -1 0 314.288 1.269 50 0 DDAARM CC(C)(C(=O)N1CCN(CCC(=O)[O-])CC1)c1ccccc1 ZINC000069442782 406712952 /nfs/dbraw/zinc/71/29/52/406712952.db2.gz XMFIQZCVZSHYPW-UHFFFAOYSA-N -1 0 304.390 1.583 50 0 DDAARM COC(=O)[C@](O)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000004343697 406723552 /nfs/dbraw/zinc/72/35/52/406723552.db2.gz AJQWJDCMHPLOSU-SNVBAGLBSA-N -1 0 311.643 1.494 50 0 DDAARM COC(=O)[C@H](C)SC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1 ZINC000009762030 406813144 /nfs/dbraw/zinc/81/31/44/406813144.db2.gz PLMITPNIOXBEIP-LURJTMIESA-N -1 0 318.351 1.591 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000071281701 406836566 /nfs/dbraw/zinc/83/65/66/406836566.db2.gz SWPUFRCDLKPAQC-UHFFFAOYSA-N -1 0 323.312 1.672 50 0 DDAARM COc1ccc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000013170788 406859770 /nfs/dbraw/zinc/85/97/70/406859770.db2.gz QPUCEXBJXSOSNV-CYBMUJFWSA-N -1 0 321.373 1.960 50 0 DDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000017064435 406883537 /nfs/dbraw/zinc/88/35/37/406883537.db2.gz XTBSKDXUPYJHPU-ZVHGMHCTSA-N -1 0 302.330 1.239 50 0 DDAARM CC(=O)N[C@@H](CCCCNC(=S)Nc1ccccc1)C(=O)[O-] ZINC000012379477 406844218 /nfs/dbraw/zinc/84/42/18/406844218.db2.gz XPWAMLXGDACRMA-ZDUSSCGKSA-N -1 0 323.418 1.733 50 0 DDAARM Cc1cc(I)cn2cc(C(=O)[O-])nc12 ZINC000044676180 407029066 /nfs/dbraw/zinc/02/90/66/407029066.db2.gz KARXPPYIHLCQEW-UHFFFAOYSA-N -1 0 302.071 1.946 50 0 DDAARM CCC[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1nnn[n-]1 ZINC000084740419 407094161 /nfs/dbraw/zinc/09/41/61/407094161.db2.gz MQGNUAQEXFPMRV-VXGBXAGGSA-N -1 0 301.350 1.723 50 0 DDAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NC1CCCC1 ZINC000049066395 407114460 /nfs/dbraw/zinc/11/44/60/407114460.db2.gz ACCXRAOJNRMSJL-UHFFFAOYSA-N -1 0 300.355 1.870 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000089809712 407150838 /nfs/dbraw/zinc/15/08/38/407150838.db2.gz CVJLIMNRBBZQOY-UHFFFAOYSA-N -1 0 316.279 1.548 50 0 DDAARM CCCCN(Cc1ccsc1)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000055073843 407193884 /nfs/dbraw/zinc/19/38/84/407193884.db2.gz BVSPDSHOVJXYBE-UHFFFAOYSA-N -1 0 321.402 1.839 50 0 DDAARM Cc1cc([C@@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)c(C)s1 ZINC000090716190 407171256 /nfs/dbraw/zinc/17/12/56/407171256.db2.gz PCGRVGSULZHOTQ-MRVPVSSYSA-N -1 0 308.363 1.532 50 0 DDAARM CCN(Cc1nc(C)no1)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055200167 407198443 /nfs/dbraw/zinc/19/84/43/407198443.db2.gz FSOPCZLCNGKBPB-UHFFFAOYSA-N -1 0 318.333 1.537 50 0 DDAARM Cc1nc2c(c(N[C@H](C)c3nnn[n-]3)n1)Cc1ccccc1OC2 ZINC000095516957 407214376 /nfs/dbraw/zinc/21/43/76/407214376.db2.gz VGSDFACXOLOUNH-SECBINFHSA-N -1 0 323.360 1.954 50 0 DDAARM O=C([O-])[C@@]12CN(C(=O)c3ccc[nH]3)C[C@@H]1c1ccccc1OC2 ZINC000096180818 407243235 /nfs/dbraw/zinc/24/32/35/407243235.db2.gz FITKGACYIYEETK-SJKOYZFVSA-N -1 0 312.325 1.718 50 0 DDAARM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1nncs1 ZINC000101775409 407315715 /nfs/dbraw/zinc/31/57/15/407315715.db2.gz ZBERXOXNVUFULE-LLVKDONJSA-N -1 0 315.358 1.511 50 0 DDAARM Nc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C(=O)Nc1ccccc1 ZINC000102916447 407329363 /nfs/dbraw/zinc/32/93/63/407329363.db2.gz OMYKKPFHAQECTN-ZDUSSCGKSA-N -1 0 322.324 1.129 50 0 DDAARM CCc1cccc(S(=O)(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000097097290 407279475 /nfs/dbraw/zinc/27/94/75/407279475.db2.gz DOBHONRSKOHNGJ-SNVBAGLBSA-N -1 0 309.395 1.186 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](C)n3cncn3)c12 ZINC000067909905 407290204 /nfs/dbraw/zinc/29/02/04/407290204.db2.gz WZSLXMCUCBEBPT-SSDOTTSWSA-N -1 0 318.362 1.963 50 0 DDAARM Cn1c(CNC(=O)c2cc(F)c([O-])c(F)c2)nnc1C1CCC1 ZINC000097378203 407293352 /nfs/dbraw/zinc/29/33/52/407293352.db2.gz KEBANWFXCWRFSQ-UHFFFAOYSA-N -1 0 322.315 1.996 50 0 DDAARM Cc1ncc2c(c1O)[C@H](c1c([O-])[nH]c(=S)n(C)c1=O)OC2 ZINC000100755758 407308433 /nfs/dbraw/zinc/30/84/33/407308433.db2.gz LOJBTEPBIJNKJX-SNVBAGLBSA-N -1 0 307.331 1.177 50 0 DDAARM CCn1ncnc1CN1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000215914694 407489301 /nfs/dbraw/zinc/48/93/01/407489301.db2.gz RKYJXIXHYHMPDO-GFCCVEGCSA-N -1 0 302.382 1.069 50 0 DDAARM Cn1c(=O)oc2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc21 ZINC000170621007 407457768 /nfs/dbraw/zinc/45/77/68/407457768.db2.gz QAVKTNXWQGKQCU-QWRGUYRKSA-N -1 0 316.313 1.737 50 0 DDAARM COc1ccc(NC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cc1 ZINC000170617969 407458376 /nfs/dbraw/zinc/45/83/76/407458376.db2.gz JHGVOQXEFAXNLA-CYBMUJFWSA-N -1 0 308.334 1.697 50 0 DDAARM O=C([O-])CN1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000218789785 407524647 /nfs/dbraw/zinc/52/46/47/407524647.db2.gz SKSBVCBISRBGEL-OAHLLOKOSA-N -1 0 301.346 1.059 50 0 DDAARM COc1ccc(CCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000129393555 407606989 /nfs/dbraw/zinc/60/69/89/407606989.db2.gz YLMAWNAEYXMAJD-CYBMUJFWSA-N -1 0 315.377 1.547 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2nccc3ccccc32)CCO1 ZINC000238057787 407877067 /nfs/dbraw/zinc/87/70/67/407877067.db2.gz HEAJAGXFHAYIJO-LBPRGKRZSA-N -1 0 300.314 1.551 50 0 DDAARM O=C([O-])[C@H]1CCCN1Cc1nc(CCc2ccccc2)no1 ZINC000238102270 407890816 /nfs/dbraw/zinc/89/08/16/407890816.db2.gz GUBPQSHCYQZVRB-CYBMUJFWSA-N -1 0 301.346 1.904 50 0 DDAARM CC(C)Oc1cccc(C(=O)Nc2ccn(CC(=O)[O-])n2)n1 ZINC000262692315 407900197 /nfs/dbraw/zinc/90/01/97/407900197.db2.gz CAJIEKWXNTVNAY-UHFFFAOYSA-N -1 0 304.306 1.402 50 0 DDAARM CCOc1ccc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000262914767 407969497 /nfs/dbraw/zinc/96/94/97/407969497.db2.gz DDCSRZQYDMAIMS-AWEZNQCLSA-N -1 0 307.346 1.330 50 0 DDAARM Cc1ccc(-n2cc(CN3CCOC[C@@H]3C(=O)[O-])cn2)cc1 ZINC000244899892 407945077 /nfs/dbraw/zinc/94/50/77/407945077.db2.gz ZSKHQLWQNCLYEK-OAHLLOKOSA-N -1 0 301.346 1.466 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ncccc2OC(C)C)C1 ZINC000263145644 408037773 /nfs/dbraw/zinc/03/77/73/408037773.db2.gz WZPIIVGBBGGYRZ-INIZCTEOSA-N -1 0 322.361 1.432 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000136123905 408078839 /nfs/dbraw/zinc/07/88/39/408078839.db2.gz JIEJXUXKXJXBNY-JTQLQIEISA-N -1 0 310.375 1.321 50 0 DDAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H](c2nccn2C)C2CC2)C1 ZINC000263341910 408111467 /nfs/dbraw/zinc/11/14/67/408111467.db2.gz NQVZVUBLEKZUJE-KGYLQXTDSA-N -1 0 320.393 1.623 50 0 DDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000268937154 408218351 /nfs/dbraw/zinc/21/83/51/408218351.db2.gz HBJIGJMPFATWHB-ICGCDAGXSA-N -1 0 307.321 1.835 50 0 DDAARM O=C([O-])C1(NC(=O)c2nccc3ccccc32)CCOCC1 ZINC000261819824 163709701 /nfs/dbraw/zinc/70/97/01/163709701.db2.gz AOSVZTWZHGCVGA-UHFFFAOYSA-N -1 0 300.314 1.598 50 0 DDAARM COc1ccc(C[C@]2(CCC(=O)[O-])CCC(=O)N2)cc1OC ZINC000299772072 410618387 /nfs/dbraw/zinc/61/83/87/410618387.db2.gz XMCISLDUJWIGTD-MRXNPFEDSA-N -1 0 307.346 1.760 50 0 DDAARM CCN(CC)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000133068887 196309352 /nfs/dbraw/zinc/30/93/52/196309352.db2.gz YEBFSQJBRWXJFO-CYBMUJFWSA-N -1 0 305.378 1.865 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000136478856 196537895 /nfs/dbraw/zinc/53/78/95/196537895.db2.gz QDAPNGOTABSXLO-NSHDSACASA-N -1 0 319.317 1.728 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cscn1 ZINC000105559364 418497694 /nfs/dbraw/zinc/49/76/94/418497694.db2.gz TVBDJPDMZYQWPM-UHFFFAOYSA-N -1 0 319.367 1.810 50 0 DDAARM O=C([O-])C1(NC(=O)c2c[nH]nc2-c2cccs2)CCOCC1 ZINC000426493280 419486170 /nfs/dbraw/zinc/48/61/70/419486170.db2.gz TXDHDEQFBATWGS-UHFFFAOYSA-N -1 0 321.358 1.502 50 0 DDAARM COCCCN(Cc1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CC1 ZINC000426726880 228599005 /nfs/dbraw/zinc/59/90/05/228599005.db2.gz MVPHRZMRFHSJTI-UHFFFAOYSA-N -1 0 324.352 1.991 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)CCO1 ZINC000299744937 229385245 /nfs/dbraw/zinc/38/52/45/229385245.db2.gz VPELVZPVQAXBHA-JTQLQIEISA-N -1 0 316.313 1.256 50 0 DDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 ZINC000299749002 229391980 /nfs/dbraw/zinc/39/19/80/229391980.db2.gz IVYFKBIRBYEEJE-LBPRGKRZSA-N -1 0 321.329 1.511 50 0 DDAARM Cc1cnccc1C=CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000493149666 420770157 /nfs/dbraw/zinc/77/01/57/420770157.db2.gz IUNWDRBVSHRZDG-MUBLQREKSA-N -1 0 313.361 1.633 50 0 DDAARM CN(C(=O)Cc1cnn(C)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000630186707 421944968 /nfs/dbraw/zinc/94/49/68/421944968.db2.gz BXWGCZFIZPUALK-UHFFFAOYSA-N -1 0 303.318 1.089 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000583650601 422209458 /nfs/dbraw/zinc/20/94/58/422209458.db2.gz PJZYUTKLWXSEJB-AWEZNQCLSA-N -1 0 323.345 1.085 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000583650514 422210433 /nfs/dbraw/zinc/21/04/33/422210433.db2.gz UVGJNEDHRDYRAU-LLVKDONJSA-N -1 0 307.346 1.712 50 0 DDAARM CCc1nc(C)c(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])s1 ZINC000655599786 424589047 /nfs/dbraw/zinc/58/90/47/424589047.db2.gz YLGHPJOCMQXBPI-NSHDSACASA-N -1 0 319.386 1.835 50 0 DDAARM Cc1cc(C(=O)N=c2[n-]nc3n2CCCC3)nn1[C@H](C)C1CC1 ZINC000329344931 278644872 /nfs/dbraw/zinc/64/48/72/278644872.db2.gz QSQJMYVIWJZTRN-LLVKDONJSA-N -1 0 314.393 1.765 50 0 DDAARM CC(C)c1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000088376813 280611893 /nfs/dbraw/zinc/61/18/93/280611893.db2.gz UWPUZEAYSXQUQR-ZDUSSCGKSA-N -1 0 313.375 1.284 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCO1 ZINC000262751017 297207850 /nfs/dbraw/zinc/20/78/50/297207850.db2.gz ISWLRYFDQFLAIW-OSAQELSMSA-N -1 0 303.358 1.840 50 0 DDAARM C[C@H](CN(Cc1ccccc1)C(=O)c1nccnc1N)C(=O)[O-] ZINC000095463858 298518201 /nfs/dbraw/zinc/51/82/01/298518201.db2.gz YUECKEHWHMWHBR-LLVKDONJSA-N -1 0 314.345 1.422 50 0 DDAARM C[C@H]1CN(C(=O)CN(CC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000034926608 300127367 /nfs/dbraw/zinc/12/73/67/300127367.db2.gz UGMWZAXHBOMSIQ-STQMWFEESA-N -1 0 306.362 1.213 50 0 DDAARM Cc1cc([N-][C@@]2(C(F)(F)F)N=C3SCCN3C2=O)no1 ZINC000004653791 301364943 /nfs/dbraw/zinc/36/49/43/301364943.db2.gz YYZIJSJBNYKSDZ-SECBINFHSA-N -1 0 306.269 1.599 50 0 DDAARM O=S(=O)([O-])c1cc2c(c3c(n2O)CCCC3)c2nonc21 ZINC000002810869 304768332 /nfs/dbraw/zinc/76/83/32/304768332.db2.gz IUBIZQFYKJKBLV-UHFFFAOYSA-N -1 0 309.303 1.540 50 0 DDAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)NC1CCCCC1 ZINC000071405372 337366814 /nfs/dbraw/zinc/36/68/14/337366814.db2.gz FAVZGTIURBCGKQ-SECBINFHSA-N -1 0 312.395 1.190 50 0 DDAARM CC(C)c1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])no1 ZINC000095361546 484017626 /nfs/dbraw/zinc/01/76/26/484017626.db2.gz GCSJJMVDMPGBOQ-LBPRGKRZSA-N -1 0 303.318 1.619 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)c2n[nH]c3c2CCC3)n1 ZINC000217170311 484144817 /nfs/dbraw/zinc/14/48/17/484144817.db2.gz UDFNHKMABRMRLO-UHFFFAOYSA-N -1 0 306.347 1.026 50 0 DDAARM Cn1cnnc1-c1cncc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000663048216 484625993 /nfs/dbraw/zinc/62/59/93/484625993.db2.gz JATRSKLQOCTZEB-NSHDSACASA-N -1 0 317.349 1.563 50 0 DDAARM Cn1nc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc1C1CC1 ZINC000663123295 484686784 /nfs/dbraw/zinc/68/67/84/484686784.db2.gz XLFOHBHTXPLAEO-UHFFFAOYSA-N -1 0 307.350 1.051 50 0 DDAARM CCn1nc(C)cc1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000685025228 486491077 /nfs/dbraw/zinc/49/10/77/486491077.db2.gz YHGRJNIGRXPXPX-KRWDZBQOSA-N -1 0 315.373 1.984 50 0 DDAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)[O-])cc1 ZINC000299750176 533909477 /nfs/dbraw/zinc/90/94/77/533909477.db2.gz MSBNCWVQMFVHGI-GXTWGEPZSA-N -1 0 318.373 1.418 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000299749236 534524801 /nfs/dbraw/zinc/52/48/01/534524801.db2.gz JNXUXHORKQCCCK-ZDUSSCGKSA-N -1 0 307.321 1.559 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328593655 527897754 /nfs/dbraw/zinc/89/77/54/527897754.db2.gz UBPROBSZRKGOEK-GQCTYLIASA-N -1 0 305.330 1.794 50 0 DDAARM CC(C)C[C@@H](C)OCCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299752382 528276301 /nfs/dbraw/zinc/27/63/01/528276301.db2.gz TYTZCDRYOMJEQG-CHWSQXEVSA-N -1 0 301.383 1.530 50 0 DDAARM Cc1cc2nc(CN3CCO[C@@H](C(F)(F)F)C3)cc(=O)n2[n-]1 ZINC000071750113 696392514 /nfs/dbraw/zinc/39/25/14/696392514.db2.gz APRFSEZTIBMYSM-SNVBAGLBSA-N -1 0 316.283 1.094 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)n[nH]2)c1C ZINC000584908195 771885216 /nfs/dbraw/zinc/88/52/16/771885216.db2.gz JHXJCBIVSAQAJF-UHFFFAOYSA-N -1 0 303.775 1.697 50 0 DDAARM CO[C@H](CS(=O)(=O)[N-]c1cc2ccccc2nn1)C1CC1 ZINC000585129572 771961876 /nfs/dbraw/zinc/96/18/76/771961876.db2.gz OCTFANPYXITENE-CYBMUJFWSA-N -1 0 307.375 1.797 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2Cl)c1 ZINC000095471804 185372786 /nfs/dbraw/zinc/37/27/86/185372786.db2.gz LLQWACJSUIAVKR-UHFFFAOYSA-N -1 0 324.695 1.978 50 0 DDAARM Cc1c(S(=O)(=O)[N-]c2ccn(C)n2)cnn1-c1ccccn1 ZINC000078902648 185126357 /nfs/dbraw/zinc/12/63/57/185126357.db2.gz PZALCELZHVPZLZ-UHFFFAOYSA-N -1 0 318.362 1.110 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000328593055 231234889 /nfs/dbraw/zinc/23/48/89/231234889.db2.gz MAAPIKHQDLABKP-NJELEJDNSA-N -1 0 317.341 1.794 50 0 DDAARM COc1ccc(CCCC(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000262208119 539275564 /nfs/dbraw/zinc/27/55/64/539275564.db2.gz XKMQIPOOJOJYJK-CABCVRRESA-N -1 0 321.373 1.718 50 0 DDAARM CC(C)N1CC[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000263258483 539276098 /nfs/dbraw/zinc/27/60/98/539276098.db2.gz PYVFBSKDHFPGHV-CYBMUJFWSA-N -1 0 319.361 1.193 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N1CCC(Cc2ccccc2F)CC1 ZINC000095395292 185352704 /nfs/dbraw/zinc/35/27/04/185352704.db2.gz UTTFTZVKODNYEA-UHFFFAOYSA-N -1 0 304.325 1.744 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccnc3ccccc23)CCO1 ZINC000255776423 282279574 /nfs/dbraw/zinc/27/95/74/282279574.db2.gz TXFLBZSZLHRUJK-YVACAVLKSA-N -1 0 312.325 1.560 50 0 DDAARM CC[C@H](C)C(=O)NCC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000095425249 185361558 /nfs/dbraw/zinc/36/15/58/185361558.db2.gz SZYHLZBMNUXHJM-JTQLQIEISA-N -1 0 322.361 1.559 50 0 DDAARM COc1cc(F)cc(S(=O)(=O)N(C)CCCC(=O)[O-])c1 ZINC000095467493 185372099 /nfs/dbraw/zinc/37/20/99/185372099.db2.gz BMGGILFBBLVDGY-UHFFFAOYSA-N -1 0 305.327 1.320 50 0 DDAARM Cc1noc(C)c1C[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237469128 186294027 /nfs/dbraw/zinc/29/40/27/186294027.db2.gz UYELOERJQSCHEF-SKDRFNHKSA-N -1 0 310.350 1.172 50 0 DDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000001926474 180902051 /nfs/dbraw/zinc/90/20/51/180902051.db2.gz YMTPGRMYKKKBTG-NSHDSACASA-N -1 0 316.279 1.481 50 0 DDAARM Cn1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c2ccccc21 ZINC000174441311 198335606 /nfs/dbraw/zinc/33/56/06/198335606.db2.gz NSNPWABAFOFUKV-NSHDSACASA-N -1 0 302.330 1.494 50 0 DDAARM CCC[C@@H](NC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)[O-] ZINC000004061941 181067939 /nfs/dbraw/zinc/06/79/39/181067939.db2.gz NYRZXCKYQUEKOL-GFCCVEGCSA-N -1 0 319.313 1.411 50 0 biogenic DDAARM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000095970469 295879730 /nfs/dbraw/zinc/87/97/30/295879730.db2.gz GBUJOSVKZBRJJK-NWDGAFQWSA-N -1 0 304.346 1.219 50 0 DDAARM COc1ccc(CNC(=O)N[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000004657731 181132869 /nfs/dbraw/zinc/13/28/69/181132869.db2.gz PIJGYUCXZCXNMM-ZDUSSCGKSA-N -1 0 310.350 1.612 50 0 DDAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000004792286 181152581 /nfs/dbraw/zinc/15/25/81/181152581.db2.gz KDQLNJPBTLIYNW-YPMHNXCESA-N -1 0 322.361 1.527 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2n(n1)CCO2 ZINC000585134732 354811856 /nfs/dbraw/zinc/81/18/56/354811856.db2.gz HZVSOSLHVNKRBN-JLLWLGSASA-N -1 0 305.334 1.133 50 0 DDAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCC(=O)[O-])c1 ZINC000005020800 181191867 /nfs/dbraw/zinc/19/18/67/181191867.db2.gz SVFLBICTLAHTAV-UHFFFAOYSA-N -1 0 309.274 1.063 50 0 DDAARM CNC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237156047 202169672 /nfs/dbraw/zinc/16/96/72/202169672.db2.gz LFULUJFLHVPBGN-YSKGHYERSA-N -1 0 302.330 1.135 50 0 DDAARM CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000237152166 202168595 /nfs/dbraw/zinc/16/85/95/202168595.db2.gz UMNCSINELYUZEX-VIFPVBQESA-N -1 0 310.737 1.236 50 0 DDAARM O=C([O-])C[C@H]1COCCN1Cc1cnn(-c2ccccc2F)c1 ZINC000072152874 304085478 /nfs/dbraw/zinc/08/54/78/304085478.db2.gz YBPNSAQJTWKGOG-ZDUSSCGKSA-N -1 0 319.336 1.687 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000238063444 202432031 /nfs/dbraw/zinc/43/20/31/202432031.db2.gz AILOSVSSSGKQCD-JSGCOSHPSA-N -1 0 316.357 1.653 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000238087201 202438464 /nfs/dbraw/zinc/43/84/64/202438464.db2.gz ADOBIFRENDJSPQ-GFCCVEGCSA-N -1 0 304.281 1.096 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000006456938 181342737 /nfs/dbraw/zinc/34/27/37/181342737.db2.gz LBZSBIPEXOCWNR-UHFFFAOYSA-N -1 0 318.354 1.789 50 0 DDAARM CC1(C)OCC[C@@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000621539556 364904894 /nfs/dbraw/zinc/90/48/94/364904894.db2.gz QOYUANCBMJBITN-GFCCVEGCSA-N -1 0 307.346 1.695 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)Cc2csc3ccccc23)CC1 ZINC000262075896 203192695 /nfs/dbraw/zinc/19/26/95/203192695.db2.gz JNQADXHVIURATA-UHFFFAOYSA-N -1 0 319.382 1.882 50 0 DDAARM C[C@@H](Cc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1)C(=O)[O-] ZINC000262723304 203392628 /nfs/dbraw/zinc/39/26/28/203392628.db2.gz FPUZSSLMARHPIM-JTQLQIEISA-N -1 0 317.345 1.497 50 0 DDAARM COc1ccc([C@@H](NC(=O)[C@@H]2CCCO2)C(=O)[O-])cc1Cl ZINC000263038250 203431091 /nfs/dbraw/zinc/43/10/91/203431091.db2.gz NEWHTOXCPHCRSA-NWDGAFQWSA-N -1 0 313.737 1.770 50 0 DDAARM COc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc2c1OCCO2 ZINC000095989616 193481045 /nfs/dbraw/zinc/48/10/45/193481045.db2.gz FVKVHDYZTDTLDQ-MRXNPFEDSA-N -1 0 321.329 1.450 50 0 DDAARM C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000013072262 181826585 /nfs/dbraw/zinc/82/65/85/181826585.db2.gz HQIZPBUPJKBAEH-JTQLQIEISA-N -1 0 306.343 1.819 50 0 DDAARM CCc1nn2c([n-]1)nc(CSc1nccc(C)n1)cc2=O ZINC000017056875 182073927 /nfs/dbraw/zinc/07/39/27/182073927.db2.gz DPJZJYXGDCZJHA-UHFFFAOYSA-N -1 0 302.363 1.783 50 0 DDAARM COc1cccc(CNC(=O)c2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000020739667 182245852 /nfs/dbraw/zinc/24/58/52/182245852.db2.gz LKHOACYYHGVBLB-UHFFFAOYSA-N -1 0 313.317 1.077 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1nc(-c2ccccn2)no1 ZINC000238067324 304184837 /nfs/dbraw/zinc/18/48/37/304184837.db2.gz QCSRQFDELMMMQP-LLVKDONJSA-N -1 0 316.317 1.140 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000238084524 304186584 /nfs/dbraw/zinc/18/65/84/304186584.db2.gz HFTROVKQQCWGOH-CYBMUJFWSA-N -1 0 302.330 1.503 50 0 DDAARM O=C(NCc1ccccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621249 193802458 /nfs/dbraw/zinc/80/24/58/193802458.db2.gz WKNIIUHSPCJVCQ-UHFFFAOYSA-N -1 0 321.336 1.588 50 0 DDAARM COC(=O)c1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000101606320 193827505 /nfs/dbraw/zinc/82/75/05/193827505.db2.gz QTSFWMJDDBNAOZ-LLVKDONJSA-N -1 0 300.274 1.048 50 0 DDAARM COc1cc(CCC(=O)N2CCC(C(=O)[O-])CC2)cc(OC)c1 ZINC000268907679 207075746 /nfs/dbraw/zinc/07/57/46/207075746.db2.gz DQSFGSUEBAHHBG-UHFFFAOYSA-N -1 0 321.373 1.960 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000268928559 207094342 /nfs/dbraw/zinc/09/43/42/207094342.db2.gz XKHRKWGXEKMIHW-LALPHHSUSA-N -1 0 317.341 1.746 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@H](COCc2ccccc2)C1 ZINC000268944279 207110565 /nfs/dbraw/zinc/11/05/65/207110565.db2.gz LSKLOYGKNWRJPO-RRFJBIMHSA-N -1 0 303.358 1.772 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000268964795 207128047 /nfs/dbraw/zinc/12/80/47/207128047.db2.gz CCLHIPDIJIYLOW-CQSZACIVSA-N -1 0 300.314 1.607 50 0 DDAARM COc1ccccc1C[C@@H](C)CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268967778 207132194 /nfs/dbraw/zinc/13/21/94/207132194.db2.gz FEOYWWFDOWRPDZ-TZMCWYRMSA-N -1 0 321.373 1.576 50 0 DDAARM Cc1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)n(C)n1 ZINC000058277714 184098550 /nfs/dbraw/zinc/09/85/50/184098550.db2.gz FAFIPSSFBIWJCO-UHFFFAOYSA-N -1 0 308.363 1.352 50 0 DDAARM C=C1c2ccccc2C(=O)N1CC(=O)[N-]O[C@H]1CCCCO1 ZINC000058418894 184115334 /nfs/dbraw/zinc/11/53/34/184115334.db2.gz DSISVGNSPPILSF-HNNXBMFYSA-N -1 0 302.330 1.688 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000062132436 184207933 /nfs/dbraw/zinc/20/79/33/184207933.db2.gz IVTQEZKBRZUZLI-ZETCQYMHSA-N -1 0 307.730 1.574 50 0 DDAARM CC[C@H](C(=O)N1CCCn2nc(C(=O)[O-])cc2C1)n1cccn1 ZINC000065424912 184342588 /nfs/dbraw/zinc/34/25/88/184342588.db2.gz DLTQOKLEOBXVBL-CYBMUJFWSA-N -1 0 317.349 1.161 50 0 DDAARM Cc1nnc(CN(C)CCC(=O)Nc2ccsc2C(=O)[O-])o1 ZINC000244678852 256604760 /nfs/dbraw/zinc/60/47/60/256604760.db2.gz ILJNTFMYMFYGBZ-UHFFFAOYSA-N -1 0 324.362 1.598 50 0 DDAARM CSCC[C@@H](NC(=O)N(C)Cc1cc(C)on1)C(=O)[O-] ZINC000426548473 533608461 /nfs/dbraw/zinc/60/84/61/533608461.db2.gz ICNKRTPXUDLWJA-SNVBAGLBSA-N -1 0 301.368 1.331 50 0 DDAARM COC(=O)c1ccccc1N(C)C(=O)c1nccnc1C(=O)[O-] ZINC000071282859 292025064 /nfs/dbraw/zinc/02/50/64/292025064.db2.gz QDYVHYVPWBOION-UHFFFAOYSA-N -1 0 315.285 1.238 50 0 DDAARM CCN1C[C@@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)CC1=O ZINC000068297159 406630874 /nfs/dbraw/zinc/63/08/74/406630874.db2.gz VIULRVVISBGWCX-JTQLQIEISA-N -1 0 316.317 1.249 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]n2nnc3ccccc3c2=O)cc1 ZINC000000482104 406650592 /nfs/dbraw/zinc/65/05/92/406650592.db2.gz PDQKVWGIDGCESA-UHFFFAOYSA-N -1 0 316.342 1.032 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000000479891 406650803 /nfs/dbraw/zinc/65/08/03/406650803.db2.gz RDXWKDZVGUUQBL-UHFFFAOYSA-N -1 0 320.370 1.903 50 0 DDAARM COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OC ZINC000001168370 406666908 /nfs/dbraw/zinc/66/69/08/406666908.db2.gz IWKMQOAMKXXCAZ-IZZDOVSWSA-N -1 0 323.326 1.825 50 0 DDAARM CC(C)(C)OC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002516939 406690509 /nfs/dbraw/zinc/69/05/09/406690509.db2.gz UDZLUXXCXDIIOK-QMMMGPOBSA-N -1 0 304.343 1.489 50 0 DDAARM CC(C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)[O-] ZINC000002560872 406691591 /nfs/dbraw/zinc/69/15/91/406691591.db2.gz IBABAURSJXMCQJ-QWRGUYRKSA-N -1 0 316.398 1.761 50 0 DDAARM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000069595993 406739179 /nfs/dbraw/zinc/73/91/79/406739179.db2.gz GSVSBSLPCXENHG-LLVKDONJSA-N -1 0 322.386 1.773 50 0 DDAARM C[C@H](NC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)[O-] ZINC000006275369 406739831 /nfs/dbraw/zinc/73/98/31/406739831.db2.gz HDUMCWYBGMYVIH-JTQLQIEISA-N -1 0 311.769 1.645 50 0 DDAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000007050958 406748605 /nfs/dbraw/zinc/74/86/05/406748605.db2.gz PWUULTPEIUBWSM-UHFFFAOYSA-N -1 0 317.413 1.952 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 ZINC000012505333 406847139 /nfs/dbraw/zinc/84/71/39/406847139.db2.gz FJUSTOBRWWALKK-UHFFFAOYSA-N -1 0 304.755 1.220 50 0 DDAARM O=C([O-])Cc1csc(NC(=O)Cc2ccc3c(c2)CCO3)n1 ZINC000013406763 406860811 /nfs/dbraw/zinc/86/08/11/406860811.db2.gz WAKMQQYCUDPHBP-UHFFFAOYSA-N -1 0 318.354 1.886 50 0 DDAARM CCN(CC)C(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CS2 ZINC000021925321 406889402 /nfs/dbraw/zinc/88/94/02/406889402.db2.gz FCAWCUXRAUNQCF-UHFFFAOYSA-N -1 0 322.386 1.692 50 0 DDAARM O=C([O-])CC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000035605665 406973308 /nfs/dbraw/zinc/97/33/08/406973308.db2.gz GDQVXICQDIDELI-UHFFFAOYSA-N -1 0 301.339 1.701 50 0 DDAARM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1cccnc1 ZINC000078773349 407045371 /nfs/dbraw/zinc/04/53/71/407045371.db2.gz ALSWNUQNIOTUQE-UHFFFAOYSA-N -1 0 319.386 1.719 50 0 DDAARM CCC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000036838194 406983979 /nfs/dbraw/zinc/98/39/79/406983979.db2.gz IVYGAYFMZLYYGH-JTQLQIEISA-N -1 0 321.782 1.880 50 0 DDAARM CCC[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1nnn[n-]1 ZINC000084740424 407094528 /nfs/dbraw/zinc/09/45/28/407094528.db2.gz MQGNUAQEXFPMRV-NWDGAFQWSA-N -1 0 301.350 1.723 50 0 DDAARM CCS(=O)(=O)C(C)=C([O-])c1[nH]c(C)c(C(=O)OC)c1C ZINC000049003204 407112860 /nfs/dbraw/zinc/11/28/60/407112860.db2.gz BOQBZJKXICATBE-SECBINFHSA-N -1 0 301.364 1.424 50 0 DDAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CCOc1ccccc1 ZINC000096152018 407241271 /nfs/dbraw/zinc/24/12/71/407241271.db2.gz INQJZQJUBMEHEC-HNNXBMFYSA-N -1 0 315.329 1.389 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n1 ZINC000122976454 407316066 /nfs/dbraw/zinc/31/60/66/407316066.db2.gz WZCAWFQMQLHZPC-GXSJLCMTSA-N -1 0 321.283 1.988 50 0 DDAARM Cc1ccc(-n2[n-]c(C(=O)Nc3ncccc3O)cc2=O)cc1 ZINC000097085044 407279316 /nfs/dbraw/zinc/27/93/16/407279316.db2.gz BUAQZQWWXCOOIA-UHFFFAOYSA-N -1 0 310.313 1.827 50 0 DDAARM CCc1nc(C)c([C@@H]2CC(=O)Nc3c2c(C)nn3CC(=O)[O-])[nH]1 ZINC000067833810 407286185 /nfs/dbraw/zinc/28/61/85/407286185.db2.gz BDFZZESEFWPZGI-SECBINFHSA-N -1 0 317.349 1.344 50 0 DDAARM Cn1c(=O)c(C(=O)Nc2ncccc2O)c([O-])c2ccccc21 ZINC000100504435 407308027 /nfs/dbraw/zinc/30/80/27/407308027.db2.gz PMPNTJQPLDGDLF-UHFFFAOYSA-N -1 0 311.297 1.597 50 0 aggregator DDAARM Cc1noc(C)c1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000109232128 407396375 /nfs/dbraw/zinc/39/63/75/407396375.db2.gz KLLZQCFIIUYHBP-UHFFFAOYSA-N -1 0 316.360 1.530 50 0 DDAARM CCC(=O)Nc1ccc([O-])c(C(=O)N=c2sccn2C)c1 ZINC000254576749 407468109 /nfs/dbraw/zinc/46/81/09/407468109.db2.gz AOENMTSXOVQYQO-UHFFFAOYSA-N -1 0 305.359 1.882 50 0 DDAARM CC(C)c1cc(CN2CCc3c(c(C(=O)[O-])nn3C)C2)on1 ZINC000215945488 407490309 /nfs/dbraw/zinc/49/03/09/407490309.db2.gz SMEZETXJUQWXMT-UHFFFAOYSA-N -1 0 304.350 1.788 50 0 DDAARM Cn1c(=O)oc2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])ccc21 ZINC000170621006 407457976 /nfs/dbraw/zinc/45/79/76/407457976.db2.gz QAVKTNXWQGKQCU-MNOVXSKESA-N -1 0 316.313 1.737 50 0 DDAARM O=C(CN1c2ccccc2CCCC1=O)[N-]O[C@@H]1CCCCO1 ZINC000170620522 407458147 /nfs/dbraw/zinc/45/81/47/407458147.db2.gz VRPNTLXVBDZPHY-QGZVFWFLSA-N -1 0 318.373 1.930 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000128514588 407543706 /nfs/dbraw/zinc/54/37/06/407543706.db2.gz NTKINRVJAJKEHY-SECBINFHSA-N -1 0 307.737 1.925 50 0 DDAARM CN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1(C(N)=O)CCCC1 ZINC000152343867 407617156 /nfs/dbraw/zinc/61/71/56/407617156.db2.gz LARLBXFWKLPUPZ-UHFFFAOYSA-N -1 0 319.386 1.987 50 0 DDAARM CC(C)(C)c1noc(CCCC(=O)N2CC[C@H](C(=O)[O-])C2)n1 ZINC000236662490 407743710 /nfs/dbraw/zinc/74/37/10/407743710.db2.gz PZJALHCHPIPJLH-JTQLQIEISA-N -1 0 309.366 1.623 50 0 DDAARM CC1CCC(N2C[C@H](C(=O)N(C)CCC(=O)[O-])CC2=O)CC1 ZINC000236668251 407746136 /nfs/dbraw/zinc/74/61/36/407746136.db2.gz BOHRHFAWMFZMBN-OTTFEQOBSA-N -1 0 310.394 1.347 50 0 DDAARM CCn1nc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1=O ZINC000237027948 407789941 /nfs/dbraw/zinc/78/99/41/407789941.db2.gz CJDCSJDAAMWOSZ-DRZSPHRISA-N -1 0 319.361 1.121 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000238080042 407885258 /nfs/dbraw/zinc/88/52/58/407885258.db2.gz ONSUYGWMWOEDNZ-CYBMUJFWSA-N -1 0 303.293 1.905 50 0 DDAARM O=C([O-])CN(C(=O)Cc1cn2ccsc2n1)C1CCOCC1 ZINC000238101126 407889662 /nfs/dbraw/zinc/88/96/62/407889662.db2.gz VIJKJZIRRKNVGO-UHFFFAOYSA-N -1 0 323.374 1.031 50 0 DDAARM COc1cc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)on1 ZINC000118952226 407964560 /nfs/dbraw/zinc/96/45/60/407964560.db2.gz BUVDYXDHOQFKBT-UHFFFAOYSA-N -1 0 317.280 1.784 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000263180500 408047512 /nfs/dbraw/zinc/04/75/12/408047512.db2.gz VGVPJMVACJFHDV-UNQGMJICSA-N -1 0 321.348 1.925 50 0 DDAARM Cc1nc(C2CC2)oc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000262990792 407995583 /nfs/dbraw/zinc/99/55/83/407995583.db2.gz KCCBLRZCRCSLGC-UHFFFAOYSA-N -1 0 321.358 1.988 50 0 DDAARM C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263048857 408011387 /nfs/dbraw/zinc/01/13/87/408011387.db2.gz QVJBBFAFVKGKTN-NSHDSACASA-N -1 0 306.362 1.829 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000263300419 408094986 /nfs/dbraw/zinc/09/49/86/408094986.db2.gz DDPCKEGKHNUJHP-AAEUAGOBSA-N -1 0 321.373 1.867 50 0 DDAARM COC(=O)[C@@H](C)CS(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182489812 408178508 /nfs/dbraw/zinc/17/85/08/408178508.db2.gz GNVARJMVACGTDZ-JTQLQIEISA-N -1 0 324.358 1.892 50 0 DDAARM CCC[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000162134870 408675011 /nfs/dbraw/zinc/67/50/11/408675011.db2.gz HXCCOKRNBQNBAU-STQMWFEESA-N -1 0 301.350 1.471 50 0 DDAARM CCO[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262081567 163763675 /nfs/dbraw/zinc/76/36/75/163763675.db2.gz BFCWAANGOFAZEQ-QMTHXVAHSA-N -1 0 304.346 1.705 50 0 DDAARM COc1nc2ccc([N-]S(=O)(=O)c3cn[nH]c3)cc2s1 ZINC000330031826 410524063 /nfs/dbraw/zinc/52/40/63/410524063.db2.gz DTZVBKHOXFTZIP-UHFFFAOYSA-N -1 0 310.360 1.829 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000133069334 196309143 /nfs/dbraw/zinc/30/91/43/196309143.db2.gz TVNJYRJGODQZPI-LSDHHAIUSA-N -1 0 318.373 1.577 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ncnc2[nH]cnc21 ZINC000028249473 415177491 /nfs/dbraw/zinc/17/74/91/415177491.db2.gz DZODHOJNYWWJNU-UHFFFAOYSA-N -1 0 319.346 1.471 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1c[nH]c2ncccc12 ZINC000650232192 423092648 /nfs/dbraw/zinc/09/26/48/423092648.db2.gz PMYBMTBNCYUGJD-PSASIEDQSA-N -1 0 309.347 1.189 50 0 DDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000041096157 418415580 /nfs/dbraw/zinc/41/55/80/418415580.db2.gz ACUIPXZKGGRTOV-UHFFFAOYSA-N -1 0 316.338 2.297 50 0 DDAARM Cc1cc(C)n(CC(=O)n2cc(C(=O)c3ccccc3[O-])cn2)n1 ZINC000044868091 418430960 /nfs/dbraw/zinc/43/09/60/418430960.db2.gz ZYDVEFTZTDSSBW-UHFFFAOYSA-N -1 0 324.340 1.973 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000178257297 221860649 /nfs/dbraw/zinc/86/06/49/221860649.db2.gz MULUMAXDIVZOTN-MRVPVSSYSA-N -1 0 318.251 1.569 50 0 DDAARM CC(C)c1noc2ncc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc21 ZINC000178266623 221861334 /nfs/dbraw/zinc/86/13/34/221861334.db2.gz DEUPHNCXLMADCX-SECBINFHSA-N -1 0 303.318 1.893 50 0 DDAARM CC[C@@H](C(=O)Nc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1 ZINC000101809732 418494377 /nfs/dbraw/zinc/49/43/77/418494377.db2.gz VGCIRUNFFPAXGR-GFCCVEGCSA-N -1 0 311.345 1.858 50 0 DDAARM O=c1cc(CSc2ccc3c(c2)OCCO3)nc2[n-]cnn21 ZINC000103100425 418496527 /nfs/dbraw/zinc/49/65/27/418496527.db2.gz WTBKZLZLDMLZQL-UHFFFAOYSA-N -1 0 316.342 1.481 50 0 DDAARM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000112158639 418501411 /nfs/dbraw/zinc/50/14/11/418501411.db2.gz SODHGYYQCIEIRT-MRVPVSSYSA-N -1 0 318.782 1.355 50 0 DDAARM Cn1cccc1C(=O)N1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426493147 419485052 /nfs/dbraw/zinc/48/50/52/419485052.db2.gz IUGAKGFNDGOYMP-GFCCVEGCSA-N -1 0 316.361 1.326 50 0 DDAARM C[N@H+](CC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1)C1CCCC1 ZINC000426618379 419519009 /nfs/dbraw/zinc/51/90/09/419519009.db2.gz QKVJXLUVTJLYRQ-OAHLLOKOSA-N -1 0 306.362 1.509 50 0 DDAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N2CCSCC2)c1 ZINC000426514830 419495642 /nfs/dbraw/zinc/49/56/42/419495642.db2.gz OZQQPNHBFGVYBB-UHFFFAOYSA-N -1 0 310.375 1.316 50 0 DDAARM O=C([O-])[C@H]1C=CCN1C(=O)CCc1nc2cc(F)ccc2[nH]1 ZINC000426517559 419496224 /nfs/dbraw/zinc/49/62/24/419496224.db2.gz JLAWWKGFBLWNBL-GFCCVEGCSA-N -1 0 303.293 1.486 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)OCCO3)C1 ZINC000299744961 229384211 /nfs/dbraw/zinc/38/42/11/229384211.db2.gz QHNFPPUBGHFJLG-INIZCTEOSA-N -1 0 305.330 1.324 50 0 DDAARM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000299750753 229394342 /nfs/dbraw/zinc/39/43/42/229394342.db2.gz OGOFVYIGIXRJQK-JKOKRWQUSA-N -1 0 304.346 1.043 50 0 DDAARM Cc1cc([C@@H](NC(=O)CN2CCCCC2=O)C(=O)[O-])ccc1F ZINC000630189303 421947937 /nfs/dbraw/zinc/94/79/37/421947937.db2.gz KVDYUOJSDPERJB-OAHLLOKOSA-N -1 0 322.336 1.389 50 0 DDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000630252904 421989971 /nfs/dbraw/zinc/98/99/71/421989971.db2.gz QGKKUCMMSIYYBE-WMLDXEAASA-N -1 0 303.358 1.809 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C1 ZINC000316901655 271020039 /nfs/dbraw/zinc/02/00/39/271020039.db2.gz UFQZVMLULHEIOM-TXNVCOODSA-N -1 0 303.314 1.752 50 0 DDAARM CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)N(C)C1=S ZINC000005904972 279246945 /nfs/dbraw/zinc/24/69/45/279246945.db2.gz MHBDKGUKFBLACC-WQLSENKSSA-N -1 0 320.370 1.570 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000013073701 297063283 /nfs/dbraw/zinc/06/32/83/297063283.db2.gz WDMONYUVESKOBB-RKDXNWHRSA-N -1 0 317.338 1.322 50 0 DDAARM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)C3CC3)C[C@H]21 ZINC000095374190 295269018 /nfs/dbraw/zinc/26/90/18/295269018.db2.gz JAIVBJQZGFFIBZ-CXAGYDPISA-N -1 0 317.341 1.494 50 0 DDAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000299750754 298217833 /nfs/dbraw/zinc/21/78/33/298217833.db2.gz OGOFVYIGIXRJQK-VHRBIJSZSA-N -1 0 304.346 1.043 50 0 DDAARM C[C@H]1CCc2sc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2C1 ZINC000088373653 300091807 /nfs/dbraw/zinc/09/18/07/300091807.db2.gz UBOATGWKARPJEY-GXSJLCMTSA-N -1 0 309.387 1.799 50 0 DDAARM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC000530207820 303183874 /nfs/dbraw/zinc/18/38/74/303183874.db2.gz RLAAEQVGBWUVBW-PXAZEXFGSA-N -1 0 320.389 1.812 50 0 DDAARM CCCCc1nc(C)cc(NCCN=c2[n-]nc(C)s2)n1 ZINC000534644195 334306536 /nfs/dbraw/zinc/30/65/36/334306536.db2.gz IIDPEYLBQDMSPE-UHFFFAOYSA-N -1 0 306.439 1.655 50 0 DDAARM CC1(C)C[C@@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000534637749 334309884 /nfs/dbraw/zinc/30/98/84/334309884.db2.gz RFSWAJSXWMBVFX-ZDUSSCGKSA-N -1 0 315.377 1.688 50 0 DDAARM Cc1c(C(=O)NCc2cc(C3CC3)on2)cnc2cc(=O)[n-]n21 ZINC000534671592 334320566 /nfs/dbraw/zinc/32/05/66/334320566.db2.gz KLQRAABNIHIESR-UHFFFAOYSA-N -1 0 313.317 1.539 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2ccc3c(c2)CCO3)n1 ZINC000090932437 484012701 /nfs/dbraw/zinc/01/27/01/484012701.db2.gz ZOUVFCVSGUXZIO-UHFFFAOYSA-N -1 0 304.327 1.706 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2OCCc3ccccc32)n1 ZINC000170000595 490679900 /nfs/dbraw/zinc/67/99/00/490679900.db2.gz JVTHHQVPIZRVQJ-CYBMUJFWSA-N -1 0 318.354 1.772 50 0 DDAARM O=C([O-])C1(NC(=O)Cc2ccc3c(c2)OCCO3)CCCC1 ZINC000299749403 534483322 /nfs/dbraw/zinc/48/33/22/534483322.db2.gz KEXNFBJKTBFUFT-UHFFFAOYSA-N -1 0 305.330 1.514 50 0 DDAARM CC(C)Oc1ccccc1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299751802 528247186 /nfs/dbraw/zinc/24/71/86/528247186.db2.gz RWCQGEXPNPWNJX-AWEZNQCLSA-N -1 0 321.373 1.718 50 0 DDAARM CCOc1ccc2c(c1)C[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)CO2 ZINC000299743111 528619609 /nfs/dbraw/zinc/61/96/09/528619609.db2.gz LVOJEXXRNVAFHH-WCQYABFASA-N -1 0 319.357 1.570 50 0 DDAARM CCCC[C@H](CC(=O)[O-])NC(=O)N1CCC(n2cnnc2)CC1 ZINC000426422779 528897304 /nfs/dbraw/zinc/89/73/04/528897304.db2.gz FSWXMOJPIKCWRL-GFCCVEGCSA-N -1 0 323.397 1.658 50 0 DDAARM Cc1cc2ncc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)c(C)n2n1 ZINC000263524744 698511642 /nfs/dbraw/zinc/51/16/42/698511642.db2.gz STIVYCUTALTZLH-JQWIXIFHSA-N -1 0 316.361 1.671 50 0 DDAARM CC1=C(C(=O)NCCOc2cccc(C(=O)[O-])c2)OCCO1 ZINC000952966974 721529040 /nfs/dbraw/zinc/52/90/40/721529040.db2.gz YBIMVBIRMHLUJE-UHFFFAOYSA-N -1 0 307.302 1.158 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCN1CCCC1=O ZINC000952989772 721533183 /nfs/dbraw/zinc/53/31/83/721533183.db2.gz SJSJYLJOPJASFQ-AWEZNQCLSA-N -1 0 318.373 1.201 50 0 DDAARM O=C([O-])CC1(NC(=O)Cc2cn3ccccc3n2)CCCC1 ZINC000262093482 539275397 /nfs/dbraw/zinc/27/53/97/539275397.db2.gz IFOODDLFEICETB-UHFFFAOYSA-N -1 0 301.346 1.781 50 0 DDAARM CCn1ccnc1[C@H](C)NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263345779 539276063 /nfs/dbraw/zinc/27/60/63/539276063.db2.gz OOMICLCUXISSBS-SDDRHHMPSA-N -1 0 308.382 1.716 50 0 DDAARM CC(C)S(=O)(=O)c1ccccc1C(=O)NCCCC(=O)[O-] ZINC000095389817 185351268 /nfs/dbraw/zinc/35/12/68/185351268.db2.gz SOXYMGPBLOOYDU-UHFFFAOYSA-N -1 0 313.375 1.463 50 0 DDAARM COc1ccc(-c2cn(CCn3cccn3)nn2)cc1C(=O)[O-] ZINC000095391770 185351924 /nfs/dbraw/zinc/35/19/24/185351924.db2.gz NBRASVTWGOEFKQ-UHFFFAOYSA-N -1 0 313.317 1.549 50 0 DDAARM O=C([O-])CCN(C(=O)C1=NO[C@H](c2ccccc2)C1)C1CC1 ZINC000095424466 185361491 /nfs/dbraw/zinc/36/14/91/185361491.db2.gz ZPNLLIGYQGPGJY-AWEZNQCLSA-N -1 0 302.330 1.970 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 ZINC000226087543 201765702 /nfs/dbraw/zinc/76/57/02/201765702.db2.gz SXJZTCZQESUJDQ-UHFFFAOYSA-N -1 0 301.339 1.452 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2cc3c(s2)CCOC3)n1 ZINC000181793497 199352410 /nfs/dbraw/zinc/35/24/10/199352410.db2.gz LOQRJPGGZSMMES-UHFFFAOYSA-N -1 0 307.331 1.354 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000269082806 295799742 /nfs/dbraw/zinc/79/97/42/295799742.db2.gz IHVVUCXSHDMRAX-FZMZJTMJSA-N -1 0 324.352 1.131 50 0 DDAARM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000152465256 186075864 /nfs/dbraw/zinc/07/58/64/186075864.db2.gz QZPJORJMQOZNJM-CPCISQLKSA-N -1 0 312.416 1.959 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000155901167 186121735 /nfs/dbraw/zinc/12/17/35/186121735.db2.gz RTNWHNYOSZWPKK-SMDDNHRTSA-N -1 0 324.352 1.131 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237465626 186294059 /nfs/dbraw/zinc/29/40/59/186294059.db2.gz ASFMQEBFHJUJDL-MRVPVSSYSA-N -1 0 305.334 1.689 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O ZINC000000114663 180697114 /nfs/dbraw/zinc/69/71/14/180697114.db2.gz RPBFQPZLTBATDV-UHFFFAOYSA-N -1 0 324.292 1.620 50 0 DDAARM CCn1[n-]c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C)C2)cc1=O ZINC000076017699 353390827 /nfs/dbraw/zinc/39/08/27/353390827.db2.gz ZHMAPBFGMDEUHK-WFASDCNBSA-N -1 0 315.373 1.583 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cscn2)CC1 ZINC000072478527 304035026 /nfs/dbraw/zinc/03/50/26/304035026.db2.gz LNHWLPOUWUOHQT-UHFFFAOYSA-N -1 0 306.347 1.056 50 0 DDAARM Cc1noc(C)c1C(=O)Nc1nnc(SCC(=O)[O-])s1 ZINC000004107223 181074255 /nfs/dbraw/zinc/07/42/55/181074255.db2.gz KTWRARWYLOWPTI-UHFFFAOYSA-N -1 0 314.348 1.572 50 0 DDAARM O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000585134171 354811367 /nfs/dbraw/zinc/81/13/67/354811367.db2.gz GLAOVVJGMWSTPK-SMDDNHRTSA-N -1 0 317.345 1.001 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N(C)CCCC(=O)[O-])ccc21 ZINC000237029960 202128488 /nfs/dbraw/zinc/12/84/88/202128488.db2.gz BLNLNIPYAUSAOV-UHFFFAOYSA-N -1 0 304.346 1.532 50 0 DDAARM COCc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])no1 ZINC000237241167 202201858 /nfs/dbraw/zinc/20/18/58/202201858.db2.gz GTECHZZKWXSQMJ-CQSZACIVSA-N -1 0 316.313 1.473 50 0 DDAARM COc1cc(C2(C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)ccc1C ZINC000237287546 202219106 /nfs/dbraw/zinc/21/91/06/202219106.db2.gz KIMVMSQSGRFCGG-LBPRGKRZSA-N -1 0 303.358 1.968 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cc2ccccc2cc1O ZINC000220398990 304085088 /nfs/dbraw/zinc/08/50/88/304085088.db2.gz OMLPHSLPFBVQNN-ZDUSSCGKSA-N -1 0 315.325 1.861 50 0 DDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237711694 202334482 /nfs/dbraw/zinc/33/44/82/202334482.db2.gz KBMKEOPXPCSDRC-MRXNPFEDSA-N -1 0 316.361 1.591 50 0 DDAARM Cc1nc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)n[nH]1 ZINC000237676582 202325524 /nfs/dbraw/zinc/32/55/24/202325524.db2.gz WWFWZGQXMLHRKP-GFCCVEGCSA-N -1 0 300.318 1.327 50 0 DDAARM Cn1nccc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237674218 202325880 /nfs/dbraw/zinc/32/58/80/202325880.db2.gz XSXGHPKSDOGFLP-UHFFFAOYSA-N -1 0 313.357 1.679 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000263180496 304095578 /nfs/dbraw/zinc/09/55/78/304095578.db2.gz VGVPJMVACJFHDV-NGFQHRJXSA-N -1 0 321.348 1.925 50 0 DDAARM O=C([N-]S(=O)(=O)Nc1cccnc1)c1c[nH]c2ccccc12 ZINC000006672496 181368758 /nfs/dbraw/zinc/36/87/58/181368758.db2.gz DJMZNCAKMUTAQF-UHFFFAOYSA-N -1 0 316.342 1.650 50 0 DDAARM Cc1cc(N[C@H]2C=CS(=O)(=O)C2)nc(-c2ccccc2[O-])n1 ZINC000091551207 193072145 /nfs/dbraw/zinc/07/21/45/193072145.db2.gz CXMGTDKRNNPPLK-NSHDSACASA-N -1 0 317.370 1.880 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2cccnc2)C1 ZINC000091908292 193125138 /nfs/dbraw/zinc/12/51/38/193125138.db2.gz MFEBGUAVLLXNNK-QGZVFWFLSA-N -1 0 320.389 1.744 50 0 DDAARM COc1cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1F ZINC000262433820 203294172 /nfs/dbraw/zinc/29/41/72/203294172.db2.gz STXIFALRPSWNMJ-LLVKDONJSA-N -1 0 319.354 1.612 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000262548463 203327175 /nfs/dbraw/zinc/32/71/75/203327175.db2.gz WLAIGPKPMWWGIX-NSHDSACASA-N -1 0 318.354 1.736 50 0 DDAARM COc1cc2nc(CSCC(=O)[O-])[nH]c(=O)c2cc1OC ZINC000012243798 181744098 /nfs/dbraw/zinc/74/40/98/181744098.db2.gz FRMMRJRZNGUTGV-UHFFFAOYSA-N -1 0 310.331 1.258 50 0 DDAARM COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000012863791 181804843 /nfs/dbraw/zinc/80/48/43/181804843.db2.gz ROLKPLJIYRQHNY-BRXULGCHSA-N -1 0 301.298 1.066 50 0 DDAARM Cc1nc2[n-]c(C(=O)NCc3ccccc3)nn2c(=O)c1Cl ZINC000100486581 193800461 /nfs/dbraw/zinc/80/04/61/193800461.db2.gz GRKXCILPPTZNAS-UHFFFAOYSA-N -1 0 317.736 1.309 50 0 DDAARM O=C([O-])CCC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000036047693 182793162 /nfs/dbraw/zinc/79/31/62/182793162.db2.gz QAHSZULTTKLWLU-UHFFFAOYSA-N -1 0 302.334 1.300 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc(Cl)cc1Cl ZINC000088375775 304199837 /nfs/dbraw/zinc/19/98/37/304199837.db2.gz UYGMDPVHFMDXGQ-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM COC[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCO1 ZINC000268928546 207096234 /nfs/dbraw/zinc/09/62/34/207096234.db2.gz XIHOMJQMFNVGPY-BTKRWWFXSA-N -1 0 305.330 1.272 50 0 DDAARM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268950079 207114709 /nfs/dbraw/zinc/11/47/09/207114709.db2.gz PMAANSBIRHCEBV-GFHWLSGHSA-N -1 0 309.387 1.664 50 0 DDAARM COc1ccccc1NC(=O)[C@H](Cc1ccncc1)c1nnn[n-]1 ZINC000057523490 184041066 /nfs/dbraw/zinc/04/10/66/184041066.db2.gz APZWDYQUKXUUHO-GFCCVEGCSA-N -1 0 324.344 1.568 50 0 DDAARM COc1ccc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1OC ZINC000269039204 207187092 /nfs/dbraw/zinc/18/70/92/207187092.db2.gz PTIAKPMAPKVGGH-KRWDZBQOSA-N -1 0 321.373 1.960 50 0 DDAARM CCOc1ccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000269041460 207191396 /nfs/dbraw/zinc/19/13/96/207191396.db2.gz RCHDJIAJRCADNK-AWEZNQCLSA-N -1 0 307.346 1.330 50 0 DDAARM Cc1ccccc1[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)NC(N)=O ZINC000269192960 207313353 /nfs/dbraw/zinc/31/33/53/207313353.db2.gz OWTBIKGWNWLHQJ-DGCLKSJQSA-N -1 0 319.361 1.028 50 0 DDAARM C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000377144294 257234869 /nfs/dbraw/zinc/23/48/69/257234869.db2.gz ACNXEYPRHNPXDE-MGAJPHDKSA-N -1 0 302.330 1.017 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000013170923 257233642 /nfs/dbraw/zinc/23/36/42/257233642.db2.gz WLNRQPUXMYPXPB-DIECRNLCSA-N -1 0 317.341 1.794 50 0 DDAARM O=C([O-])C1(NC(=O)c2c[nH]nc2-c2ccccc2)CCOCC1 ZINC000322863521 257241992 /nfs/dbraw/zinc/24/19/92/257241992.db2.gz VTKROXWXTYYOJR-UHFFFAOYSA-N -1 0 315.329 1.440 50 0 DDAARM COc1ccc(C)cc1/C=C/C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000328589235 533375276 /nfs/dbraw/zinc/37/52/76/533375276.db2.gz SNZPVJJJUIAZJY-DIECRNLCSA-N -1 0 305.330 1.329 50 0 DDAARM COc1ccc(CNC(=O)CC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299751786 533579136 /nfs/dbraw/zinc/57/91/36/533579136.db2.gz RRXXOXHJNZEBJG-LBPRGKRZSA-N -1 0 307.346 1.969 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cc(C3CC3)n[nH]2)(C(=O)[O-])C1(C)C ZINC000193042845 286505242 /nfs/dbraw/zinc/50/52/42/286505242.db2.gz QSHGSGVMQNIUJH-BLLLJJGKSA-N -1 0 321.377 1.675 50 0 DDAARM NC(=S)n1ncc(C(=O)[O-])c1NC(=O)c1ccccc1Cl ZINC000002654030 406694544 /nfs/dbraw/zinc/69/45/44/406694544.db2.gz KOTLAYVARXSPHM-UHFFFAOYSA-N -1 0 324.749 1.579 50 0 DDAARM Cc1cc2c(nc(C)n([N-]C(=O)c3cn(C)nc3C)c2=O)s1 ZINC000002778766 406698938 /nfs/dbraw/zinc/69/89/38/406698938.db2.gz LTYJNYPCGSRVOD-UHFFFAOYSA-N -1 0 317.374 1.501 50 0 DDAARM Cc1c2cc(F)ccc2oc1[C@H](C)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000069571500 406736335 /nfs/dbraw/zinc/73/63/35/406736335.db2.gz FVQUOJQYUXFUCC-ZETCQYMHSA-N -1 0 304.281 1.783 50 0 DDAARM O=S(=O)([N-]NC(=S)Nc1ccccc1)c1ccccc1 ZINC000003086381 406710641 /nfs/dbraw/zinc/71/06/41/406710641.db2.gz DCXSHBZROVDSAO-UHFFFAOYSA-N -1 0 307.400 1.867 50 0 DDAARM COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000003173338 406714563 /nfs/dbraw/zinc/71/45/63/406714563.db2.gz ZZQSRFASBWWWCX-UHFFFAOYSA-N -1 0 323.326 1.900 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccncc1 ZINC000003266634 406717151 /nfs/dbraw/zinc/71/71/51/406717151.db2.gz NHOBEZHNEKIAPM-UHFFFAOYSA-N -1 0 322.342 1.267 50 0 DDAARM Cc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2cnn(C)c2)s1 ZINC000069491985 406723757 /nfs/dbraw/zinc/72/37/57/406723757.db2.gz KKHHGCBMQCPBQH-BXUZGUMPSA-N -1 0 319.386 1.964 50 0 DDAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)n(Cc3ccco3)c(=O)c12 ZINC000008914915 406798108 /nfs/dbraw/zinc/79/81/08/406798108.db2.gz DMGSWYXSHPHDFP-UHFFFAOYSA-N -1 0 306.299 1.812 50 0 DDAARM CNC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000070666566 406820112 /nfs/dbraw/zinc/82/01/12/406820112.db2.gz XPUDYZYBGZAQJJ-UHFFFAOYSA-N -1 0 312.325 1.926 50 0 DDAARM CN(C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000013253519 406859761 /nfs/dbraw/zinc/85/97/61/406859761.db2.gz SKESNPVHHXTKDA-KBPBESRZSA-N -1 0 316.357 1.994 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@@H]2C)cc1OC ZINC000013182560 406859822 /nfs/dbraw/zinc/85/98/22/406859822.db2.gz FSNWQCIXSAIILV-DLOVCJGASA-N -1 0 307.346 1.992 50 0 DDAARM CC[C@H](C)NC(=O)Cn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC000020004273 406885808 /nfs/dbraw/zinc/88/58/08/406885808.db2.gz QIPVNUNLODYQHP-VIFPVBQESA-N -1 0 303.318 1.009 50 0 DDAARM COC(=O)CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1 ZINC000012361130 406841798 /nfs/dbraw/zinc/84/17/98/406841798.db2.gz RMZRFGCDKWYCDU-UHFFFAOYSA-N -1 0 320.779 1.716 50 0 DDAARM COCc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000089420400 407133169 /nfs/dbraw/zinc/13/31/69/407133169.db2.gz GKYRSEITAYOAOD-LLVKDONJSA-N -1 0 320.370 1.715 50 0 DDAARM COc1ccc(OC)c([C@@H](C(=O)[O-])N(C)Cc2cc(C)n[nH]2)c1 ZINC000095366383 407210258 /nfs/dbraw/zinc/21/02/58/407210258.db2.gz MFSIXRWMUFJTRJ-HNNXBMFYSA-N -1 0 319.361 1.993 50 0 DDAARM O=C([O-])[C@H](c1ccsc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000095384379 407212140 /nfs/dbraw/zinc/21/21/40/407212140.db2.gz AIDNLSWVDFKXMU-AWEZNQCLSA-N -1 0 308.403 1.961 50 0 DDAARM O=C([O-])c1cccc(C(=O)NCCCOCC2CCOCC2)n1 ZINC000095969766 407218587 /nfs/dbraw/zinc/21/85/87/407218587.db2.gz HIDMULLNMJYLHJ-UHFFFAOYSA-N -1 0 322.361 1.343 50 0 DDAARM COC[C@](C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(=O)[O-] ZINC000095989797 407221890 /nfs/dbraw/zinc/22/18/90/407221890.db2.gz WZWMQGZCFXZJRJ-HNNXBMFYSA-N -1 0 321.308 1.231 50 0 DDAARM CC(C)(C)c1ncc(C(=O)Nc2ccn(CC(=O)[O-])n2)s1 ZINC000122911815 407314252 /nfs/dbraw/zinc/31/42/52/407314252.db2.gz JQZRQAFSAMJDMQ-UHFFFAOYSA-N -1 0 308.363 1.974 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)C2(c3ccccc3F)CC2)n1 ZINC000123025822 407316924 /nfs/dbraw/zinc/31/69/24/407316924.db2.gz WNRSNGALNRCEMM-UHFFFAOYSA-N -1 0 303.293 1.777 50 0 DDAARM C[C@H](CN(Cc1ccccc1)C(=O)c1cnn(C)c1)C(=O)[O-] ZINC000097017817 407274945 /nfs/dbraw/zinc/27/49/45/407274945.db2.gz SOTDIVVTCHIIFI-GFCCVEGCSA-N -1 0 301.346 1.783 50 0 DDAARM COCc1nc([C@@H]2CCOC2)nn1-c1ccccc1C(=O)[O-] ZINC000097480341 407298666 /nfs/dbraw/zinc/29/86/66/407298666.db2.gz QRCDROORCKJIBG-SNVBAGLBSA-N -1 0 303.318 1.616 50 0 DDAARM Cc1cc(CN(C)Cc2cnc3c(C(=O)[O-])cnn3c2)ccn1 ZINC000097766871 407302624 /nfs/dbraw/zinc/30/26/24/407302624.db2.gz FJLGNSDBLQRGBK-UHFFFAOYSA-N -1 0 311.345 1.763 50 0 DDAARM COc1cc(OC)c(NC(=O)C2=C([O-])COC2=O)cc1Cl ZINC000100326736 407307515 /nfs/dbraw/zinc/30/75/15/407307515.db2.gz MMKVABPAYWPBOD-UHFFFAOYSA-N -1 0 313.693 1.665 50 0 DDAARM O=C(NCc1cccnc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621251 407308218 /nfs/dbraw/zinc/30/82/18/407308218.db2.gz PGGXOWFFCKJXCG-UHFFFAOYSA-N -1 0 321.336 1.588 50 0 DDAARM O=C([O-])c1nc[nH]c1C(=O)NCCN1CCCc2ccccc21 ZINC000215801741 407491578 /nfs/dbraw/zinc/49/15/78/407491578.db2.gz KWXOBXSSODRFSX-UHFFFAOYSA-N -1 0 314.345 1.291 50 0 DDAARM Cc1ccccc1OCC(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649789 407462987 /nfs/dbraw/zinc/46/29/87/407462987.db2.gz LZAXKYMBOIFIPK-UHFFFAOYSA-N -1 0 310.331 1.008 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1ccc(Br)s1 ZINC000224727079 407578959 /nfs/dbraw/zinc/57/89/59/407578959.db2.gz CGYQJDGONAZNNY-YUMQZZPRSA-N -1 0 318.192 1.890 50 0 DDAARM COc1cncc([C@@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@@H](O)C2)c1 ZINC000219658405 407531131 /nfs/dbraw/zinc/53/11/31/407531131.db2.gz BMLVMZJFJSGCNB-BXGCZWRVSA-N -1 0 319.317 1.026 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000261784318 407614015 /nfs/dbraw/zinc/61/40/15/407614015.db2.gz SHXZZQVDTQSVDR-OAHLLOKOSA-N -1 0 313.357 1.861 50 0 DDAARM O=C([O-])C1CCN(Cc2cn(-c3ccccc3F)nn2)CC1 ZINC000232313864 407702272 /nfs/dbraw/zinc/70/22/72/407702272.db2.gz WXAOKWNNIWQXSN-UHFFFAOYSA-N -1 0 304.325 1.703 50 0 DDAARM CC(C)c1cccc(OCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262007272 407708744 /nfs/dbraw/zinc/70/87/44/407708744.db2.gz VZUKUYZBZSHCLS-CQSZACIVSA-N -1 0 307.346 1.501 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000236664369 407743848 /nfs/dbraw/zinc/74/38/48/407743848.db2.gz NYEXVKJGAUTJRM-AWEZNQCLSA-N -1 0 310.375 1.321 50 0 DDAARM C[C@H](CN(C)C(=O)c1ccc2ncsc2c1)c1nnn[n-]1 ZINC000187270415 407837694 /nfs/dbraw/zinc/83/76/94/407837694.db2.gz SMCJZTRWYYTMCT-MRVPVSSYSA-N -1 0 302.363 1.685 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000262575609 407872014 /nfs/dbraw/zinc/87/20/14/407872014.db2.gz DKIQMLNCAQDHAB-VHSXEESVSA-N -1 0 308.403 1.791 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCO1 ZINC000238052515 407878286 /nfs/dbraw/zinc/87/82/86/407878286.db2.gz UDWBUGAOEFKQNM-LBPRGKRZSA-N -1 0 302.330 1.413 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccccc3)CCC2)CCO1 ZINC000238051147 407879399 /nfs/dbraw/zinc/87/93/99/407879399.db2.gz ALQTZKXOPKTZBR-AWEZNQCLSA-N -1 0 303.358 1.810 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000238078883 407884657 /nfs/dbraw/zinc/88/46/57/407884657.db2.gz ORQPMBQFCNFEQY-SECBINFHSA-N -1 0 318.251 1.712 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CN2CCCCCCC2=O)cc1 ZINC000238089776 407889345 /nfs/dbraw/zinc/88/93/45/407889345.db2.gz MKUXJTINFOMLSW-UHFFFAOYSA-N -1 0 318.373 1.794 50 0 DDAARM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000262838143 407953012 /nfs/dbraw/zinc/95/30/12/407953012.db2.gz RUHXQHJJEHEZLX-GFCCVEGCSA-N -1 0 316.357 1.197 50 0 DDAARM Cc1nc(C(=O)NCCc2nc(C(=O)[O-])cs2)c(C)s1 ZINC000262856587 407955629 /nfs/dbraw/zinc/95/56/29/407955629.db2.gz ABBQVJOKKNCCDN-UHFFFAOYSA-N -1 0 311.388 1.887 50 0 DDAARM CCCn1cc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)cn1 ZINC000262938793 407977519 /nfs/dbraw/zinc/97/75/19/407977519.db2.gz HOIMSQIEFHWENH-GFCCVEGCSA-N -1 0 319.283 1.772 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2ccnn2C2CCCC2)n1 ZINC000262795852 407932904 /nfs/dbraw/zinc/93/29/04/407932904.db2.gz QQVOYCXUMGNFIN-UHFFFAOYSA-N -1 0 303.322 1.532 50 0 DDAARM CC(C)Oc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000263227276 408063653 /nfs/dbraw/zinc/06/36/53/408063653.db2.gz AHZHMOHVPVYIMT-NSHDSACASA-N -1 0 308.334 1.185 50 0 DDAARM CC(C)(C)[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H]1O ZINC000263419926 408134662 /nfs/dbraw/zinc/13/46/62/408134662.db2.gz KXFAITKJMNYZPR-BXKDBHETSA-N -1 0 307.350 1.044 50 0 DDAARM Cn1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)c2ccccc21 ZINC000141749489 408180675 /nfs/dbraw/zinc/18/06/75/408180675.db2.gz NSMYLIVVRWFBCR-UHFFFAOYSA-N -1 0 316.357 1.884 50 0 DDAARM COCCOc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000268892917 408219435 /nfs/dbraw/zinc/21/94/35/408219435.db2.gz AXCZSHBKFLSZIN-AWEZNQCLSA-N -1 0 307.346 1.791 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000191243896 408392252 /nfs/dbraw/zinc/39/22/52/408392252.db2.gz WQRYFOXJVGCOFU-UHFFFAOYSA-N -1 0 323.393 1.710 50 0 DDAARM C[C@H](CN(C)C(=O)[C@@H](C)Cc1cccc(F)c1)c1nnn[n-]1 ZINC000183451487 408415236 /nfs/dbraw/zinc/41/52/36/408415236.db2.gz UETSCTBLCPHHKM-WDEREUQCSA-N -1 0 305.357 1.780 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)c2ccccc21 ZINC000177483719 408633045 /nfs/dbraw/zinc/63/30/45/408633045.db2.gz CGTJFKDXQUMMHX-LLVKDONJSA-N -1 0 308.297 1.787 50 0 DDAARM COc1ccc(C(=O)[N-]S(C)(=O)=O)cc1-c1ccccn1 ZINC000162331480 408691882 /nfs/dbraw/zinc/69/18/82/408691882.db2.gz LKHPDHGKGGGZMG-UHFFFAOYSA-N -1 0 306.343 1.447 50 0 DDAARM Cc1ccc(OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C)c1 ZINC000317189843 164026369 /nfs/dbraw/zinc/02/63/69/164026369.db2.gz SXBOLBFUEPDTPI-CYBMUJFWSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000262615081 222286550 /nfs/dbraw/zinc/28/65/50/222286550.db2.gz LSOYMVIZLMGTBW-ZIAGYGMSSA-N -1 0 307.321 1.916 50 0 DDAARM CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@]2(C)C(=O)[O-])c1C ZINC000426503517 419490015 /nfs/dbraw/zinc/49/00/15/419490015.db2.gz NYVCGFYAXXIZML-HNNXBMFYSA-N -1 0 307.350 1.168 50 0 DDAARM CSC[C@H](NC(=O)c1csc(-c2ncccn2)n1)C(=O)[O-] ZINC000426411556 419462705 /nfs/dbraw/zinc/46/27/05/419462705.db2.gz USHQWIWQVIVFMA-QMMMGPOBSA-N -1 0 324.387 1.146 50 0 DDAARM Cc1nc(-c2ccccc2)ncc1C(=O)N1CC=C[C@H]1C(=O)[O-] ZINC000426538009 228584260 /nfs/dbraw/zinc/58/42/60/228584260.db2.gz APUFAJNAKDJKJQ-AWEZNQCLSA-N -1 0 309.325 1.917 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)o1 ZINC000299743041 229379242 /nfs/dbraw/zinc/37/92/42/229379242.db2.gz LRWBTKQOOFMPLK-ZDUSSCGKSA-N -1 0 303.270 1.434 50 0 DDAARM Cc1c(Cl)c(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1C ZINC000573090922 421914574 /nfs/dbraw/zinc/91/45/74/421914574.db2.gz PGFMHZFMWNLSQT-UHFFFAOYSA-N -1 0 315.757 1.088 50 0 DDAARM Cn1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1C1CC1 ZINC000630203284 421956211 /nfs/dbraw/zinc/95/62/11/421956211.db2.gz TVHBAHKUXIPZSL-NWDGAFQWSA-N -1 0 303.362 1.480 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2csc(C(N)=O)c2)c1 ZINC000585119042 422306976 /nfs/dbraw/zinc/30/69/76/422306976.db2.gz NLVRBEOWRZQWLB-UHFFFAOYSA-N -1 0 314.392 1.425 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2cccc3cccnc23)CCO1 ZINC000606442178 422459187 /nfs/dbraw/zinc/45/91/87/422459187.db2.gz YCKRNZXLFFPNOW-AFNCTOJWSA-N -1 0 312.325 1.560 50 0 DDAARM CCn1ccc(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000652058833 423824792 /nfs/dbraw/zinc/82/47/92/423824792.db2.gz IMIREZKSHWMFSS-UHFFFAOYSA-N -1 0 301.346 1.802 50 0 DDAARM CC(C)(C)CN(CC(=O)[O-])C(=O)CN1Cc2ccccc2C1=O ZINC000659782223 424251855 /nfs/dbraw/zinc/25/18/55/424251855.db2.gz ZQWLRRYILNXKJR-UHFFFAOYSA-N -1 0 318.373 1.602 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000004668541 278202788 /nfs/dbraw/zinc/20/27/88/278202788.db2.gz DSOOEHVNCNKAPL-GFCCVEGCSA-N -1 0 314.363 1.033 50 0 DDAARM CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)[O-])cc(C3CC3)nc21 ZINC000012896088 279251615 /nfs/dbraw/zinc/25/16/15/279251615.db2.gz UEPTUOSDEZPFLU-UHFFFAOYSA-N -1 0 303.318 1.316 50 0 DDAARM CC(C)c1nc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cn1C ZINC000263283249 280664087 /nfs/dbraw/zinc/66/40/87/280664087.db2.gz YXMGQTCHOKFSEJ-JTQLQIEISA-N -1 0 315.395 1.171 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCC(O)CC1 ZINC000012604723 295540803 /nfs/dbraw/zinc/54/08/03/295540803.db2.gz ZHVBNSXAMOUFLF-UHFFFAOYSA-N -1 0 312.391 1.091 50 0 DDAARM C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000101359992 300856790 /nfs/dbraw/zinc/85/67/90/300856790.db2.gz GZMDFKKLXHSWDH-MWDDYTRKSA-N -1 0 313.309 1.608 50 0 DDAARM Cc1nc2c(c(NCc3n[nH]c(=O)[n-]3)n1)Cc1ccccc1OC2 ZINC000095498942 302649915 /nfs/dbraw/zinc/64/99/15/302649915.db2.gz FGEDAPCAHRGTDL-UHFFFAOYSA-N -1 0 324.344 1.292 50 0 DDAARM Cn1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1=O ZINC000237723053 302951216 /nfs/dbraw/zinc/95/12/16/302951216.db2.gz HWHSJPUUSCPCIW-WXHSDQCUSA-N -1 0 304.346 1.243 50 0 DDAARM COc1ccc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000531747724 303254704 /nfs/dbraw/zinc/25/47/04/303254704.db2.gz MAFWTMRZUBVVMT-UHFFFAOYSA-N -1 0 307.346 1.330 50 0 DDAARM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1n[nH]c(=O)[n-]1 ZINC000076088002 303934540 /nfs/dbraw/zinc/93/45/40/303934540.db2.gz HFXPNHMHMNIDBN-SSDOTTSWSA-N -1 0 320.658 1.785 50 0 DDAARM Cc1[nH]ccc1C(=O)N1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000534661155 334321697 /nfs/dbraw/zinc/32/16/97/334321697.db2.gz TXZKYPSONJVRKU-UHFFFAOYSA-N -1 0 313.357 1.984 50 0 DDAARM O=C([O-])CCNC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000299749237 534493884 /nfs/dbraw/zinc/49/38/84/534493884.db2.gz JNZWCTQTOWXUKS-LLVKDONJSA-N -1 0 310.737 1.284 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000299747281 534525760 /nfs/dbraw/zinc/52/57/60/534525760.db2.gz CKYQOYDZZBRNKI-GAFUQQFSSA-N -1 0 311.284 1.380 50 0 DDAARM CC(C)C[C@H](C)OCCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299752384 528482540 /nfs/dbraw/zinc/48/25/40/528482540.db2.gz TYTZCDRYOMJEQG-QWHCGFSZSA-N -1 0 301.383 1.530 50 0 DDAARM CC(C)[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299743810 528546715 /nfs/dbraw/zinc/54/67/15/528546715.db2.gz MJQGMAWVRPBFKO-WCQYABFASA-N -1 0 322.386 1.715 50 0 DDAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)N(CC)CC)N=C1[O-] ZINC000005080956 696012232 /nfs/dbraw/zinc/01/22/32/696012232.db2.gz DSUGKGAPAYTRAU-SECBINFHSA-N -1 0 313.423 1.950 50 0 DDAARM CC(=NNC(=O)c1cccnc1)c1cccc(OCC(=O)[O-])c1 ZINC000254288540 698407250 /nfs/dbraw/zinc/40/72/50/698407250.db2.gz SPMRJVWKTUPWBA-UHFFFAOYSA-N -1 0 313.313 1.699 50 0 DDAARM Cc1cc(C[C@H](C)NC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)[nH]n1 ZINC000263122744 698492474 /nfs/dbraw/zinc/49/24/74/698492474.db2.gz CLAQAMYESBFZFF-JBLDHEPKSA-N -1 0 308.382 1.401 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@H]2COC[C@@H]2N2CCCCC2)s1 ZINC000426584053 699155563 /nfs/dbraw/zinc/15/55/63/699155563.db2.gz QPYYOAPJGXWCKK-QWRGUYRKSA-N -1 0 324.402 1.429 50 0 DDAARM Cn1nc([C@@H]2CCCN(C(=O)O[C@@H]3CCOC3)C2)cc1C(=O)[O-] ZINC000952994245 721534618 /nfs/dbraw/zinc/53/46/18/721534618.db2.gz YDLLLQJMSBWAJA-GHMZBOCLSA-N -1 0 323.349 1.223 50 0 DDAARM CCc1ccc(S(=O)(=O)[N-]c2cnc(OC)nc2OC)cc1 ZINC000585436245 773682936 /nfs/dbraw/zinc/68/29/36/773682936.db2.gz AAPQVUNQOKYKTO-UHFFFAOYSA-N -1 0 323.374 1.857 50 0 DDAARM Cc1n[nH]c(C)c1CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F ZINC000952875996 775621512 /nfs/dbraw/zinc/62/15/12/775621512.db2.gz KQGPYLIOSWKIDO-UHFFFAOYSA-N -1 0 306.288 1.100 50 0 DDAARM Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088374291 185247631 /nfs/dbraw/zinc/24/76/31/185247631.db2.gz UELYKDNYMUZUBK-NSHDSACASA-N -1 0 313.737 1.339 50 0 DDAARM CN(c1ccccc1)c1cc(NC[C@@](C)(O)C(=O)[O-])ncn1 ZINC000263537856 539276179 /nfs/dbraw/zinc/27/61/79/539276179.db2.gz AQNHPRZSDBXUBR-OAHLLOKOSA-N -1 0 302.334 1.492 50 0 DDAARM C[C@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])n1cccn1 ZINC000095463997 185371548 /nfs/dbraw/zinc/37/15/48/185371548.db2.gz NLCIEIUVSLLCOB-MFKMUULPSA-N -1 0 305.309 1.395 50 0 DDAARM CC(C)CN1C[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000314330008 290805761 /nfs/dbraw/zinc/80/57/61/290805761.db2.gz CYENNEPMKITEKS-GFCCVEGCSA-N -1 0 304.346 1.828 50 0 DDAARM CCCc1nnc([N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000083956022 192392383 /nfs/dbraw/zinc/39/23/83/192392383.db2.gz LKHRCGNTGHRMKE-UHFFFAOYSA-N -1 0 302.381 1.896 50 0 DDAARM COc1cccc2ccc(CN3CCOC[C@H]3CC(=O)[O-])nc21 ZINC000072145828 191053456 /nfs/dbraw/zinc/05/34/56/191053456.db2.gz GYISCXOKWXUPHX-CQSZACIVSA-N -1 0 316.357 1.919 50 0 DDAARM Cn1nccc1CCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000253350462 186300178 /nfs/dbraw/zinc/30/01/78/186300178.db2.gz JHCPGYPFWXWOSX-XBFCOCLRSA-N -1 0 305.378 1.597 50 0 DDAARM C[C@@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1nnn[n-]1 ZINC000072479396 191179658 /nfs/dbraw/zinc/17/96/58/191179658.db2.gz TVFGPGNVHULWBP-MRVPVSSYSA-N -1 0 322.336 1.112 50 0 DDAARM CC(C)c1nncn1CCNC(=O)c1c([O-])cc(F)cc1F ZINC000073146592 191283699 /nfs/dbraw/zinc/28/36/99/191283699.db2.gz XXDKAHGBGXNNNT-UHFFFAOYSA-N -1 0 310.304 1.815 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000003394268 181014783 /nfs/dbraw/zinc/01/47/83/181014783.db2.gz QFRKGCSWJWNFCX-UHFFFAOYSA-N -1 0 305.302 1.450 50 0 DDAARM COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000003445671 181020876 /nfs/dbraw/zinc/02/08/76/181020876.db2.gz XSGWWCUMGZFMJR-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 DDAARM Nc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1O ZINC000003873267 181050750 /nfs/dbraw/zinc/05/07/50/181050750.db2.gz ISDVREGLMJJFJG-UHFFFAOYSA-N -1 0 308.315 1.473 50 0 DDAARM O=C(Cc1cccs1)[N-]S(=O)(=O)c1ncccc1F ZINC000195580241 354298530 /nfs/dbraw/zinc/29/85/30/354298530.db2.gz ZENNXILBFMVSSZ-UHFFFAOYSA-N -1 0 300.336 1.330 50 0 DDAARM CC(C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794519 181152514 /nfs/dbraw/zinc/15/25/14/181152514.db2.gz RQLYPCLOROQBGI-ZDUSSCGKSA-N -1 0 308.334 1.138 50 0 DDAARM O=C([O-])c1cnc(NCC2(CO)CCOCC2)c(Cl)c1 ZINC000584886598 354789523 /nfs/dbraw/zinc/78/95/23/354789523.db2.gz HRPHFWPLDGXZAG-UHFFFAOYSA-N -1 0 300.742 1.634 50 0 DDAARM O=C([O-])c1ccc(OC[C@@H](O)Cn2nnc3ccccc32)cc1 ZINC000005778242 181282850 /nfs/dbraw/zinc/28/28/50/181282850.db2.gz BXJWQRFCIGSXNO-LBPRGKRZSA-N -1 0 313.313 1.569 50 0 DDAARM C[C@@H](CNC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000237315544 202228453 /nfs/dbraw/zinc/22/84/53/202228453.db2.gz XBCWEFHFLUSPGX-NSHDSACASA-N -1 0 304.346 1.260 50 0 DDAARM COc1ccc2nc(C(=O)N3CCC[C@H]3C(=O)[O-])ccc2c1 ZINC000237300411 202223191 /nfs/dbraw/zinc/22/31/91/202223191.db2.gz OYLLLVCQWKBOAS-AWEZNQCLSA-N -1 0 300.314 1.933 50 0 DDAARM C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237392962 202252816 /nfs/dbraw/zinc/25/28/16/202252816.db2.gz QIBLDOWGXHVLGA-MGPQQGTHSA-N -1 0 312.410 1.247 50 0 DDAARM C[C@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000237420611 202261307 /nfs/dbraw/zinc/26/13/07/202261307.db2.gz ZKGMJCMGPIKWSZ-LLVKDONJSA-N -1 0 304.346 1.193 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000237647668 202317092 /nfs/dbraw/zinc/31/70/92/202317092.db2.gz IDLUUDCGNSYIHC-MRXNPFEDSA-N -1 0 314.345 1.268 50 0 DDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237711642 202335331 /nfs/dbraw/zinc/33/53/31/202335331.db2.gz SZHVSQGBLPERRW-LLVKDONJSA-N -1 0 302.334 1.201 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)n1 ZINC000237700824 202332598 /nfs/dbraw/zinc/33/25/98/202332598.db2.gz AXNWYANSTOHSMD-LBPRGKRZSA-N -1 0 301.302 1.734 50 0 DDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)nnn1-c1ccc(C)cc1 ZINC000237846038 202369808 /nfs/dbraw/zinc/36/98/08/202369808.db2.gz HVNHTYAFTLOJSV-GFCCVEGCSA-N -1 0 314.345 1.431 50 0 DDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000013321003 304097276 /nfs/dbraw/zinc/09/72/76/304097276.db2.gz MYYRWUZHEGZZRY-CLRIEMFWSA-N -1 0 323.389 1.489 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000091872275 193121149 /nfs/dbraw/zinc/12/11/49/193121149.db2.gz CULRFTMZVRPKIJ-MRXNPFEDSA-N -1 0 323.393 1.462 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000088374966 304135504 /nfs/dbraw/zinc/13/55/04/304135504.db2.gz UOCBIULWOQOYOC-JTQLQIEISA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000299749440 304138867 /nfs/dbraw/zinc/13/88/67/304138867.db2.gz KIMKHCUAXXXCNH-QJPTWQEYSA-N -1 0 303.314 1.800 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1ccc(Br)s1 ZINC000224727120 201679237 /nfs/dbraw/zinc/67/92/37/201679237.db2.gz CGYQJDGONAZNNY-HTQZYQBOSA-N -1 0 318.192 1.890 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COC[C@H]1CCCO1 ZINC000299752662 304140689 /nfs/dbraw/zinc/14/06/89/304140689.db2.gz UXEWCIGSMZAZPF-CRWXNKLISA-N -1 0 311.378 1.426 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000261816341 203124897 /nfs/dbraw/zinc/12/48/97/203124897.db2.gz NAGXKCYTXUQJKJ-CYBMUJFWSA-N -1 0 314.345 1.268 50 0 DDAARM C[C@@H](CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000262197236 203227150 /nfs/dbraw/zinc/22/71/50/203227150.db2.gz ZOXLRLGPRVMTQI-ZETCQYMHSA-N -1 0 321.301 1.133 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2nncn2c1 ZINC000262249325 304149499 /nfs/dbraw/zinc/14/94/99/304149499.db2.gz CYUUSBQNCUVCGO-RTXFEEFZSA-N -1 0 314.345 1.587 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1ccccc1=O ZINC000262349688 203269309 /nfs/dbraw/zinc/26/93/09/203269309.db2.gz HFQBDZHXPJCSJI-AGIUHOORSA-N -1 0 304.346 1.093 50 0 DDAARM Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262351976 203270877 /nfs/dbraw/zinc/27/08/77/203270877.db2.gz BNCTXADBQVXKJH-MNOVXSKESA-N -1 0 311.359 1.199 50 0 DDAARM CCN(CC)C(=O)[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095356726 193428727 /nfs/dbraw/zinc/42/87/27/193428727.db2.gz UKPOWYHZDCJHRZ-NSHDSACASA-N -1 0 306.366 1.260 50 0 DDAARM COc1cccc(CCC(=O)N2CCC(C(=O)[O-])CC2)c1OC ZINC000013167523 181835654 /nfs/dbraw/zinc/83/56/54/181835654.db2.gz DRNOYTYKSHOLQK-UHFFFAOYSA-N -1 0 321.373 1.960 50 0 DDAARM Cc1n[nH]c(C)c1S(=O)(=O)N1CCCCCC[C@@H]1C(=O)[O-] ZINC000282643675 217148119 /nfs/dbraw/zinc/14/81/19/217148119.db2.gz DBUQBCFPOJTUMR-LLVKDONJSA-N -1 0 315.395 1.435 50 0 DDAARM Cc1cc2nc(CS(=O)(=O)c3ccccc3)cc(=O)n2[n-]1 ZINC000015923791 182024517 /nfs/dbraw/zinc/02/45/17/182024517.db2.gz IGZKCKPOSVQAAW-UHFFFAOYSA-N -1 0 303.343 1.717 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000029010036 304175833 /nfs/dbraw/zinc/17/58/33/304175833.db2.gz NGVCZDQOULFRBJ-QWRGUYRKSA-N -1 0 316.313 1.623 50 0 DDAARM COc1cccc(-c2nc(CC(=O)NCCC(=O)[O-])cs2)c1 ZINC000020715572 182243210 /nfs/dbraw/zinc/24/32/10/182243210.db2.gz GNTMFRXUKZVUSQ-UHFFFAOYSA-N -1 0 320.370 1.952 50 0 DDAARM O=C([O-])c1ccn(CCC(=O)NCc2ccccc2Cl)n1 ZINC000020614501 182238440 /nfs/dbraw/zinc/23/84/40/182238440.db2.gz HVRDIPQDEBRXTM-UHFFFAOYSA-N -1 0 307.737 1.941 50 0 DDAARM O=C([O-])CCCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000021148856 182266836 /nfs/dbraw/zinc/26/68/36/182266836.db2.gz IMMKZLVVPVXXIO-UHFFFAOYSA-N -1 0 304.346 1.685 50 0 DDAARM CCc1nc(C)c(-c2nc(CCSC)nn2CC(=O)[O-])o1 ZINC000097831105 193763231 /nfs/dbraw/zinc/76/32/31/193763231.db2.gz NSKLKWFNBFNRKR-UHFFFAOYSA-N -1 0 310.379 1.794 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)Cc1cn2cccc(C)c2n1)C(=O)[O-] ZINC000031958375 182630468 /nfs/dbraw/zinc/63/04/68/182630468.db2.gz HDCKCOKFDVVBIY-HZMBPMFUSA-N -1 0 303.362 1.801 50 0 DDAARM O=C(NCc1ccncc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621253 193802497 /nfs/dbraw/zinc/80/24/97/193802497.db2.gz HXTBBLMNRUFXQZ-UHFFFAOYSA-N -1 0 321.336 1.588 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000040451240 183068113 /nfs/dbraw/zinc/06/81/13/183068113.db2.gz UOERFCAOTAQPFK-SSDOTTSWSA-N -1 0 317.128 1.571 50 0 DDAARM O=C([O-])CCCNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000041156137 183179601 /nfs/dbraw/zinc/17/96/01/183179601.db2.gz DUVIWELKRRJJEH-UHFFFAOYSA-N -1 0 312.753 1.441 50 0 DDAARM COc1ccc(C)cc1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000041670398 183214770 /nfs/dbraw/zinc/21/47/70/183214770.db2.gz PSWPDGNUNDCMGU-UHFFFAOYSA-N -1 0 316.313 1.502 50 0 DDAARM COc1ccccc1CCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043509910 183368746 /nfs/dbraw/zinc/36/87/46/183368746.db2.gz GHDREBWZKVOSEM-OAHLLOKOSA-N -1 0 309.387 1.704 50 0 DDAARM O=C(NCC[C@@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000058411771 184114736 /nfs/dbraw/zinc/11/47/36/184114736.db2.gz VBABISDUXWDENV-JTQLQIEISA-N -1 0 319.386 1.511 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000269038078 207187614 /nfs/dbraw/zinc/18/76/14/207187614.db2.gz PLEYBYRFFLXDBP-PXAZEXFGSA-N -1 0 321.373 1.924 50 0 DDAARM COc1ccc2c(c1)C=C(C(=O)N(C)CCCC(=O)[O-])CO2 ZINC000269161210 207284265 /nfs/dbraw/zinc/28/42/65/207284265.db2.gz XYAZBBYSVXRKJT-UHFFFAOYSA-N -1 0 305.330 1.794 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2csc(-c3ncccn3)n2)C1 ZINC000065393916 184334597 /nfs/dbraw/zinc/33/45/97/184334597.db2.gz FTSHLXAPSXSITN-SECBINFHSA-N -1 0 318.358 1.076 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000269207018 207325929 /nfs/dbraw/zinc/32/59/29/207325929.db2.gz UQEAJZLGFYQWDT-LLVKDONJSA-N -1 0 318.304 1.956 50 0 DDAARM O=C([O-])c1cn([C@H]2CCCN(C(=O)c3ccsc3)C2)nn1 ZINC000567970119 304256759 /nfs/dbraw/zinc/25/67/59/304256759.db2.gz IDOHAVIFGGWSDV-JTQLQIEISA-N -1 0 306.347 1.515 50 0 DDAARM COc1ccc(OC)c(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000318966144 257242160 /nfs/dbraw/zinc/24/21/60/257242160.db2.gz BYXIHAAHKHZHCR-WDEREUQCSA-N -1 0 307.346 1.821 50 0 DDAARM NC(=O)N1CCC[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000121143754 195299038 /nfs/dbraw/zinc/29/90/38/195299038.db2.gz BCUWJGSSMNXOLP-QMMMGPOBSA-N -1 0 320.374 1.846 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])c(OC)c1 ZINC000492231370 533243434 /nfs/dbraw/zinc/24/34/34/533243434.db2.gz JKYGMDUKSQHRGS-WOLRVDTOSA-N -1 0 305.330 1.793 50 0 DDAARM COC(=O)c1cc(I)cc(C(=O)[O-])c1 ZINC000014985976 292001825 /nfs/dbraw/zinc/00/18/25/292001825.db2.gz NDJVBDKXAJSYFV-UHFFFAOYSA-N -1 0 306.055 1.776 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)C2CC2)C1 ZINC000091664095 292379256 /nfs/dbraw/zinc/37/92/56/292379256.db2.gz GFPDZAXOPZESAV-ZDUSSCGKSA-N -1 0 305.396 1.072 50 0 DDAARM CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000001576104 406672321 /nfs/dbraw/zinc/67/23/21/406672321.db2.gz RWAYODJQGJVQGX-SMDDNHRTSA-N -1 0 322.361 1.528 50 0 DDAARM CCOc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CC)c2=O)cc1 ZINC000000405163 406645409 /nfs/dbraw/zinc/64/54/09/406645409.db2.gz DWQKSMPZQBLRLJ-UHFFFAOYSA-N -1 0 304.302 1.185 50 0 DDAARM COc1cc(C)ccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167325 406860001 /nfs/dbraw/zinc/86/00/01/406860001.db2.gz VFIKFSSZDRQBOS-UHFFFAOYSA-N -1 0 307.346 1.706 50 0 DDAARM CCCC[C@@H](C(=O)[O-])[N@@H+]1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072474874 406883043 /nfs/dbraw/zinc/88/30/43/406883043.db2.gz FNEKQMQAGMEZKN-AWEZNQCLSA-N -1 0 323.393 1.749 50 0 DDAARM CNC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000027056652 406907769 /nfs/dbraw/zinc/90/77/69/406907769.db2.gz CHRGYSFUNJDKTE-QWHCGFSZSA-N -1 0 316.357 1.960 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000034936909 406965177 /nfs/dbraw/zinc/96/51/77/406965177.db2.gz RUTVKXJQNPCTNU-JTQLQIEISA-N -1 0 323.823 1.825 50 0 DDAARM CCOc1ccccc1[C@H](C(=O)[O-])N1CCN(C(C)=O)CC1 ZINC000095368956 407210129 /nfs/dbraw/zinc/21/01/29/407210129.db2.gz LFUVAEYSYXKCCY-OAHLLOKOSA-N -1 0 306.362 1.375 50 0 DDAARM CCn1ccnc1CN(C)[C@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095365259 407210201 /nfs/dbraw/zinc/21/02/01/407210201.db2.gz XRWABCNVIPZNIZ-HNNXBMFYSA-N -1 0 303.362 1.653 50 0 DDAARM CCn1ccnc1CN(C)[C@@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000095375911 407211152 /nfs/dbraw/zinc/21/11/52/407211152.db2.gz SXKLGDBVGSUASI-OAHLLOKOSA-N -1 0 317.345 1.889 50 0 DDAARM CC(C)(C)[C@H](NC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000095970083 407218605 /nfs/dbraw/zinc/21/86/05/407218605.db2.gz OMXODDOGBYQTFL-GFCCVEGCSA-N -1 0 303.318 1.152 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c2)no1 ZINC000095969596 407218937 /nfs/dbraw/zinc/21/89/37/407218937.db2.gz LOBWIULSXSUNNV-GFCCVEGCSA-N -1 0 303.318 1.884 50 0 DDAARM NC(=O)Cc1csc([N-]S(=O)(=O)/C=C/c2ccccc2)n1 ZINC000066250543 407246988 /nfs/dbraw/zinc/24/69/88/407246988.db2.gz UMLMYFJZOBZSOP-VOTSOKGWSA-N -1 0 323.399 1.584 50 0 DDAARM C[C@H](OC1CCCCCC1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000096474053 407270995 /nfs/dbraw/zinc/27/09/95/407270995.db2.gz LACQHHFIQHSXHI-NSHDSACASA-N -1 0 310.398 1.275 50 0 DDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ncccc1F ZINC000096496307 407273035 /nfs/dbraw/zinc/27/30/35/407273035.db2.gz OWPDUSBTTMCBOZ-UHFFFAOYSA-N -1 0 312.370 1.880 50 0 DDAARM CC(=O)N[C@@H](Cc1cn(-c2ccc(Cl)cn2)cn1)C(=O)[O-] ZINC000067692602 407280855 /nfs/dbraw/zinc/28/08/55/407280855.db2.gz MFHVGFCPYQCBOL-NSHDSACASA-N -1 0 308.725 1.053 50 0 DDAARM O=C(CNC(=O)c1cc(F)c([O-])c(F)c1)NCc1ccccc1 ZINC000097140285 407282512 /nfs/dbraw/zinc/28/25/12/407282512.db2.gz OOZFOKAPVGBCRS-UHFFFAOYSA-N -1 0 320.295 1.717 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2noc(-c3ccco3)n2)c1 ZINC000097164257 407284872 /nfs/dbraw/zinc/28/48/72/407284872.db2.gz CANWDHDAIYIJPU-UHFFFAOYSA-N -1 0 323.334 1.908 50 0 DDAARM CCCc1cc(=O)n2nc(C(=O)N3CCC(C)CC3)[n-]c2n1 ZINC000100906252 407308731 /nfs/dbraw/zinc/30/87/31/407308731.db2.gz SNDBJUFZEBRHNY-UHFFFAOYSA-N -1 0 303.366 1.242 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1Cl ZINC000101347675 407309229 /nfs/dbraw/zinc/30/92/29/407309229.db2.gz WULAOJJCOXOFHW-JTQLQIEISA-N -1 0 306.709 1.924 50 0 DDAARM Cc1ccc(C[C@H](C)C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1 ZINC000124431029 407358328 /nfs/dbraw/zinc/35/83/28/407358328.db2.gz TUUDTVLGRGJYCL-QWHCGFSZSA-N -1 0 301.394 1.949 50 0 DDAARM Cc1ccc(F)c(OCC(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000124598918 407363126 /nfs/dbraw/zinc/36/31/26/407363126.db2.gz BLEYOCVZDOBWOC-JTQLQIEISA-N -1 0 307.329 1.288 50 0 DDAARM C[C@H](CN(C)C(=O)c1cc(C2CCCCC2)n[nH]1)c1nnn[n-]1 ZINC000124711757 407366749 /nfs/dbraw/zinc/36/67/49/407366749.db2.gz KOQLSQRVRFYWQK-SNVBAGLBSA-N -1 0 317.397 1.846 50 0 DDAARM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1[nH]cnc1C(=O)[O-] ZINC000215409941 407483011 /nfs/dbraw/zinc/48/30/11/407483011.db2.gz ITFQCPOBRUFVND-SECBINFHSA-N -1 0 305.338 1.149 50 0 DDAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000265867413 407489962 /nfs/dbraw/zinc/48/99/62/407489962.db2.gz ITYXHEDJOMHNFZ-SNVBAGLBSA-N -1 0 317.338 1.835 50 0 DDAARM Cc1ccc2cc(CN3CCOC[C@@H]3C(=O)[O-])c(=O)[nH]c2c1 ZINC000253537156 407455101 /nfs/dbraw/zinc/45/51/01/407455101.db2.gz ZWOUXUQQQKLQSE-CQSZACIVSA-N -1 0 302.330 1.534 50 0 DDAARM CC[C@H](C)c1ccccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262163828 407757561 /nfs/dbraw/zinc/75/75/61/407757561.db2.gz VOVKNNVFQBRRGN-SWLSCSKDSA-N -1 0 321.373 1.891 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])C2=O)cc1 ZINC000237579459 407829731 /nfs/dbraw/zinc/82/97/31/407829731.db2.gz BSZQQFNIKMBEKO-AAEUAGOBSA-N -1 0 304.346 1.185 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCO1 ZINC000262440811 407837709 /nfs/dbraw/zinc/83/77/09/407837709.db2.gz URLRGZOAAYJTIJ-PTRXPTGYSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cnc(-c3ccco3)s2)CCO1 ZINC000238131127 407893263 /nfs/dbraw/zinc/89/32/63/407893263.db2.gz ZVFRXDKJSZHTLJ-SECBINFHSA-N -1 0 308.315 1.329 50 0 DDAARM Cc1cccc([C@@H](C)N2CCO[C@@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262814190 407944183 /nfs/dbraw/zinc/94/41/83/407944183.db2.gz GFBZKWOXSKWTLE-ZBFHGGJFSA-N -1 0 306.406 1.773 50 0 DDAARM CC(C)(C)c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)nc1 ZINC000263185463 408051105 /nfs/dbraw/zinc/05/11/05/408051105.db2.gz KRPLTGTUWUWLRP-UHFFFAOYSA-N -1 0 302.334 1.913 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2coc(-c3cccs3)n2)CCO1 ZINC000262953637 407983859 /nfs/dbraw/zinc/98/38/59/407983859.db2.gz JBUCLWCJSORMPG-JTQLQIEISA-N -1 0 322.342 1.258 50 0 DDAARM C[C@@H](C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1)n1cccn1 ZINC000263264433 408081209 /nfs/dbraw/zinc/08/12/09/408081209.db2.gz WSYQDZMCOUBJQG-QEJZJMRPSA-N -1 0 313.357 1.771 50 0 DDAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC000263360968 408119549 /nfs/dbraw/zinc/11/95/49/408119549.db2.gz UDYFVSIHYQFTRN-XJKSGUPXSA-N -1 0 307.321 1.829 50 0 DDAARM O=C([O-])c1cn(CC(=O)N(CC2CC2)c2ccccc2)nn1 ZINC000263368240 408122540 /nfs/dbraw/zinc/12/25/40/408122540.db2.gz WXYWUCNRCCORID-UHFFFAOYSA-N -1 0 300.318 1.420 50 0 DDAARM COCCOc1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000268938733 408218278 /nfs/dbraw/zinc/21/82/78/408218278.db2.gz CZFJNGMNJFRYLM-LBPRGKRZSA-N -1 0 323.345 1.028 50 0 DDAARM CC[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000191413026 408423014 /nfs/dbraw/zinc/42/30/14/408423014.db2.gz JAYMHSCMJOEFAR-AWEZNQCLSA-N -1 0 308.353 1.376 50 0 DDAARM Cc1nc2cc(F)cc(C(=O)N(C)[C@@H](C)C(=O)[O-])c2nc1C ZINC000178281767 408799372 /nfs/dbraw/zinc/79/93/72/408799372.db2.gz ITPNDORZAOHQCU-VIFPVBQESA-N -1 0 305.309 1.931 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)CCC=C3)CCO1 ZINC000263519181 163979256 /nfs/dbraw/zinc/97/92/56/163979256.db2.gz GILJNSAJIRDMKZ-HNNXBMFYSA-N -1 0 301.342 1.962 50 0 DDAARM Cc1nc(C(C)C)sc1CNC(=O)c1[nH]cnc1C(=O)[O-] ZINC000299763200 410611007 /nfs/dbraw/zinc/61/10/07/410611007.db2.gz PLMATMXWPMFNKF-UHFFFAOYSA-N -1 0 308.363 1.926 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)cn1 ZINC000647744576 423027374 /nfs/dbraw/zinc/02/73/74/423027374.db2.gz FJXSKYPQUAHIKH-WMLDXEAASA-N -1 0 311.341 1.810 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)/C=C\c2ccc3c(c2)CCO3)n1 ZINC000492154773 416635843 /nfs/dbraw/zinc/63/58/43/416635843.db2.gz KQBVLBOBNBUALI-RQOWECAXSA-N -1 0 313.313 1.555 50 0 DDAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)cc1F ZINC000036885481 418415424 /nfs/dbraw/zinc/41/54/24/418415424.db2.gz KTYLDCKZYFILNQ-UHFFFAOYSA-N -1 0 301.339 1.619 50 0 DDAARM Cc1[n-]n(C)c(=O)c1CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000101870315 418494541 /nfs/dbraw/zinc/49/45/41/418494541.db2.gz DZIOKCIWVPJNRQ-UKRRQHHQSA-N -1 0 317.364 1.996 50 0 DDAARM Cc1ccc(C)c(OCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000299742747 229379988 /nfs/dbraw/zinc/37/99/88/229379988.db2.gz KCFBUNDBYNPDGV-CQSZACIVSA-N -1 0 307.346 1.384 50 0 DDAARM CCCCOc1ncccc1CNC(=O)CCCc1nnn[n-]1 ZINC000585120810 422306721 /nfs/dbraw/zinc/30/67/21/422306721.db2.gz MRJMWUAEJYNGRW-UHFFFAOYSA-N -1 0 318.381 1.413 50 0 DDAARM COc1ccc([C@H](NC(=O)Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000345777949 272332036 /nfs/dbraw/zinc/33/20/36/272332036.db2.gz MYZKPGJGEIUDDH-AWEZNQCLSA-N -1 0 303.318 1.142 50 0 DDAARM CC(C)(C)c1ncsc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000236768363 278573444 /nfs/dbraw/zinc/57/34/44/278573444.db2.gz YSXJUGJIWZTQNJ-VIFPVBQESA-N -1 0 312.391 1.756 50 0 DDAARM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237192736 295381108 /nfs/dbraw/zinc/38/11/08/295381108.db2.gz YKCNDZNDOCKGCV-DGCLKSJQSA-N -1 0 306.362 1.421 50 0 DDAARM C[C@@]1(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCOC1 ZINC000262975499 297863804 /nfs/dbraw/zinc/86/38/04/297863804.db2.gz KHSWEAVGCWIXFR-VXGBXAGGSA-N -1 0 309.284 1.669 50 0 DDAARM NC(=O)C1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1 ZINC000492169948 303239386 /nfs/dbraw/zinc/23/93/86/303239386.db2.gz NJRPUYXAJWNBIE-UTCJRWHESA-N -1 0 302.330 1.122 50 0 DDAARM Cc1cccc(CC[N@H+]2CCc3c(c(C(=O)[O-])nn3C)C2)n1 ZINC000534584145 334288451 /nfs/dbraw/zinc/28/84/51/334288451.db2.gz PGEVAURLKOVSHN-UHFFFAOYSA-N -1 0 300.362 1.423 50 0 DDAARM Cn1nc(C(=O)[O-])c2c1CCN(Cc1ccc3cc[nH]c3n1)C2 ZINC000534656984 334314453 /nfs/dbraw/zinc/31/44/53/334314453.db2.gz SNKQKEYOTUMXKG-UHFFFAOYSA-N -1 0 311.345 1.553 50 0 DDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000299747819 533743551 /nfs/dbraw/zinc/74/35/51/533743551.db2.gz FEAOPICPKJRQIT-QLFBSQMISA-N -1 0 319.357 1.501 50 0 DDAARM C[C@@](NC(=O)c1ccc2c(c1)NC(=O)CS2)(C(=O)[O-])C1CC1 ZINC000299745475 534261149 /nfs/dbraw/zinc/26/11/49/534261149.db2.gz ZMDQESIZHYMAAE-HNNXBMFYSA-N -1 0 320.370 1.714 50 0 DDAARM Cc1noc(COCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000299750368 534416912 /nfs/dbraw/zinc/41/69/12/534416912.db2.gz NGWBUPCZMMDSAQ-WOPDTQHZSA-N -1 0 323.349 1.139 50 0 DDAARM C/C(=C/C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccncc1 ZINC000124985302 696747813 /nfs/dbraw/zinc/74/78/13/696747813.db2.gz CCRXWXYOBRJQOM-GAJOTYCWSA-N -1 0 324.402 1.500 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000263442635 698506950 /nfs/dbraw/zinc/50/69/50/698506950.db2.gz MQXNQNCJSJKPOL-HNNXBMFYSA-N -1 0 311.382 1.084 50 0 DDAARM O=C([O-])C[C@H](NC(=O)CCn1ccnc1)c1ccc(F)cc1 ZINC000887557347 709070720 /nfs/dbraw/zinc/07/07/20/709070720.db2.gz JIWWPUWPTLSOBL-ZDUSSCGKSA-N -1 0 305.309 1.745 50 0 DDAARM Cc1onc(CO)c1C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000888096860 709212026 /nfs/dbraw/zinc/21/20/26/709212026.db2.gz ODSNOCHRCJSAIU-UJNFCWOMSA-N -1 0 310.350 1.341 50 0 DDAARM CCc1ccccc1OC1CN(C(=O)N[C@H](CC)C(=O)[O-])C1 ZINC000822564361 758222146 /nfs/dbraw/zinc/22/21/46/758222146.db2.gz XPMNWZKIYXECHV-CYBMUJFWSA-N -1 0 306.362 1.885 50 0 DDAARM CCc1ccc(S(=O)(=O)[N-]c2n[nH]c3ncnn23)cc1CC ZINC000585129739 771961830 /nfs/dbraw/zinc/96/18/30/771961830.db2.gz UNMGWWSJYQSCQN-UHFFFAOYSA-N -1 0 320.378 1.378 50 0 DDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CSc2nccc(C)n2)C1 ZINC000299781672 529519888 /nfs/dbraw/zinc/51/98/88/529519888.db2.gz ICQSEBYEXDYYPM-OAHLLOKOSA-N -1 0 323.418 1.981 50 0 DDAARM CCn1ccnc1[C@H](C)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263345778 539276070 /nfs/dbraw/zinc/27/60/70/539276070.db2.gz OOMICLCUXISSBS-GRYCIOLGSA-N -1 0 308.382 1.716 50 0 DDAARM COC(=O)c1cn(-c2ccc(C(=O)[O-])cc2)cc2c(=O)[nH]nc1-2 ZINC000253414712 186310158 /nfs/dbraw/zinc/31/01/58/186310158.db2.gz YIGKNPPTMFKEGN-UHFFFAOYSA-N -1 0 313.269 1.150 50 0 DDAARM COc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)nc1 ZINC000225633096 186284845 /nfs/dbraw/zinc/28/48/45/186284845.db2.gz BIMWLVZNYYWSFF-UHFFFAOYSA-N -1 0 305.359 1.775 50 0 DDAARM CN(C)c1ccccc1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000079106597 353550091 /nfs/dbraw/zinc/55/00/91/353550091.db2.gz WRCFSYKIUCFTPX-UHFFFAOYSA-N -1 0 314.798 1.940 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CCc1c[nH]c2ccccc12 ZINC000004090585 181071656 /nfs/dbraw/zinc/07/16/56/181071656.db2.gz ZRSLRYTUCRMAJR-RISCZKNCSA-N -1 0 302.330 1.147 50 0 biogenic DDAARM COc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1OC ZINC000004292242 181093669 /nfs/dbraw/zinc/09/36/69/181093669.db2.gz ITDNHZQOLLHIJC-UHFFFAOYSA-N -1 0 322.346 1.325 50 0 DDAARM COc1ccc(CCNC(=O)C[C@H](C)CC(=O)[O-])cc1OC ZINC000004784815 181152060 /nfs/dbraw/zinc/15/20/60/181152060.db2.gz MGJDABHOPKBQLG-NSHDSACASA-N -1 0 309.362 1.863 50 0 DDAARM O=C([O-])COCC(=O)Nc1ccc(Br)cc1F ZINC000004784788 181152109 /nfs/dbraw/zinc/15/21/09/181152109.db2.gz WSWJRRMUIUKCHC-UHFFFAOYSA-N -1 0 306.087 1.628 50 0 DDAARM CC[C@H](C(=O)[O-])C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000585134330 354811135 /nfs/dbraw/zinc/81/11/35/354811135.db2.gz NNEZLTHQXQNOEW-ZDUSSCGKSA-N -1 0 310.394 1.348 50 0 DDAARM O=C([O-])C[S@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005249074 181220998 /nfs/dbraw/zinc/22/09/98/181220998.db2.gz JRFTZOQBJKTCJV-FQEVSTJZSA-N -1 0 309.265 1.477 50 0 DDAARM O=C([O-])CCN1C(=O)N[C@@]2(CCCCc3ccccc32)C1=O ZINC000012785615 304052557 /nfs/dbraw/zinc/05/25/57/304052557.db2.gz QASLOHVMVJDLSN-MRXNPFEDSA-N -1 0 302.330 1.635 50 0 DDAARM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000005894605 181293780 /nfs/dbraw/zinc/29/37/80/181293780.db2.gz YYPLTSZGZCLXHC-ALCCZGGFSA-N -1 0 311.359 1.578 50 0 DDAARM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000237618887 202306928 /nfs/dbraw/zinc/30/69/28/202306928.db2.gz OGOFVYIGIXRJQK-SUHUHFCYSA-N -1 0 304.346 1.043 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237637380 202312405 /nfs/dbraw/zinc/31/24/05/202312405.db2.gz WTHOXYKIKBVFTB-AEGPPILISA-N -1 0 303.358 1.801 50 0 DDAARM Cn1c2ccccc2c(Cl)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237713242 202334458 /nfs/dbraw/zinc/33/44/58/202334458.db2.gz LOUCHXNUYPDMTC-LLVKDONJSA-N -1 0 322.748 1.757 50 0 DDAARM Cn1cc(-c2ncc(C(=O)N3CC[C@@H](C(=O)[O-])C3)s2)cn1 ZINC000237719686 202338651 /nfs/dbraw/zinc/33/86/51/202338651.db2.gz LPENVCMSZYQIGC-MRVPVSSYSA-N -1 0 306.347 1.090 50 0 DDAARM Cc1nc2cc(F)ccc2cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237745776 202343957 /nfs/dbraw/zinc/34/39/57/202343957.db2.gz KWFFFVJPPKMEAS-CQSZACIVSA-N -1 0 318.304 1.608 50 0 DDAARM O=C([O-])Cn1nccc1[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000426634162 304091443 /nfs/dbraw/zinc/09/14/43/304091443.db2.gz JIHBREHSHVRNKZ-ZDUSSCGKSA-N -1 0 321.377 1.100 50 0 DDAARM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000194449102 201229201 /nfs/dbraw/zinc/22/92/01/201229201.db2.gz OOHYQHJCSCBNLQ-YNEHKIRRSA-N -1 0 324.421 1.783 50 0 DDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000006658101 181366482 /nfs/dbraw/zinc/36/64/82/181366482.db2.gz ACSHDYGHYZZKSZ-YGRLFVJLSA-N -1 0 323.345 1.707 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)cn1 ZINC000006700326 181373124 /nfs/dbraw/zinc/37/31/24/181373124.db2.gz HFTQOTURFJHBEH-UHFFFAOYSA-N -1 0 323.374 1.799 50 0 DDAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cn(C)nc2C)c1 ZINC000006706417 181375325 /nfs/dbraw/zinc/37/53/25/181375325.db2.gz PZUYABPXACTZJQ-UHFFFAOYSA-N -1 0 323.374 1.624 50 0 DDAARM Cc1noc(C)c1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091745313 193100057 /nfs/dbraw/zinc/10/00/57/193100057.db2.gz QURRLCMVZOLUJS-UONOGXRCSA-N -1 0 306.362 1.793 50 0 DDAARM CC(C)Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n(C)n1 ZINC000091858013 193119195 /nfs/dbraw/zinc/11/91/95/193119195.db2.gz QOTXSZRMPTYTLC-UONOGXRCSA-N -1 0 319.405 1.801 50 0 DDAARM C[C@@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000030836196 296138802 /nfs/dbraw/zinc/13/88/02/296138802.db2.gz JCIYZTBXUJCAMW-SNVBAGLBSA-N -1 0 322.386 1.657 50 0 DDAARM O=C([O-])c1cccc(CC(=O)N(C[C@H]2CCOC2)C2CC2)c1 ZINC000262190064 203223924 /nfs/dbraw/zinc/22/39/24/203223924.db2.gz NGEDDXAEKMAXCO-CYBMUJFWSA-N -1 0 303.358 1.955 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1ccccc1=O ZINC000262349692 203268657 /nfs/dbraw/zinc/26/86/57/203268657.db2.gz HFQBDZHXPJCSJI-XQQFMLRXSA-N -1 0 304.346 1.093 50 0 DDAARM CC[C@@](NC(=O)c1snnc1C)(C(=O)[O-])c1ccccc1 ZINC000262534795 203320968 /nfs/dbraw/zinc/32/09/68/203320968.db2.gz QANVVRWHQSCPQK-AWEZNQCLSA-N -1 0 305.359 1.966 50 0 DDAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)no1 ZINC000095385068 193441781 /nfs/dbraw/zinc/44/17/81/193441781.db2.gz HDLSSTVNGHRGHS-LBPRGKRZSA-N -1 0 306.322 1.523 50 0 DDAARM COCCNC(=O)COc1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000013423171 181849066 /nfs/dbraw/zinc/84/90/66/181849066.db2.gz KOMGDFQWDUUQEB-UHFFFAOYSA-N -1 0 322.144 1.833 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000238077984 304184668 /nfs/dbraw/zinc/18/46/68/304184668.db2.gz VCDDIUJKPKPTBM-XVJNWHFHSA-N -1 0 311.341 1.961 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000037462823 182896638 /nfs/dbraw/zinc/89/66/38/182896638.db2.gz YMTHXYYRKOJVDN-AOOOYVTPSA-N -1 0 314.363 1.151 50 0 DDAARM CCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1OC ZINC000101675549 193834855 /nfs/dbraw/zinc/83/48/55/193834855.db2.gz DGFRAZPULVYPBT-JTQLQIEISA-N -1 0 317.305 1.064 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@@H]1OCCc2ccccc21 ZINC000268979381 304199624 /nfs/dbraw/zinc/19/96/24/304199624.db2.gz MCOPVVRXZCCUKJ-KGLIPLIRSA-N -1 0 305.330 1.003 50 0 DDAARM CCN(CC)S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000241653394 284750582 /nfs/dbraw/zinc/75/05/82/284750582.db2.gz PUUFPZINZBTQIE-UTUOFQBUSA-N -1 0 304.412 1.291 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000268944007 207107343 /nfs/dbraw/zinc/10/73/43/207107343.db2.gz GGZKSKOXJDQOJZ-HNNXBMFYSA-N -1 0 321.373 1.718 50 0 DDAARM CN(C(=O)Cn1[n-]c(=O)ccc1=O)[C@@H]1CCCc2ccccc21 ZINC000065554457 184365465 /nfs/dbraw/zinc/36/54/65/184365465.db2.gz FPYOEGHXXILTNL-CQSZACIVSA-N -1 0 313.357 1.073 50 0 DDAARM O=C([O-])c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000003896120 304253233 /nfs/dbraw/zinc/25/32/33/304253233.db2.gz FBNLTQGIRRAGRY-UHFFFAOYSA-N -1 0 312.318 1.206 50 0 DDAARM C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C[C@@H](C)O1 ZINC000000540880 257213592 /nfs/dbraw/zinc/21/35/92/257213592.db2.gz ZJOGADBZWGFYOX-BZPMIXESSA-N -1 0 306.362 1.501 50 0 DDAARM CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268885707 257237597 /nfs/dbraw/zinc/23/75/97/257237597.db2.gz GBTWWFDQPUKYTR-TUAOUCFPSA-N -1 0 305.330 1.746 50 0 DDAARM COc1ccccc1[C@@H](C)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268977143 257256730 /nfs/dbraw/zinc/25/67/30/257256730.db2.gz KOZXJSOCTXSKDB-AAEUAGOBSA-N -1 0 307.346 1.501 50 0 DDAARM COc1ccccc1/C(C)=C/C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268977186 257256917 /nfs/dbraw/zinc/25/69/17/257256917.db2.gz KSGOARUBRAMAGC-YGNAEDSMSA-N -1 0 305.330 1.411 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000268982307 257257176 /nfs/dbraw/zinc/25/71/76/257257176.db2.gz NLWMYEWWLQFMRY-WZRBSPASSA-N -1 0 311.284 1.380 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000492294669 533242711 /nfs/dbraw/zinc/24/27/11/533242711.db2.gz JKYGMDUKSQHRGS-FWPCIQOSSA-N -1 0 305.330 1.793 50 0 DDAARM COc1cccc(Cl)c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299749677 533553176 /nfs/dbraw/zinc/55/31/76/533553176.db2.gz LHKWQAFMMHWNCZ-SECBINFHSA-N -1 0 313.737 1.664 50 0 DDAARM O=CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(F)ccc32)CC1 ZINC000020745261 406887328 /nfs/dbraw/zinc/88/73/28/406887328.db2.gz XTDSRDUNMLTKBC-CQSZACIVSA-N -1 0 305.309 1.207 50 0 DDAARM COc1cc2ncnc(N3CCC[C@@H](C(=O)[O-])C3)c2cc1OC ZINC000020762486 406887380 /nfs/dbraw/zinc/88/73/80/406887380.db2.gz AWBYEVQSKRPFMX-SNVBAGLBSA-N -1 0 317.345 1.948 50 0 DDAARM Cc1nnc(SCc2cc(=O)n3ccsc3n2)[n-]c1=O ZINC000024746973 406892818 /nfs/dbraw/zinc/89/28/18/406892818.db2.gz VSFBKRLLYBVDPI-UHFFFAOYSA-N -1 0 307.360 1.247 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000034926301 406965510 /nfs/dbraw/zinc/96/55/10/406965510.db2.gz ZBUDMDXRASMIIO-KGLIPLIRSA-N -1 0 302.374 1.692 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000034926329 406965681 /nfs/dbraw/zinc/96/56/81/406965681.db2.gz JNDLTSPAFDKPHR-KGLIPLIRSA-N -1 0 320.364 1.831 50 0 DDAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000028196551 406916014 /nfs/dbraw/zinc/91/60/14/406916014.db2.gz AZCXOOMBGXAXKX-UHFFFAOYSA-N -1 0 321.358 1.127 50 0 DDAARM Cc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c(C)n1C(C)C ZINC000075093035 406921401 /nfs/dbraw/zinc/92/14/01/406921401.db2.gz YFZRCLIHNCYOPU-UHFFFAOYSA-N -1 0 305.382 1.460 50 0 DDAARM O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccc(F)cc1OCC1CC1 ZINC000075110231 406921704 /nfs/dbraw/zinc/92/17/04/406921704.db2.gz SHUSJZAROWNECS-UHFFFAOYSA-N -1 0 321.312 1.348 50 0 DDAARM CC(C)NC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000075476414 406932734 /nfs/dbraw/zinc/93/27/34/406932734.db2.gz TTWGGBQWZVBETP-UHFFFAOYSA-N -1 0 308.363 1.349 50 0 DDAARM O=C([O-])CCNC(=O)COc1ccc(F)cc1Br ZINC000036966758 406984988 /nfs/dbraw/zinc/98/49/88/406984988.db2.gz KXKNTRNAAXNGJF-UHFFFAOYSA-N -1 0 320.114 1.558 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CCO1 ZINC000049864788 407124721 /nfs/dbraw/zinc/12/47/21/407124721.db2.gz QLFFSIYQKKHNDD-JTQLQIEISA-N -1 0 309.318 1.966 50 0 DDAARM O=C([O-])c1ccccc1-c1cn(Cc2nnc3ccccn32)nn1 ZINC000095379668 407211812 /nfs/dbraw/zinc/21/18/12/407211812.db2.gz WUQVZOMEOUYCNZ-UHFFFAOYSA-N -1 0 320.312 1.734 50 0 DDAARM CCCc1cc(C(=O)NCCc2nc(C)c(C(=O)[O-])s2)[nH]n1 ZINC000095379197 407212740 /nfs/dbraw/zinc/21/27/40/407212740.db2.gz UPHAYGWQCLFIQE-UHFFFAOYSA-N -1 0 322.390 1.798 50 0 DDAARM Cc1nnc(CN(C)[C@H](C(=O)[O-])c2ccc3c(c2)OCO3)o1 ZINC000095387706 407213665 /nfs/dbraw/zinc/21/36/65/407213665.db2.gz PLZTYSPGRCJLDH-ZDUSSCGKSA-N -1 0 305.290 1.364 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCCCC1)C1CCC(F)(F)CC1 ZINC000095976178 407219618 /nfs/dbraw/zinc/21/96/18/407219618.db2.gz NYKQMTVEFHNYSC-UHFFFAOYSA-N -1 0 310.366 1.659 50 0 DDAARM CCc1cc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])ccn1 ZINC000096139089 407239756 /nfs/dbraw/zinc/23/97/56/407239756.db2.gz NHPIZQOMXGCXBZ-CYBMUJFWSA-N -1 0 300.318 1.019 50 0 DDAARM O=C([O-])CN(C[C@H]1CCCO1)C(=O)/C=C\c1ccc(F)cc1 ZINC000098052979 407304967 /nfs/dbraw/zinc/30/49/67/407304967.db2.gz BYDGXPDQWNDJDL-BMWLXYDHSA-N -1 0 307.321 1.931 50 0 DDAARM O=S(=O)(Cc1ccccc1)Nc1cncnc1-n1cccn1 ZINC000127224113 407431052 /nfs/dbraw/zinc/43/10/52/407431052.db2.gz LMXSIURVMGSYPD-UHFFFAOYSA-N -1 0 315.358 1.604 50 0 DDAARM CC(C)CS(=O)(=O)[N-]C(=O)c1cnc([C@H]2CCCO2)s1 ZINC000128008709 407487701 /nfs/dbraw/zinc/48/77/01/407487701.db2.gz DGXYQMGVKMPQJL-SECBINFHSA-N -1 0 318.420 1.710 50 0 DDAARM COc1ccc([C@@]2(C(=O)NCc3nnn[n-]3)CC2(C)C)cc1 ZINC000216339189 407496878 /nfs/dbraw/zinc/49/68/78/407496878.db2.gz XGWONGITDRAZJH-OAHLLOKOSA-N -1 0 301.350 1.192 50 0 DDAARM CCn1nc(C)cc1C(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000220095621 407538570 /nfs/dbraw/zinc/53/85/70/407538570.db2.gz UQATYTMSXIRKSG-UHFFFAOYSA-N -1 0 317.345 1.718 50 0 DDAARM Cc1nc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)n[nH]1 ZINC000128506239 407542692 /nfs/dbraw/zinc/54/26/92/407542692.db2.gz CHYGMOULKRZBLR-CYBMUJFWSA-N -1 0 314.345 1.717 50 0 DDAARM O=C(NCCCc1nc(=O)[n-][nH]1)c1coc(C2CCCCC2)n1 ZINC000225775960 407605292 /nfs/dbraw/zinc/60/52/92/407605292.db2.gz MRWUOVHNEHCIFR-UHFFFAOYSA-N -1 0 319.365 1.496 50 0 DDAARM O=C([O-])CCC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1 ZINC000116342168 407745709 /nfs/dbraw/zinc/74/57/09/407745709.db2.gz IFLZTXOBUAJVHK-UHFFFAOYSA-N -1 0 303.362 1.831 50 0 DDAARM Cc1ncc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c(C)n1 ZINC000262976306 407991007 /nfs/dbraw/zinc/99/10/07/407991007.db2.gz TVTKYTPQRSGMJR-AWEZNQCLSA-N -1 0 317.320 1.831 50 0 DDAARM CNC(=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cn1 ZINC000263021077 408004120 /nfs/dbraw/zinc/00/41/20/408004120.db2.gz YGLWAFQKGOCXIN-LLVKDONJSA-N -1 0 319.361 1.158 50 0 DDAARM COCc1cccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000263528294 408164471 /nfs/dbraw/zinc/16/44/71/408164471.db2.gz LDWUKVRCSYQWTH-CQSZACIVSA-N -1 0 307.346 1.078 50 0 DDAARM O=C([O-])c1ccccc1CCC(=O)N1CCOC[C@H]1C1CC1 ZINC000263547544 408169491 /nfs/dbraw/zinc/16/94/91/408169491.db2.gz USIWVSWUVRKHAT-HNNXBMFYSA-N -1 0 303.358 1.955 50 0 DDAARM O=C([O-])CCCN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000151175939 408270866 /nfs/dbraw/zinc/27/08/66/408270866.db2.gz PIIMTQBWTLSKKD-UHFFFAOYSA-N -1 0 310.781 1.849 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cn(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193026990 408684704 /nfs/dbraw/zinc/68/47/04/408684704.db2.gz STWZGKVVWPEJCL-NHYWBVRUSA-N -1 0 309.366 1.117 50 0 DDAARM Cc1cccc2c(O)c(C(=O)NCCc3ccnn3C)cnc12 ZINC000166994328 408816705 /nfs/dbraw/zinc/81/67/05/408816705.db2.gz IEYFFQSHYKPIHB-UHFFFAOYSA-N -1 0 310.357 1.955 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000262439377 163829555 /nfs/dbraw/zinc/82/95/55/163829555.db2.gz UGXWPDJYDSSWOA-SECBINFHSA-N -1 0 316.361 1.491 50 0 DDAARM COc1cc(C)c(NC(=O)Cn2cc(C(=O)[O-])nn2)c(C)c1C ZINC000263517938 163978654 /nfs/dbraw/zinc/97/86/54/163978654.db2.gz FQMACFZCZADUMN-UHFFFAOYSA-N -1 0 318.333 1.549 50 0 DDAARM Cc1ccc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c(C)nc2c1 ZINC000299751523 410605036 /nfs/dbraw/zinc/60/50/36/410605036.db2.gz QUMSLJORBQJUCX-OAHLLOKOSA-N -1 0 314.341 1.777 50 0 DDAARM O=C([O-])c1n[nH]c2c1CN(C(=O)CCc1ccsc1)CC2 ZINC000299755005 410605850 /nfs/dbraw/zinc/60/58/50/410605850.db2.gz BIRMWEBBEKLPMN-UHFFFAOYSA-N -1 0 305.359 1.687 50 0 DDAARM Cc1nc(C)c(C(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])s1 ZINC000299778517 410620425 /nfs/dbraw/zinc/62/04/25/410620425.db2.gz QFFNKPGUYLWZKZ-JTQLQIEISA-N -1 0 306.347 1.307 50 0 DDAARM Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744820 423027574 /nfs/dbraw/zinc/02/75/74/423027574.db2.gz LIPCAMCIPBGUBL-QMMMGPOBSA-N -1 0 306.322 1.705 50 0 DDAARM Cc1cnc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)s1 ZINC000069367289 418488067 /nfs/dbraw/zinc/48/80/67/418488067.db2.gz LPLBFFVSWQPXSL-UHFFFAOYSA-N -1 0 322.367 2.359 50 0 DDAARM C[C@H](CO)N(CC1CCC1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000170086167 418517584 /nfs/dbraw/zinc/51/75/84/418517584.db2.gz ISBOJWULWHCYOB-LLVKDONJSA-N -1 0 315.373 1.546 50 0 DDAARM C[C@@H](CO)N(CC1CCC1)C(=O)c1n[n-]c2ccccc2c1=O ZINC000170086165 418517670 /nfs/dbraw/zinc/51/76/70/418517670.db2.gz ISBOJWULWHCYOB-NSHDSACASA-N -1 0 315.373 1.546 50 0 DDAARM CCC[C@@H](NC(=O)c1[nH]nc(N)c1-c1ccccc1)C(=O)[O-] ZINC000426497083 419490394 /nfs/dbraw/zinc/49/03/94/419490394.db2.gz DIJYEDZBOIMTMF-SNVBAGLBSA-N -1 0 302.334 1.642 50 0 DDAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)NCC2CCOCC2)c1 ZINC000426392644 419458478 /nfs/dbraw/zinc/45/84/78/419458478.db2.gz BOYSSHYSGAQYBC-UHFFFAOYSA-N -1 0 322.361 1.284 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2)n[nH]1 ZINC000299743660 229382339 /nfs/dbraw/zinc/38/23/39/229382339.db2.gz OKXLKSKWRCZVOR-LBPRGKRZSA-N -1 0 300.318 1.327 50 0 DDAARM Cc1cc(C)c(C)c(OCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000299749627 229392645 /nfs/dbraw/zinc/39/26/45/229392645.db2.gz LBRIHODGFQSXRV-OAHLLOKOSA-N -1 0 321.373 1.693 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000634804920 422658219 /nfs/dbraw/zinc/65/82/19/422658219.db2.gz XZQCRAXLUCFXMX-JTQLQIEISA-N -1 0 313.304 1.774 50 0 DDAARM Cc1nc(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c(C)s1 ZINC000655596544 424586776 /nfs/dbraw/zinc/58/67/76/424586776.db2.gz GRTHLSPYBVTMLE-CYBMUJFWSA-N -1 0 319.386 1.510 50 0 DDAARM CCc1ocnc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000095969914 288670191 /nfs/dbraw/zinc/67/01/91/288670191.db2.gz NSNCSWCZHHYVGY-LBPRGKRZSA-N -1 0 300.314 1.889 50 0 DDAARM CN1Cc2ccccc2C[C@@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000095382921 290312341 /nfs/dbraw/zinc/31/23/41/290312341.db2.gz KJAGOUCUWPUHTI-CQSZACIVSA-N -1 0 302.374 1.557 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000003349530 295099125 /nfs/dbraw/zinc/09/91/25/295099125.db2.gz ZFKAVMZVNPQZBV-SNVBAGLBSA-N -1 0 313.375 1.957 50 0 DDAARM COc1cccc([C@@H]2C[C@@H](O)CN2c2cnc(C(=O)[O-])cn2)c1 ZINC000263375079 295317460 /nfs/dbraw/zinc/31/74/60/295317460.db2.gz BFDQTVWVLNTYIC-RISCZKNCSA-N -1 0 315.329 1.496 50 0 DDAARM COc1ccccc1N1CC[C@@H](N2CCCC[C@@H]2C(=O)[O-])C1=O ZINC000262249311 295368637 /nfs/dbraw/zinc/36/86/37/295368637.db2.gz CYOXPFZAHWDMKY-ZIAGYGMSSA-N -1 0 318.373 1.740 50 0 DDAARM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170996 295555597 /nfs/dbraw/zinc/55/55/97/295555597.db2.gz YDQJFHOKSMRKDH-NSHDSACASA-N -1 0 311.359 1.027 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000263544242 298200791 /nfs/dbraw/zinc/20/07/91/298200791.db2.gz FWVFEKGIMRLCQL-LJUAHTATSA-N -1 0 324.764 1.449 50 0 DDAARM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(=S)n(C[C@@H]3CCCO3)c2n1 ZINC000012394886 301151650 /nfs/dbraw/zinc/15/16/50/301151650.db2.gz OHFVIFSASRRCMW-QMMMGPOBSA-N -1 0 321.358 1.266 50 0 DDAARM Cc1cc(C)n(CCNC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000072405432 301239417 /nfs/dbraw/zinc/23/94/17/301239417.db2.gz AKJQLCYNDOSDTO-UHFFFAOYSA-N -1 0 301.346 1.557 50 0 DDAARM Cc1nn2c([n-]1)ncc(C(=O)N[C@@H]1CCc3ccccc3C1)c2=O ZINC000220476665 302645773 /nfs/dbraw/zinc/64/57/73/302645773.db2.gz OHTUDLADDYJOCF-CYBMUJFWSA-N -1 0 323.356 1.013 50 0 DDAARM Cn1cnc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)n1 ZINC000263467811 303012309 /nfs/dbraw/zinc/01/23/09/303012309.db2.gz WZVIIQAWQKLCBY-ZDUSSCGKSA-N -1 0 314.345 1.561 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 ZINC000532602585 303292216 /nfs/dbraw/zinc/29/22/16/303292216.db2.gz SIMIGBKNDOFPAA-UHFFFAOYSA-N -1 0 321.329 1.164 50 0 DDAARM CCOc1cc2c(cc1CN1C[C@H](O)C[C@H]1C(=O)[O-])CCC2 ZINC000534592830 334294943 /nfs/dbraw/zinc/29/49/43/334294943.db2.gz SUNSYCJIHWAASD-CABCVRRESA-N -1 0 305.374 1.594 50 0 DDAARM CCn1nc(C)cc1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659201366 484684200 /nfs/dbraw/zinc/68/42/00/484684200.db2.gz YHHJZCQASLMCGF-UHFFFAOYSA-N -1 0 305.338 1.480 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc2c1OCO2)C1CCOCC1 ZINC000299751753 534498399 /nfs/dbraw/zinc/49/83/99/534498399.db2.gz ROUMMOZXVXBJIY-UHFFFAOYSA-N -1 0 307.302 1.121 50 0 DDAARM COCCNc1ncc(C(=O)[O-])c(-c2ccc(OC)cc2)n1 ZINC000169751236 563897161 /nfs/dbraw/zinc/89/71/61/563897161.db2.gz GDILXHGHCRHINH-UHFFFAOYSA-N -1 0 303.318 1.909 50 0 DDAARM O=C([O-])C[C@@H]1SC(=NN=C/C=C/c2ccccc2)NC1=O ZINC000390825662 563937940 /nfs/dbraw/zinc/93/79/40/563937940.db2.gz MDTSDNQPTIRIRQ-AFQKRUMTSA-N -1 0 303.343 1.748 50 0 DDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000263531398 698511892 /nfs/dbraw/zinc/51/18/92/698511892.db2.gz WRQCMIYLWXDRMH-RKDXNWHRSA-N -1 0 319.329 1.839 50 0 DDAARM CNC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000606441237 699217554 /nfs/dbraw/zinc/21/75/54/699217554.db2.gz LFULUJFLHVPBGN-OYVUYXNMSA-N -1 0 302.330 1.135 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCC[C@](O)(C(=O)[O-])C2)c1 ZINC000888098686 709213291 /nfs/dbraw/zinc/21/32/91/709213291.db2.gz ORUQTQBFGDBNML-QGZVFWFLSA-N -1 0 321.373 1.454 50 0 DDAARM COc1ccc(NC(=O)CCCC(=O)[O-])cc1C(=O)N(C)C ZINC000952971321 721529712 /nfs/dbraw/zinc/52/97/12/721529712.db2.gz JSRVKTLMZDJGLZ-UHFFFAOYSA-N -1 0 308.334 1.590 50 0 DDAARM CC(C)n1cc(S(=O)(=O)[N-]c2cnc3ccnn3c2)cn1 ZINC000585129722 739394014 /nfs/dbraw/zinc/39/40/14/739394014.db2.gz SYSRYAUZHXBYFN-UHFFFAOYSA-N -1 0 306.351 1.308 50 0 DDAARM CCS(=O)(CC)=NS(=O)(=O)[N-]c1nc(C)ccc1OC ZINC000585129782 771961784 /nfs/dbraw/zinc/96/17/84/771961784.db2.gz WDIYPGAVMRFSNN-UHFFFAOYSA-N -1 0 321.424 1.563 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc(Cl)cc1Cl ZINC000088375776 185247524 /nfs/dbraw/zinc/24/75/24/185247524.db2.gz UYGMDPVHFMDXGQ-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM CCC[C@@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nnn[n-]1 ZINC000089949634 185271145 /nfs/dbraw/zinc/27/11/45/185271145.db2.gz MRJOUZKKMAVCGQ-LLVKDONJSA-N -1 0 312.337 1.052 50 0 DDAARM CCC1(CC)[C@H](N(C)C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H]1OC ZINC000263270381 282403990 /nfs/dbraw/zinc/40/39/90/282403990.db2.gz LWWUNWZVORBUIK-OLZOCXBDSA-N -1 0 321.377 1.841 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC2)[C@@H](n2cc(C3CC3)nn2)C1 ZINC000685942111 539566444 /nfs/dbraw/zinc/56/64/44/539566444.db2.gz DIFPOQQRLBCQIA-WZRBSPASSA-N -1 0 304.350 1.086 50 0 DDAARM CCc1nn(C)c(Cl)c1CN1CCOC[C@H]1CC(=O)[O-] ZINC000072157970 191060951 /nfs/dbraw/zinc/06/09/51/191060951.db2.gz ONRMTCQTYDZYMC-SECBINFHSA-N -1 0 301.774 1.311 50 0 DDAARM C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000262860416 186314692 /nfs/dbraw/zinc/31/46/92/186314692.db2.gz FIDBHOKXPABSHF-DGCLKSJQSA-N -1 0 301.346 1.606 50 0 DDAARM O=C(Cn1c(=S)[n-]c2ccccc2c1=O)NCc1ccco1 ZINC000000425336 352109146 /nfs/dbraw/zinc/10/91/46/352109146.db2.gz VBAIEROTJSGXAI-UHFFFAOYSA-N -1 0 315.354 1.968 50 0 DDAARM O=C([O-])C1(Oc2ccccc2)CCN(Cc2ncc[nH]2)CC1 ZINC000072412280 191155928 /nfs/dbraw/zinc/15/59/28/191155928.db2.gz JVPHSPBGDFITJW-UHFFFAOYSA-N -1 0 301.346 1.908 50 0 DDAARM O=C([O-])[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCO1 ZINC000072428733 191162135 /nfs/dbraw/zinc/16/21/35/191162135.db2.gz CZZGBTANUPMOIH-CYBMUJFWSA-N -1 0 305.309 1.501 50 0 DDAARM O=C([O-])C1(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2)CCC1 ZINC000262463403 304028750 /nfs/dbraw/zinc/02/87/50/304028750.db2.gz GBDWQZAAYDMSHC-CQSZACIVSA-N -1 0 316.357 1.331 50 0 DDAARM Cc1cc2c(nc(C)n([N-]C(=O)c3cnn(C)c3)c2=O)s1 ZINC000002777822 180955871 /nfs/dbraw/zinc/95/58/71/180955871.db2.gz VJKUJRWEALWQKM-UHFFFAOYSA-N -1 0 303.347 1.192 50 0 DDAARM CCOc1ccc(C(=O)CC[NH2+][C@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000002922170 180970932 /nfs/dbraw/zinc/97/09/32/180970932.db2.gz CZGKTZORIHFRPP-GFCCVEGCSA-N -1 0 309.318 1.176 50 0 DDAARM NC(=O)c1sccc1[N-]S(=O)(=O)c1ccccc1F ZINC000079106510 353550273 /nfs/dbraw/zinc/55/02/73/353550273.db2.gz XRWFIKFAUDOEIX-UHFFFAOYSA-N -1 0 300.336 1.787 50 0 DDAARM CN(C)C(=O)CSc1nnc(SCCC(=O)[O-])s1 ZINC000003329607 181006026 /nfs/dbraw/zinc/00/60/26/181006026.db2.gz OTQKJWADLOFLJQ-UHFFFAOYSA-N -1 0 307.422 1.285 50 0 DDAARM COc1ccccc1N1CC[C@H]([N-]C(=O)C(F)(F)Cl)C1=O ZINC000153095955 354196677 /nfs/dbraw/zinc/19/66/77/354196677.db2.gz OSIRSFQVXWUALV-QMMMGPOBSA-N -1 0 318.707 1.748 50 0 DDAARM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccn3)ccc2o1 ZINC000004411695 181107702 /nfs/dbraw/zinc/10/77/02/181107702.db2.gz BATJZUWEEHARNG-UHFFFAOYSA-N -1 0 302.311 1.989 50 0 DDAARM O=C([O-])Cn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000004542273 181122385 /nfs/dbraw/zinc/12/23/85/181122385.db2.gz NMSSCFWIRVIXNK-UHFFFAOYSA-N -1 0 309.119 1.757 50 0 DDAARM CC(C)(C)c1nc(S(=O)(=O)[C@H](C(N)=O)c2ccccc2)n[nH]1 ZINC000585136336 354812126 /nfs/dbraw/zinc/81/21/26/354812126.db2.gz AYLBTWLGDCZIKG-JTQLQIEISA-N -1 0 322.390 1.103 50 0 DDAARM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)n1cncn1 ZINC000004840484 181160514 /nfs/dbraw/zinc/16/05/14/181160514.db2.gz HUXRQIMWJZBVLE-JTQLQIEISA-N -1 0 324.134 1.939 50 0 DDAARM CC(C)Oc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000005018760 181191830 /nfs/dbraw/zinc/19/18/30/181191830.db2.gz HXKCKZYQUNYNPX-KPKJPENVSA-N -1 0 304.302 1.451 50 0 DDAARM O=C([O-])CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000238188097 304068982 /nfs/dbraw/zinc/06/89/82/304068982.db2.gz KVQZBYHVJLSPRA-DTWKUNHWSA-N -1 0 303.236 1.890 50 0 DDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000038534556 304074536 /nfs/dbraw/zinc/07/45/36/304074536.db2.gz HXZQYLXRUWVESW-LLVKDONJSA-N -1 0 316.279 1.481 50 0 DDAARM C[C@@H](CCc1ccccc1F)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237349293 202239980 /nfs/dbraw/zinc/23/99/80/202239980.db2.gz LPHZNFUUYLTDIF-FZMZJTMJSA-N -1 0 309.337 1.706 50 0 DDAARM C[C@H](CNC(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000237396140 202253008 /nfs/dbraw/zinc/25/30/08/202253008.db2.gz HMRPWTIAFDFXGN-LLVKDONJSA-N -1 0 304.346 1.193 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CCO1 ZINC000238196640 304077183 /nfs/dbraw/zinc/07/71/83/304077183.db2.gz GRSBTIDMHDMJAT-MGPQQGTHSA-N -1 0 307.321 1.631 50 0 DDAARM Cc1noc(C)c1C[C@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237512496 202267490 /nfs/dbraw/zinc/26/74/90/202267490.db2.gz UYELOERJQSCHEF-JOYOIKCWSA-N -1 0 310.350 1.172 50 0 DDAARM Cc1cccc(OCCCNC(=O)CN2CCC[C@H]2C(=O)[O-])c1 ZINC000237711545 202334396 /nfs/dbraw/zinc/33/43/96/202334396.db2.gz HXNPKRDXBLMUAQ-HNNXBMFYSA-N -1 0 320.389 1.429 50 0 DDAARM Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC[C@H]2C(=O)[O-])[nH]n1 ZINC000237722747 202337691 /nfs/dbraw/zinc/33/76/91/202337691.db2.gz HKYOKLWANSOVOD-LBPRGKRZSA-N -1 0 317.349 1.116 50 0 DDAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])cnn1Cc1ccccc1 ZINC000237749062 202346218 /nfs/dbraw/zinc/34/62/18/202346218.db2.gz PDCVAWBJYDAMKO-OAHLLOKOSA-N -1 0 313.357 1.929 50 0 DDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1ccc(C)cc1 ZINC000237846145 202368625 /nfs/dbraw/zinc/36/86/25/202368625.db2.gz HVNHTYAFTLOJSV-LBPRGKRZSA-N -1 0 314.345 1.431 50 0 DDAARM Cc1ccc2[nH]c(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2c1C ZINC000237857349 202372336 /nfs/dbraw/zinc/37/23/36/202372336.db2.gz DDWLTDHZBPGVEZ-AWEZNQCLSA-N -1 0 302.330 1.710 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000238098372 202441115 /nfs/dbraw/zinc/44/11/15/202441115.db2.gz GGWUCFSMQYQHAS-AWEZNQCLSA-N -1 0 312.325 1.792 50 0 DDAARM O=C([O-])CCCCNC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000238181329 202448023 /nfs/dbraw/zinc/44/80/23/202448023.db2.gz IQNKZYOGSFGCQF-LLVKDONJSA-N -1 0 324.402 1.724 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)Cc1noc2ccccc21 ZINC000262400953 304105947 /nfs/dbraw/zinc/10/59/47/304105947.db2.gz KAQSUONNQVSINI-LBPRGKRZSA-N -1 0 324.358 1.597 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262168704 304113521 /nfs/dbraw/zinc/11/35/21/304113521.db2.gz UVSASAMRJPEGHW-NSHDSACASA-N -1 0 320.370 1.810 50 0 DDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(O)c2)cs1 ZINC000006681539 181370352 /nfs/dbraw/zinc/37/03/52/181370352.db2.gz SMNJFEUFVNHMCR-UHFFFAOYSA-N -1 0 312.372 1.614 50 0 DDAARM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000006706588 181375193 /nfs/dbraw/zinc/37/51/93/181375193.db2.gz CMALPMYDJJUUMS-UHFFFAOYSA-N -1 0 322.390 1.512 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000299747480 304134758 /nfs/dbraw/zinc/13/47/58/304134758.db2.gz DDFGAVXSLQYYQM-YPMHNXCESA-N -1 0 305.330 1.255 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CCc1cccs1 ZINC000092777911 304150619 /nfs/dbraw/zinc/15/06/19/304150619.db2.gz HDMFBEOECDSHMX-LBPRGKRZSA-N -1 0 305.359 1.442 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC12CCOCC2 ZINC000299745846 304152580 /nfs/dbraw/zinc/15/25/80/304152580.db2.gz SUXUZMKOVVAOAJ-CABCVRRESA-N -1 0 315.369 1.841 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000263020429 203428815 /nfs/dbraw/zinc/42/88/15/203428815.db2.gz QFWWJTXIHFJJQG-PEYYIBSZSA-N -1 0 319.357 1.786 50 0 DDAARM O=C([O-])CCCNC(=O)c1cccn(Cc2ccccc2)c1=O ZINC000095969604 193466372 /nfs/dbraw/zinc/46/63/72/193466372.db2.gz ZDHRFKCEKVPLRS-UHFFFAOYSA-N -1 0 314.341 1.491 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)Cc2noc3ccccc32)o1 ZINC000096459884 193656899 /nfs/dbraw/zinc/65/68/99/193656899.db2.gz IBDRMZUZTCEBIL-UHFFFAOYSA-N -1 0 300.270 1.978 50 0 DDAARM O=C([O-])c1sc(Cl)cc1S(=O)(=O)N1CCOCC1 ZINC000015084534 181988738 /nfs/dbraw/zinc/98/87/38/181988738.db2.gz YZTUGMIATWHWJZ-UHFFFAOYSA-N -1 0 311.768 1.121 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000020200928 182196999 /nfs/dbraw/zinc/19/69/99/182196999.db2.gz KVVPTNITOZQRNL-RYUDHWBXSA-N -1 0 308.378 1.101 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000261770109 304180296 /nfs/dbraw/zinc/18/02/96/304180296.db2.gz VWAFSANNVNPTCD-CQSZACIVSA-N -1 0 324.402 1.229 50 0 DDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CC)n[nH]1 ZINC000021096316 182265629 /nfs/dbraw/zinc/26/56/29/182265629.db2.gz OPYATAKOTCKQLJ-UHFFFAOYSA-N -1 0 323.374 1.950 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1OC ZINC000040488303 183078555 /nfs/dbraw/zinc/07/85/55/183078555.db2.gz NYNVKFQJJYOTKZ-IUODEOHRSA-N -1 0 307.346 1.706 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2ccc(C(F)(F)F)nc2)CCSC1 ZINC000043511021 183368775 /nfs/dbraw/zinc/36/87/75/183368775.db2.gz GJIBTQJYYHYDOB-LLVKDONJSA-N -1 0 320.292 1.791 50 0 DDAARM O=C([O-])[C@]1(NC(=O)COc2ccc(F)cc2F)CCSC1 ZINC000043510320 183368860 /nfs/dbraw/zinc/36/88/60/183368860.db2.gz YEHXRQUOZPIZBL-ZDUSSCGKSA-N -1 0 317.313 1.420 50 0 DDAARM C[C@@H]1CCc2sc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2C1 ZINC000043702301 183382134 /nfs/dbraw/zinc/38/21/34/183382134.db2.gz XYTVADQQOPZADS-MWLCHTKSSA-N -1 0 309.387 1.799 50 0 DDAARM O=C([O-])c1n[nH]cc1CN1CCc2nc[nH]c2[C@@H]1c1ccoc1 ZINC000067966881 304216370 /nfs/dbraw/zinc/21/63/70/304216370.db2.gz BZZGZOWIMUTNAU-AWEZNQCLSA-N -1 0 313.317 1.572 50 0 DDAARM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907332 207074841 /nfs/dbraw/zinc/07/48/41/207074841.db2.gz PGDRMERWVYBVBD-YMTOWFKASA-N -1 0 317.297 1.823 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000268992562 207148276 /nfs/dbraw/zinc/14/82/76/207148276.db2.gz UBDWFNIHIGIPBU-SCVCMEIPSA-N -1 0 311.284 1.380 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000269038025 207186490 /nfs/dbraw/zinc/18/64/90/207186490.db2.gz PGPZIWHOLOIGDW-INIZCTEOSA-N -1 0 317.345 1.153 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000062132516 184207800 /nfs/dbraw/zinc/20/78/00/184207800.db2.gz XWUIRIIRAZCGRM-QMMMGPOBSA-N -1 0 323.292 1.801 50 0 DDAARM Cc1cn(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc12 ZINC000237784589 257237909 /nfs/dbraw/zinc/23/79/09/257237909.db2.gz QQWSWVGQBIYQTN-AWEZNQCLSA-N -1 0 302.330 1.262 50 0 DDAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O ZINC000000378451 406641590 /nfs/dbraw/zinc/64/15/90/406641590.db2.gz ICEYEDNGFRDFOR-CQSZACIVSA-N -1 0 311.293 1.684 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000009116152 406802991 /nfs/dbraw/zinc/80/29/91/406802991.db2.gz FNJZQOZDZOJFNW-UHFFFAOYSA-N -1 0 320.370 1.903 50 0 DDAARM Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1F ZINC000011566061 406829584 /nfs/dbraw/zinc/82/95/84/406829584.db2.gz HSDIRGGDJDOGQN-UHFFFAOYSA-N -1 0 301.339 1.619 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000071284285 406836276 /nfs/dbraw/zinc/83/62/76/406836276.db2.gz NWAQMSULAOFQPH-ZJUUUORDSA-N -1 0 310.737 1.734 50 0 DDAARM C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000013072073 406858430 /nfs/dbraw/zinc/85/84/30/406858430.db2.gz SKILZLKLDZFAQH-SNVBAGLBSA-N -1 0 306.343 1.819 50 0 DDAARM C[C@@]1(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)CCCCO1 ZINC000072434315 406882775 /nfs/dbraw/zinc/88/27/75/406882775.db2.gz ATPNHEYNHLMPNT-HNNXBMFYSA-N -1 0 321.377 1.245 50 0 DDAARM Cc1ccc2c(c1)/C(=C1/SC(=O)N(CC(=O)[O-])C1=O)C(=O)N2 ZINC000016711899 406883847 /nfs/dbraw/zinc/88/38/47/406883847.db2.gz JGWRVRMLRRXGPE-KHPPLWFESA-N -1 0 318.310 1.438 50 0 DDAARM CSc1nc2n(n1)[C@@H](c1cccc(O)c1)CC(C(=O)[O-])=N2 ZINC000012390070 406844265 /nfs/dbraw/zinc/84/42/65/406844265.db2.gz RBRCIERQTITSDR-SNVBAGLBSA-N -1 0 304.331 1.689 50 0 DDAARM O=C([O-])CS(=O)(=O)Cc1ccc(Br)cc1F ZINC000035284980 406970381 /nfs/dbraw/zinc/97/03/81/406970381.db2.gz SCJLCTMZALNGJE-UHFFFAOYSA-N -1 0 311.128 1.588 50 0 DDAARM CC[C@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)[O-])C1=O ZINC000033518123 406962059 /nfs/dbraw/zinc/96/20/59/406962059.db2.gz XIFVUTTTWAPFFS-GFCCVEGCSA-N -1 0 320.345 1.172 50 0 DDAARM O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000033566673 406963041 /nfs/dbraw/zinc/96/30/41/406963041.db2.gz OTXQVQFARWTDCU-SKVAFPRGSA-N -1 0 318.329 1.175 50 0 DDAARM Cc1[nH]c2c(-c3ccccc3)c(=O)[nH]n2c(=O)c1CCC(=O)[O-] ZINC000049538564 407121773 /nfs/dbraw/zinc/12/17/73/407121773.db2.gz SWEKWCAWVCDZND-UHFFFAOYSA-N -1 0 313.313 1.309 50 0 DDAARM COC(=O)C[C@@H](c1ccco1)c1c([O-])nc2ccccn2c1=O ZINC000096222393 407253253 /nfs/dbraw/zinc/25/32/53/407253253.db2.gz SYVQIMFUQYSDIY-JTQLQIEISA-N -1 0 314.297 1.688 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2coc(Br)c2)C1 ZINC000095947197 407216006 /nfs/dbraw/zinc/21/60/06/407216006.db2.gz YUIYLHIWZINYAB-ZETCQYMHSA-N -1 0 302.124 1.979 50 0 DDAARM C[C@@H](CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)[O-] ZINC000095970491 407218638 /nfs/dbraw/zinc/21/86/38/407218638.db2.gz HPNFVWVSYQBBMV-RYUDHWBXSA-N -1 0 322.361 1.311 50 0 DDAARM CN(C)c1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c(F)c1 ZINC000095976999 407219365 /nfs/dbraw/zinc/21/93/65/407219365.db2.gz JJVRRPQXMRSAPZ-SNVBAGLBSA-N -1 0 318.356 1.425 50 0 DDAARM COc1ccc(-c2n[nH]cc2CN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000067842417 407286950 /nfs/dbraw/zinc/28/69/50/407286950.db2.gz BDTHKOKAOSWFEN-NSHDSACASA-N -1 0 315.329 1.518 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(c3ccccc3)=NO2)o1 ZINC000170656566 407469575 /nfs/dbraw/zinc/46/95/75/407469575.db2.gz DBDPZZIPNGTNEH-AWEZNQCLSA-N -1 0 314.297 1.787 50 0 DDAARM Cc1ccc(C2(C(=O)N3CCOC[C@H]3CC(=O)[O-])CC2)cc1 ZINC000219218011 407529313 /nfs/dbraw/zinc/52/93/13/407529313.db2.gz JYLUOIQNKMCPCL-CQSZACIVSA-N -1 0 303.358 1.729 50 0 DDAARM CC(C)CN(CCC(=O)[O-])C(=O)CNC(=O)c1cccc(F)c1 ZINC000236712895 407757985 /nfs/dbraw/zinc/75/79/85/407757985.db2.gz SZAIPPNFBOERRP-UHFFFAOYSA-N -1 0 324.352 1.515 50 0 DDAARM Cc1nc(-c2ccccc2)oc1C(=O)NC[C@H](C)c1nnn[n-]1 ZINC000153481743 407835868 /nfs/dbraw/zinc/83/58/68/407835868.db2.gz SLZYUWDKCQHRRD-VIFPVBQESA-N -1 0 312.333 1.697 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000262575603 407870923 /nfs/dbraw/zinc/87/09/23/407870923.db2.gz DKIQMLNCAQDHAB-NXEZZACHSA-N -1 0 308.403 1.791 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1CCOC1 ZINC000238209190 407899234 /nfs/dbraw/zinc/89/92/34/407899234.db2.gz XBCAVSDVJBYWQV-YMTOWFKASA-N -1 0 320.320 1.455 50 0 DDAARM Cn1cc(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000245266195 407950956 /nfs/dbraw/zinc/95/09/56/407950956.db2.gz JCSPFTKWVWFTFV-MCIONIFRSA-N -1 0 305.378 1.597 50 0 DDAARM Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])nn1C ZINC000262843521 407952721 /nfs/dbraw/zinc/95/27/21/407952721.db2.gz CLWAYVHKLCAXNO-LBPRGKRZSA-N -1 0 301.346 1.844 50 0 DDAARM CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000118955127 407963547 /nfs/dbraw/zinc/96/35/47/407963547.db2.gz KLZZRPZLSXTNDN-LLVKDONJSA-N -1 0 310.394 1.251 50 0 DDAARM Cn1nccc1CCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000263258983 408078871 /nfs/dbraw/zinc/07/88/71/408078871.db2.gz LVNFBCYVLBMFIW-INIZCTEOSA-N -1 0 313.357 1.563 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2csc(-c3ncccn3)n2)C1 ZINC000136154413 408081887 /nfs/dbraw/zinc/08/18/87/408081887.db2.gz GLGMRXBXJXFSTP-VIFPVBQESA-N -1 0 318.358 1.537 50 0 DDAARM C[C@]1(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCCOC1 ZINC000263528373 408164747 /nfs/dbraw/zinc/16/47/47/408164747.db2.gz LEYRCHZHUDYLGR-INIZCTEOSA-N -1 0 307.346 1.583 50 0 DDAARM C[C@H](Cc1cccc(F)c1)C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000183451537 408416706 /nfs/dbraw/zinc/41/67/06/408416706.db2.gz UETSCTBLCPHHKM-MNOVXSKESA-N -1 0 305.357 1.780 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 ZINC000192415798 408584980 /nfs/dbraw/zinc/58/49/80/408584980.db2.gz AVSDQTKHRCLZPC-UHFFFAOYSA-N -1 0 300.318 1.204 50 0 DDAARM CO[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000276303554 408831477 /nfs/dbraw/zinc/83/14/77/408831477.db2.gz LYNODXCNAJDWPR-JGVFFNPUSA-N -1 0 321.782 1.740 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1F ZINC000263457798 163969464 /nfs/dbraw/zinc/96/94/64/163969464.db2.gz BDQJEOBWDUKYQP-BDAKNGLRSA-N -1 0 319.329 1.839 50 0 DDAARM Cc1nc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1C#N ZINC000299753246 410605522 /nfs/dbraw/zinc/60/55/22/410605522.db2.gz XKTGLDHMUUAUER-ZDUSSCGKSA-N -1 0 317.345 1.358 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@H]2CCCc3ccccc32)n1 ZINC000647780829 423044629 /nfs/dbraw/zinc/04/46/29/423044629.db2.gz PMMJXPOLZRPWLB-LBPRGKRZSA-N -1 0 300.318 1.421 50 0 DDAARM CC[C@H](C(=O)Nc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1 ZINC000101809729 418494407 /nfs/dbraw/zinc/49/44/07/418494407.db2.gz VGCIRUNFFPAXGR-LBPRGKRZSA-N -1 0 311.345 1.858 50 0 DDAARM CCCS(=O)(=O)[N-]C(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000123188942 418505864 /nfs/dbraw/zinc/50/58/64/418505864.db2.gz CCLZTCQPXSWQPN-UHFFFAOYSA-N -1 0 323.374 1.555 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCCN1CC(=O)NCCc1ccc(F)cc1 ZINC000391300729 418757322 /nfs/dbraw/zinc/75/73/22/418757322.db2.gz UWVGMKJAFQZNCR-KRWDZBQOSA-N -1 0 322.380 1.814 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000493134225 420764641 /nfs/dbraw/zinc/76/46/41/420764641.db2.gz UXLHKQIVQHSLRQ-SDQPKGBYSA-N -1 0 321.329 1.029 50 0 DDAARM COCc1ncc2c(n1)CCN(Cc1cccc(C(=O)[O-])c1)C2 ZINC000634693698 422555961 /nfs/dbraw/zinc/55/59/61/422555961.db2.gz QPUOUVQUMAZTGA-UHFFFAOYSA-N -1 0 313.357 1.880 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(C)CC1 ZINC000000272808 295098946 /nfs/dbraw/zinc/09/89/46/295098946.db2.gz KUNBLSJKJVFUME-UHFFFAOYSA-N -1 0 313.375 1.814 50 0 DDAARM COc1ccc(CCCCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000299753429 295119679 /nfs/dbraw/zinc/11/96/79/295119679.db2.gz YFICZPRIPSSFMY-OAHLLOKOSA-N -1 0 321.373 1.720 50 0 DDAARM COc1cccc(/C=C\C(=O)N[C@@H](C(=O)[O-])C(C)C)c1OC ZINC000096035509 295282242 /nfs/dbraw/zinc/28/22/42/295282242.db2.gz CJLJIHSLAZYFHR-QIAWRQBBSA-N -1 0 307.346 1.942 50 0 DDAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000004670194 297229972 /nfs/dbraw/zinc/22/99/72/297229972.db2.gz BIJPYEGILDRZEE-UTUOFQBUSA-N -1 0 304.412 1.006 50 0 DDAARM O=C([O-])C1(C(=O)N2CC[C@H](c3ccccc3)C2)CCOCC1 ZINC000576519399 308320692 /nfs/dbraw/zinc/32/06/92/308320692.db2.gz KZHONMGHNMXBFL-AWEZNQCLSA-N -1 0 303.358 1.884 50 0 DDAARM O=C([O-])CCc1cn(C[C@H]2CCCN(c3cnccn3)C2)nn1 ZINC000082039336 483980322 /nfs/dbraw/zinc/98/03/22/483980322.db2.gz KKBMIAYSOMSWPJ-LBPRGKRZSA-N -1 0 316.365 1.002 50 0 DDAARM O=C([O-])c1cccc(OCCNC(=O)N2CCSCC2)c1 ZINC000670469158 484847971 /nfs/dbraw/zinc/84/79/71/484847971.db2.gz SXYUFQIGAKCBGI-UHFFFAOYSA-N -1 0 310.375 1.522 50 0 DDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000299747582 533742723 /nfs/dbraw/zinc/74/27/23/533742723.db2.gz DGSYVWGPDPCRMH-BFHYXJOUSA-N -1 0 305.330 1.111 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ncoc1-c1cccs1 ZINC000299750954 534539783 /nfs/dbraw/zinc/53/97/83/534539783.db2.gz OWIXZWJWQTWCTO-MRVPVSSYSA-N -1 0 308.315 1.329 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2ncoc2[C@@H]2CCCO2)n1 ZINC000299751626 534550419 /nfs/dbraw/zinc/55/04/19/534550419.db2.gz RBRUUNIBQOVOQL-QMMMGPOBSA-N -1 0 323.330 1.611 50 0 DDAARM Cc1cc(C)n([C@@H](C)CC(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000263260187 524547396 /nfs/dbraw/zinc/54/73/96/524547396.db2.gz GEOWYMITCNLGIT-STQMWFEESA-N -1 0 309.366 1.153 50 0 DDAARM CCOc1ccccc1/C=C/C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000316792047 528704030 /nfs/dbraw/zinc/70/40/30/528704030.db2.gz REUAQTUDOYKXEN-SBDDDAINSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1cc(=O)n2nc(Cc3nnc(Cc4ccccc4)[nH]3)[n-]c2n1 ZINC000067641905 696362450 /nfs/dbraw/zinc/36/24/50/696362450.db2.gz CETZHZHIIAFGIO-UHFFFAOYSA-N -1 0 321.344 1.438 50 0 DDAARM Nc1ncc(S(=O)(=O)[N-]c2ccccc2OCC2CC2)cn1 ZINC000877871081 706229397 /nfs/dbraw/zinc/22/93/97/706229397.db2.gz KBLIZYFOKNITTK-UHFFFAOYSA-N -1 0 320.374 1.648 50 0 DDAARM CO[C@@](C)(CS(=O)(=O)[N-]N=c1nccc[nH]1)c1ccccc1 ZINC000585119148 771951913 /nfs/dbraw/zinc/95/19/13/771951913.db2.gz TZAODTJVVNINSR-AWEZNQCLSA-N -1 0 322.390 1.285 50 0 DDAARM COC(=O)c1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)on1 ZINC000585128756 771960824 /nfs/dbraw/zinc/96/08/24/771960824.db2.gz MVSUTOCLVDNMER-UHFFFAOYSA-N -1 0 314.323 1.039 50 0 DDAARM CC(C)n1cc([C@@]2(O)CCN(c3ccnc(C(=O)[O-])c3)C2)nn1 ZINC000952876018 775621730 /nfs/dbraw/zinc/62/17/30/775621730.db2.gz CEKPRLLIKRTFRC-OAHLLOKOSA-N -1 0 317.349 1.050 50 0 DDAARM C[C@@H](CN(C)c1nc2c(nc([O-])n(C)c2=O)[nH]1)c1nccs1 ZINC000952883688 775643864 /nfs/dbraw/zinc/64/38/64/775643864.db2.gz WTCFBUVFBPBGEO-ZETCQYMHSA-N -1 0 320.378 1.059 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000328593440 231234016 /nfs/dbraw/zinc/23/40/16/231234016.db2.gz NBHCIKLDHZWNFQ-OFFHKIPUSA-N -1 0 316.357 1.758 50 0 DDAARM CCC[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1nnn[n-]1 ZINC000089949665 185271081 /nfs/dbraw/zinc/27/10/81/185271081.db2.gz OCKQYVAXEVCLHU-SNVBAGLBSA-N -1 0 313.321 1.521 50 0 DDAARM O=C([O-])c1csc(CNC(=O)COCCc2ccccc2)n1 ZINC000095425458 185361650 /nfs/dbraw/zinc/36/16/50/185361650.db2.gz DXNYXJNLQMGFAN-UHFFFAOYSA-N -1 0 320.370 1.717 50 0 DDAARM CCCN(CCC)C(=O)CCCC(=O)NC[C@H](C)C(=O)[O-] ZINC000095425324 185361652 /nfs/dbraw/zinc/36/16/52/185361652.db2.gz MXGPNAFWJWOCOX-LBPRGKRZSA-N -1 0 300.399 1.642 50 0 DDAARM O=C([O-])C1(CNC(=O)c2cn(Cc3ccccc3)nn2)CCC1 ZINC000095425497 185361765 /nfs/dbraw/zinc/36/17/65/185361765.db2.gz DEXVTQBJAIRQSQ-UHFFFAOYSA-N -1 0 314.345 1.311 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000299748221 529872736 /nfs/dbraw/zinc/87/27/36/529872736.db2.gz GMMYXVFOMRIPSE-UHFFFAOYSA-N -1 0 308.309 1.499 50 0 DDAARM CC(C)CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1cc(C2CC2)nn1 ZINC000685942319 539566449 /nfs/dbraw/zinc/56/64/49/539566449.db2.gz MVPQCGXGIWPKLI-BZPMIXESSA-N -1 0 320.393 1.722 50 0 DDAARM CC(C)=CCC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000000519706 352109864 /nfs/dbraw/zinc/10/98/64/352109864.db2.gz AYRGGDSIYYYSRA-IQNXINDISA-N -1 0 305.374 1.988 50 0 biogenic DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)NC2CCCCC2)CC1 ZINC000072425638 191159704 /nfs/dbraw/zinc/15/97/04/191159704.db2.gz MKKFQQOYJOZBSW-UHFFFAOYSA-N -1 0 320.393 1.801 50 0 DDAARM Cc1n[nH]c(CN2CCC(C(=O)[O-])(n3cccn3)CC2)c1Cl ZINC000072470700 191176069 /nfs/dbraw/zinc/17/60/69/191176069.db2.gz MLNUSQAZZRQTBL-UHFFFAOYSA-N -1 0 323.784 1.644 50 0 DDAARM Cn1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c2ccccc21 ZINC000174441299 198335855 /nfs/dbraw/zinc/33/58/55/198335855.db2.gz NSNPWABAFOFUKV-LLVKDONJSA-N -1 0 302.330 1.494 50 0 DDAARM CC(C)c1nc(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c[nH]1 ZINC000075092138 353346520 /nfs/dbraw/zinc/34/65/20/353346520.db2.gz HQXPOKFITDZONZ-UHFFFAOYSA-N -1 0 322.346 1.768 50 0 DDAARM CCn1cc(C(=O)NC[C@H](Cc2ccc(C)cc2)C(=O)[O-])cn1 ZINC000097228538 353917816 /nfs/dbraw/zinc/91/78/16/353917816.db2.gz XINZUUFKVJLZEZ-AWEZNQCLSA-N -1 0 315.373 1.885 50 0 DDAARM CC(=O)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1 ZINC000097941987 353920164 /nfs/dbraw/zinc/92/01/64/353920164.db2.gz RPISIGWBWLYBBQ-UHFFFAOYSA-N -1 0 308.341 1.594 50 0 DDAARM CCC[C@H](NC(=O)Cc1cc(=O)oc2cc(O)ccc12)C(=O)[O-] ZINC000004061940 181068038 /nfs/dbraw/zinc/06/80/38/181068038.db2.gz NYRZXCKYQUEKOL-LBPRGKRZSA-N -1 0 319.313 1.411 50 0 biogenic DDAARM CC(=O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1 ZINC000004179233 181082300 /nfs/dbraw/zinc/08/23/00/181082300.db2.gz AZERMEIHQZCSDJ-RQJABVFESA-N -1 0 301.298 1.482 50 0 DDAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3O)cc2[nH]1 ZINC000004439794 181109893 /nfs/dbraw/zinc/10/98/93/181109893.db2.gz JEWVNPINQNANBC-UHFFFAOYSA-N -1 0 305.315 1.363 50 0 DDAARM CCc1ccccc1C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1 ZINC000585134294 354811036 /nfs/dbraw/zinc/81/10/36/354811036.db2.gz LYWMUPBDZAIEHI-JOCHJYFZSA-N -1 0 323.414 1.687 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000585134152 354811087 /nfs/dbraw/zinc/81/10/87/354811087.db2.gz GAUQNEFUOUZDKY-GMTAPVOTSA-N -1 0 305.334 1.374 50 0 DDAARM O=C([O-])C[S@@](=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005513427 181251940 /nfs/dbraw/zinc/25/19/40/181251940.db2.gz UKMWXNNSISWSGN-HXUWFJFHSA-N -1 0 309.265 1.477 50 0 DDAARM O=C([O-])CSC(=S)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000000486214 304071836 /nfs/dbraw/zinc/07/18/36/304071836.db2.gz DFHGBKJKGOWVKZ-VHSXEESVSA-N -1 0 324.427 1.370 50 0 biogenic DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000237357089 202243453 /nfs/dbraw/zinc/24/34/53/202243453.db2.gz WICOKUICFXVURQ-VLAQHCFXSA-N -1 0 305.330 1.728 50 0 DDAARM C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000237604059 202301241 /nfs/dbraw/zinc/30/12/41/202301241.db2.gz WHRTVRMIOIUNPQ-VHSXEESVSA-N -1 0 324.764 1.530 50 0 DDAARM Cc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1-n1cncn1 ZINC000237707396 202333054 /nfs/dbraw/zinc/33/30/54/202333054.db2.gz YBRNHRCOAYZQSJ-MRXNPFEDSA-N -1 0 314.345 1.513 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000237721761 202337595 /nfs/dbraw/zinc/33/75/95/202337595.db2.gz UBSQZTKZZCNWSG-UHFFFAOYSA-N -1 0 321.308 1.892 50 0 DDAARM C[C@@](NC(=O)c1c(Cl)nc2ccccn21)(C(=O)[O-])C1CC1 ZINC000237725532 202339457 /nfs/dbraw/zinc/33/94/57/202339457.db2.gz IBAQDSXLHQMNTD-AWEZNQCLSA-N -1 0 307.737 1.971 50 0 DDAARM Cc1cccc2[nH]c(CCC(=O)N3CCC[C@H]3C(=O)[O-])nc21 ZINC000237734880 202342818 /nfs/dbraw/zinc/34/28/18/202342818.db2.gz VSQPZDGUBNHJQA-LBPRGKRZSA-N -1 0 301.346 1.880 50 0 DDAARM C[C@]1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCc2ccccc21 ZINC000237786524 202353947 /nfs/dbraw/zinc/35/39/47/202353947.db2.gz DJVHNFNJASCDMW-KSSFIOAISA-N -1 0 317.385 1.983 50 0 DDAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCc1ccccn1 ZINC000006494031 181345519 /nfs/dbraw/zinc/34/55/19/181345519.db2.gz FLHKLNUPPZMWAG-UHFFFAOYSA-N -1 0 309.325 1.488 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccnn1CCc1ccccc1 ZINC000621534789 364900969 /nfs/dbraw/zinc/90/09/69/364900969.db2.gz OCUSSBDTSXBXSD-GFCCVEGCSA-N -1 0 301.346 1.671 50 0 DDAARM COc1ccc(C2(CNC(=O)CCC(=O)[O-])CCOCC2)cc1 ZINC000006720834 181376980 /nfs/dbraw/zinc/37/69/80/181376980.db2.gz LXLFDBYVSUJNHV-UHFFFAOYSA-N -1 0 321.373 1.724 50 0 DDAARM CCCn1c2sc3c(c2c(=O)n(CC(=O)[O-])c1=O)CCCC3 ZINC000006759806 181384399 /nfs/dbraw/zinc/38/43/99/181384399.db2.gz DZUPYIDIOHGAGG-UHFFFAOYSA-N -1 0 322.386 1.598 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1C1CC1 ZINC000091663535 193087143 /nfs/dbraw/zinc/08/71/43/193087143.db2.gz HLRRAXWVLQCZIZ-QWHCGFSZSA-N -1 0 317.341 1.641 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2cn3ccsc3n2)C[C@H]1C(=O)[O-] ZINC000091665067 193088388 /nfs/dbraw/zinc/08/83/88/193088388.db2.gz YACIBYWOEZHVCR-NXEZZACHSA-N -1 0 307.375 1.969 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC[C@H]1CCCO1 ZINC000261607434 203078979 /nfs/dbraw/zinc/07/89/79/203078979.db2.gz DGZIPJUZANIUFU-CABCVRRESA-N -1 0 303.358 1.984 50 0 DDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)Cc1ccc3c(c1)CCO3)CC2 ZINC000262304180 203255296 /nfs/dbraw/zinc/25/52/96/203255296.db2.gz RCBNNOOQYXVJJT-AWEZNQCLSA-N -1 0 315.369 1.877 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000262632588 203358726 /nfs/dbraw/zinc/35/87/26/203358726.db2.gz OQNSRWAMQIQYFI-UONOGXRCSA-N -1 0 316.357 1.146 50 0 DDAARM Cc1nc(C(=O)N(C)CCC2CCOCC2)ccc1C(=O)[O-] ZINC000263531713 203477470 /nfs/dbraw/zinc/47/74/70/203477470.db2.gz MRUQZMVTRRXDFR-UHFFFAOYSA-N -1 0 306.362 1.977 50 0 DDAARM O=C([O-])CCC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000020533909 182227873 /nfs/dbraw/zinc/22/78/73/182227873.db2.gz AOJCGOHMSZMZQG-UHFFFAOYSA-N -1 0 319.386 1.810 50 0 DDAARM O=C([O-])CNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000020722384 182243445 /nfs/dbraw/zinc/24/34/45/182243445.db2.gz CWLHYPMSORHOPU-UHFFFAOYSA-N -1 0 311.135 1.605 50 0 DDAARM O=C([O-])CCCC(=O)N1CCC(c2nnc3ccccn32)CC1 ZINC000036047694 182793785 /nfs/dbraw/zinc/79/37/85/182793785.db2.gz XHBDYEGFRZRQHH-UHFFFAOYSA-N -1 0 316.361 1.690 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(Cl)c1Cl ZINC000088375688 304200421 /nfs/dbraw/zinc/20/04/21/304200421.db2.gz XOBVJUVIJBVRSJ-SECBINFHSA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccccc1Br ZINC000088374959 304200659 /nfs/dbraw/zinc/20/06/59/304200659.db2.gz LJXGTOQKQGLJIC-SNVBAGLBSA-N -1 0 314.135 1.375 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1 ZINC000043700471 183381635 /nfs/dbraw/zinc/38/16/35/183381635.db2.gz SUWSYVBCCCQZPB-SNVBAGLBSA-N -1 0 303.236 1.631 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 ZINC000043700861 183382077 /nfs/dbraw/zinc/38/20/77/183382077.db2.gz OKQLTCIWHLSHGF-NSHDSACASA-N -1 0 301.701 1.334 50 0 DDAARM COCC[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)[O-] ZINC000052784892 183872579 /nfs/dbraw/zinc/87/25/79/183872579.db2.gz GNZDETSNUWUXAM-CMPLNLGQSA-N -1 0 313.737 1.249 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000268944275 207110586 /nfs/dbraw/zinc/11/05/86/207110586.db2.gz LSKLOYGKNWRJPO-QLFBSQMISA-N -1 0 303.358 1.772 50 0 DDAARM COc1cc(C(=O)N(CC(=O)[O-])C2CC2)cc2c1OCCO2 ZINC000268952452 207116133 /nfs/dbraw/zinc/11/61/33/207116133.db2.gz RXLNANREGWXYME-UHFFFAOYSA-N -1 0 307.302 1.156 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000269038084 207186328 /nfs/dbraw/zinc/18/63/28/207186328.db2.gz PLEYBYRFFLXDBP-YVEFUNNKSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 ZINC000269049760 207198663 /nfs/dbraw/zinc/19/86/63/207198663.db2.gz VCGLKPJCUFMJOG-HIFRSBDPSA-N -1 0 319.357 1.393 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CCO1 ZINC000269043929 207193571 /nfs/dbraw/zinc/19/35/71/207193571.db2.gz SBUYPVWRIAPCOA-XJKSGUPXSA-N -1 0 317.385 1.884 50 0 DDAARM Cn1cc(Br)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062117614 184206316 /nfs/dbraw/zinc/20/63/16/184206316.db2.gz ZODSIXZGUUTLBA-SSDOTTSWSA-N -1 0 301.140 1.334 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000269079784 207225866 /nfs/dbraw/zinc/22/58/66/207225866.db2.gz FEITXMFYJMWRDY-FRRDWIJNSA-N -1 0 317.341 1.637 50 0 DDAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062913581 184259368 /nfs/dbraw/zinc/25/93/68/184259368.db2.gz ZQSXVAQOMJBAKD-ISZGNANSSA-N -1 0 311.769 1.718 50 0 DDAARM Cc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2cnn(C)c2)s1 ZINC000069491988 184519918 /nfs/dbraw/zinc/51/99/18/184519918.db2.gz KKHHGCBMQCPBQH-SMDDNHRTSA-N -1 0 319.386 1.964 50 0 DDAARM CN(C(=O)C1(C(=O)[O-])CC1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000154899149 197003210 /nfs/dbraw/zinc/00/32/10/197003210.db2.gz OBMQXCBOHPTHFN-CYBMUJFWSA-N -1 0 316.357 1.505 50 0 DDAARM Cn1c(CCNC(=O)C2(C(=O)[O-])CC2)nc2cc(F)ccc21 ZINC000154873556 197000475 /nfs/dbraw/zinc/00/04/75/197000475.db2.gz LZJDPXGHAWVQSU-UHFFFAOYSA-N -1 0 305.309 1.236 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000268982702 257237473 /nfs/dbraw/zinc/23/74/73/257237473.db2.gz OCUGDBWKFZCIRC-OAHLLOKOSA-N -1 0 316.357 1.803 50 0 DDAARM CCc1ncc(C(=O)N(CCC(=O)[O-])C2CCOCC2)s1 ZINC000237065178 257239170 /nfs/dbraw/zinc/23/91/70/257239170.db2.gz JTUWPXNGGLKTNF-UHFFFAOYSA-N -1 0 312.391 1.801 50 0 DDAARM O=C([O-])c1nn2cc(Br)cnc2c1Br ZINC000000369395 304285105 /nfs/dbraw/zinc/28/51/05/304285105.db2.gz ZDSYBMKDYXNUMZ-UHFFFAOYSA-N -1 0 320.928 1.953 50 0 DDAARM COc1cc2c(cc1OC)[C@@H]([N-]C(=O)C(F)(F)F)C[C@@H]2O ZINC000001394840 286259843 /nfs/dbraw/zinc/25/98/43/286259843.db2.gz JISVZQDTSKRCPM-IUCAKERBSA-N -1 0 305.252 1.861 50 0 DDAARM CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@H]1CC(=O)[O-] ZINC000000135766 406624437 /nfs/dbraw/zinc/62/44/37/406624437.db2.gz MSAGTKRTMYZZFX-CYBMUJFWSA-N -1 0 317.341 1.957 50 0 DDAARM O=C([N-]n1c(=O)[nH]c2ccccc2c1=O)c1ccccc1Cl ZINC000000467582 406650984 /nfs/dbraw/zinc/65/09/84/406650984.db2.gz FKQGWXOIJGHISW-UHFFFAOYSA-N -1 0 315.716 1.727 50 0 DDAARM C[C@@H]1CCc2c(sc(NC(=O)/C=C/C(=O)[O-])c2C(N)=O)C1 ZINC000002086436 406681146 /nfs/dbraw/zinc/68/11/46/406681146.db2.gz KXNCBDSJOMTCSV-SMMXGFFBSA-N -1 0 308.359 1.551 50 0 DDAARM O=C([O-])CCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000002809742 406701584 /nfs/dbraw/zinc/70/15/84/406701584.db2.gz CKYJBPPKLFBHSJ-UHFFFAOYSA-N -1 0 310.781 1.849 50 0 DDAARM O=C([O-])CCNS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000008715467 406793878 /nfs/dbraw/zinc/79/38/78/406793878.db2.gz KGZORVRMGKNXIE-UHFFFAOYSA-N -1 0 320.326 1.159 50 0 DDAARM COc1cccc(CNC(=O)c2nccnc2C(=O)[O-])c1OC ZINC000071283323 406836025 /nfs/dbraw/zinc/83/60/25/406836025.db2.gz PDEKDSKSTVEECC-UHFFFAOYSA-N -1 0 317.301 1.122 50 0 DDAARM CONC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000012521367 406846823 /nfs/dbraw/zinc/84/68/23/406846823.db2.gz JVVGVQNMAFNQFM-UHFFFAOYSA-N -1 0 312.372 1.840 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000013249187 406859362 /nfs/dbraw/zinc/85/93/62/406859362.db2.gz MECMQLWVVHXMPU-STQMWFEESA-N -1 0 302.330 1.652 50 0 DDAARM CC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013263065 406861698 /nfs/dbraw/zinc/86/16/98/406861698.db2.gz FQLCHGSRMXCJCN-GFCCVEGCSA-N -1 0 311.359 1.375 50 0 DDAARM Cn1cc([C@H]2[C@H](C(=O)[O-])CC(=O)N2CCc2cccnc2)cn1 ZINC000072275736 406877257 /nfs/dbraw/zinc/87/72/57/406877257.db2.gz UTJJSEVFJARAEC-HIFRSBDPSA-N -1 0 314.345 1.032 50 0 DDAARM CS(=O)(=O)c1ccc(Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000026423421 406904211 /nfs/dbraw/zinc/90/42/11/406904211.db2.gz JBEUOFCVPXTAPZ-UHFFFAOYSA-N -1 0 312.372 1.917 50 0 DDAARM COCCn1c(C)c2c(cc1=O)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012391722 406843939 /nfs/dbraw/zinc/84/39/39/406843939.db2.gz YNDVHSIOFLHTDR-UHFFFAOYSA-N -1 0 317.320 1.574 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cc1 ZINC000028577142 406918062 /nfs/dbraw/zinc/91/80/62/406918062.db2.gz KMLXWBCKZFXWGL-UHFFFAOYSA-N -1 0 308.363 1.488 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C ZINC000030522265 406932730 /nfs/dbraw/zinc/93/27/30/406932730.db2.gz GRZNZKHSDGATLX-QWHCGFSZSA-N -1 0 316.357 1.960 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000037436297 406989530 /nfs/dbraw/zinc/98/95/30/406989530.db2.gz SMCHLATVDOUCBF-RNCFNFMXSA-N -1 0 309.749 1.967 50 0 DDAARM CN1CC[C@@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)C1=O ZINC000080029629 407069750 /nfs/dbraw/zinc/06/97/50/407069750.db2.gz LXEDWMPHMAUHEP-MRVPVSSYSA-N -1 0 303.145 1.660 50 0 DDAARM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)CCn2cccn2)c1 ZINC000089585510 407140619 /nfs/dbraw/zinc/14/06/19/407140619.db2.gz NHVZFLVBDUTZMZ-UHFFFAOYSA-N -1 0 311.338 1.226 50 0 DDAARM COCC[C@H](NC(=O)c1cc2c(c(Cl)c1)OCO2)C(=O)[O-] ZINC000052784844 407157380 /nfs/dbraw/zinc/15/73/80/407157380.db2.gz GXSBEJGIXJPYBY-VIFPVBQESA-N -1 0 315.709 1.288 50 0 DDAARM CC(C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000096297156 407258606 /nfs/dbraw/zinc/25/86/06/407258606.db2.gz RZVXNXLTZWCNAR-XQRVVYSFSA-N -1 0 311.359 1.531 50 0 DDAARM CN(C)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c(F)c1 ZINC000095976998 407219433 /nfs/dbraw/zinc/21/94/33/407219433.db2.gz JJVRRPQXMRSAPZ-JTQLQIEISA-N -1 0 318.356 1.425 50 0 DDAARM CC[C@@](C)(CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000097237952 407289327 /nfs/dbraw/zinc/28/93/27/407289327.db2.gz MDQGBNDOYYJQDJ-HNNXBMFYSA-N -1 0 307.325 1.608 50 0 DDAARM O=C([O-])CN1N=C(c2nc(-c3cccc(F)c3)no2)CCC1=O ZINC000098212097 407307002 /nfs/dbraw/zinc/30/70/02/407307002.db2.gz GGNHDBVQPFPMPX-UHFFFAOYSA-N -1 0 318.264 1.287 50 0 DDAARM Cc1cc(=O)n2nc(C(=O)Nc3cccc(Cl)c3)[n-]c2n1 ZINC000101582259 407312744 /nfs/dbraw/zinc/31/27/44/407312744.db2.gz PPQDUBYQVMIHBF-UHFFFAOYSA-N -1 0 303.709 1.632 50 0 DDAARM C[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000124752601 407368680 /nfs/dbraw/zinc/36/86/80/407368680.db2.gz JOKYFJOUWGBEDF-BXUZGUMPSA-N -1 0 309.337 1.706 50 0 DDAARM O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000257190344 407487371 /nfs/dbraw/zinc/48/73/71/407487371.db2.gz OOSRDDKLKKAPBW-LBPRGKRZSA-N -1 0 308.345 1.768 50 0 DDAARM CC(C)N1C[C@H](C(=O)NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000170534499 407442942 /nfs/dbraw/zinc/44/29/42/407442942.db2.gz IPBIUXHRMJDXGQ-CYBMUJFWSA-N -1 0 304.346 1.258 50 0 DDAARM CCCCCC(=O)[N-]S(=O)(=O)[C@H](CCC)C(=O)OCC ZINC000253425598 407444624 /nfs/dbraw/zinc/44/46/24/407444624.db2.gz VESBFTBWIHKIRW-LLVKDONJSA-N -1 0 307.412 1.745 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccon1)C1=Cc2ccccc2OC1 ZINC000170649832 407462444 /nfs/dbraw/zinc/46/24/44/407462444.db2.gz VPZYDHLSAWNPLF-UHFFFAOYSA-N -1 0 320.326 1.097 50 0 DDAARM Cc1ccc(C2(C(=O)N3CCOC[C@@H]3CC(=O)[O-])CC2)cc1 ZINC000219217926 407529188 /nfs/dbraw/zinc/52/91/88/407529188.db2.gz JYLUOIQNKMCPCL-AWEZNQCLSA-N -1 0 303.358 1.729 50 0 DDAARM CC(C)N1C[C@@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000236834261 407775954 /nfs/dbraw/zinc/77/59/54/407775954.db2.gz WCVDJFJJGXDJQK-AWEZNQCLSA-N -1 0 318.373 1.300 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000262380066 407816808 /nfs/dbraw/zinc/81/68/08/407816808.db2.gz IFADTAMQAYJSPC-UPJWGTAASA-N -1 0 302.330 1.019 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000238067436 407882173 /nfs/dbraw/zinc/88/21/73/407882173.db2.gz BWAJGFOSDGGQES-SNVBAGLBSA-N -1 0 305.290 1.338 50 0 DDAARM O=C([O-])CN(C(=O)Cc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000238075729 407883533 /nfs/dbraw/zinc/88/35/33/407883533.db2.gz PDJNJPLRARGMSO-UHFFFAOYSA-N -1 0 316.357 1.432 50 0 DDAARM C[C@@H](CN(C)S(=O)(=O)c1ccc2c(c1)CCC2)c1nnn[n-]1 ZINC000134048607 407885693 /nfs/dbraw/zinc/88/56/93/407885693.db2.gz OXGOOOBZKIVMLQ-JTQLQIEISA-N -1 0 321.406 1.113 50 0 DDAARM O=C([O-])C[C@@H]1CSCCN1C(=O)Cn1ncc2ccccc21 ZINC000238188971 407896782 /nfs/dbraw/zinc/89/67/82/407896782.db2.gz XQLGMVZQIRSOPV-GFCCVEGCSA-N -1 0 319.386 1.455 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cn2C)C1 ZINC000262821674 407948473 /nfs/dbraw/zinc/94/84/73/407948473.db2.gz FBYFGWOXJHLYFR-CQSZACIVSA-N -1 0 314.769 1.632 50 0 DDAARM CS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])s1 ZINC000263175821 408048163 /nfs/dbraw/zinc/04/81/63/408048163.db2.gz JUFWNIMXJBQCMD-QMMMGPOBSA-N -1 0 317.388 1.135 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000136128829 408079126 /nfs/dbraw/zinc/07/91/26/408079126.db2.gz FMMPHDSGFPLPPQ-JTQLQIEISA-N -1 0 320.374 1.325 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)c2)no1 ZINC000136162402 408083519 /nfs/dbraw/zinc/08/35/19/408083519.db2.gz OXJGNEFGLICXJE-CYBMUJFWSA-N -1 0 315.329 1.982 50 0 DDAARM O=C([O-])C1(C(=O)N2CCCN(C(=O)c3ccsc3)CC2)CC1 ZINC000154812887 408088004 /nfs/dbraw/zinc/08/80/04/408088004.db2.gz BTGIGMXOMHCCFO-UHFFFAOYSA-N -1 0 322.386 1.287 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)C1 ZINC000269131150 408228810 /nfs/dbraw/zinc/22/88/10/408228810.db2.gz BNASJCJHIJCUAB-LBPRGKRZSA-N -1 0 317.345 1.153 50 0 DDAARM CC[C@H](C(=O)[O-])N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000191421249 408423267 /nfs/dbraw/zinc/42/32/67/408423267.db2.gz SANDXEDMBGTFCI-CYBMUJFWSA-N -1 0 310.781 1.847 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2oc(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193050156 408687437 /nfs/dbraw/zinc/68/74/37/408687437.db2.gz LGZZHPLIUBPJNQ-ZUZCIYMTSA-N -1 0 310.350 1.680 50 0 DDAARM O=C(Cc1cc(F)c(F)cc1F)[N-]S(=O)(=O)C1CCC1 ZINC000252482430 408796854 /nfs/dbraw/zinc/79/68/54/408796854.db2.gz DFELDWCRHHYQAJ-UHFFFAOYSA-N -1 0 307.293 1.645 50 0 DDAARM CCC[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1C)C(=O)[O-] ZINC000263096145 163914281 /nfs/dbraw/zinc/91/42/81/163914281.db2.gz FBAIZMFOXYHKDS-LBPRGKRZSA-N -1 0 316.361 1.806 50 0 DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000315026669 409835978 /nfs/dbraw/zinc/83/59/78/409835978.db2.gz WICOKUICFXVURQ-ASUKLHCRSA-N -1 0 305.330 1.728 50 0 DDAARM COc1cc(Cl)ccc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000129405998 196045479 /nfs/dbraw/zinc/04/54/79/196045479.db2.gz KYNNHIPJDDYTKV-SNVBAGLBSA-N -1 0 313.737 1.664 50 0 DDAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000069675132 418488222 /nfs/dbraw/zinc/48/82/22/418488222.db2.gz WLLOULRKKLJGNE-UHFFFAOYSA-N -1 0 319.386 2.539 50 0 DDAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000078554381 418492125 /nfs/dbraw/zinc/49/21/25/418492125.db2.gz IYNSVEOAWABJPN-UHFFFAOYSA-N -1 0 319.386 2.539 50 0 DDAARM NC(=O)[C@H]1CCC[C@H](n2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000120712877 418503583 /nfs/dbraw/zinc/50/35/83/418503583.db2.gz HZWYMKWXQULWIA-UWVGGRQHSA-N -1 0 303.387 1.902 50 0 DDAARM Cc1oc(CN(C)C(=O)[C@@H]2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000120732581 418503741 /nfs/dbraw/zinc/50/37/41/418503741.db2.gz HCHIXYCGOBMBHZ-SNVBAGLBSA-N -1 0 308.334 1.113 50 0 DDAARM Cc1cnn(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c1 ZINC000426475351 419481107 /nfs/dbraw/zinc/48/11/07/419481107.db2.gz DHLUXSHAHKJSMF-CQSZACIVSA-N -1 0 303.318 1.229 50 0 DDAARM Cc1nc2ccc(Cl)cn2c1C(=O)N1CC=C[C@@H]1C(=O)[O-] ZINC000426581354 419510801 /nfs/dbraw/zinc/51/08/01/419510801.db2.gz WXEQTGANSAPBJI-SNVBAGLBSA-N -1 0 305.721 1.761 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1 ZINC000299750372 229393991 /nfs/dbraw/zinc/39/39/91/229393991.db2.gz NGYGCROSNWFYMM-XQQFMLRXSA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])c1cnc(C(=O)N2CCN(C3CC3)c3ccccc32)cn1 ZINC000581532029 421994928 /nfs/dbraw/zinc/99/49/28/421994928.db2.gz HQCGRIPUIBQRIQ-UHFFFAOYSA-N -1 0 324.340 1.804 50 0 DDAARM CC(C)[C@@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000606441739 422459896 /nfs/dbraw/zinc/45/98/96/422459896.db2.gz DTZYNQZYJBAZDY-GTBONMDNSA-N -1 0 316.357 1.381 50 0 DDAARM CC(C)(C)[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H]1O ZINC000263419929 278507426 /nfs/dbraw/zinc/50/74/26/278507426.db2.gz KXFAITKJMNYZPR-SKDRFNHKSA-N -1 0 307.350 1.044 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000271911133 297882582 /nfs/dbraw/zinc/88/25/82/297882582.db2.gz QORMPOBQPBBQFU-MRXNPFEDSA-N -1 0 305.330 1.785 50 0 DDAARM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000262830447 301153787 /nfs/dbraw/zinc/15/37/87/301153787.db2.gz BNUFPPGEHMDDBP-WMLDXEAASA-N -1 0 319.357 1.761 50 0 DDAARM C[C@@H](CN(C)C(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299747799 533713362 /nfs/dbraw/zinc/71/33/62/533713362.db2.gz FCJQLEKBDJUIIP-JOYOIKCWSA-N -1 0 322.386 1.669 50 0 DDAARM Cn1c(CNC(=O)c2ccc(F)cc2[O-])nnc1C1CCC1 ZINC000129145474 337383120 /nfs/dbraw/zinc/38/31/20/337383120.db2.gz FUJAAPVCFOEICE-UHFFFAOYSA-N -1 0 304.325 1.857 50 0 DDAARM O=C([O-])CC1(NC(=O)c2cc(F)c(F)cc2F)CCOCC1 ZINC000663122282 484686273 /nfs/dbraw/zinc/68/62/73/484686273.db2.gz DXOSLNAARZFDGD-UHFFFAOYSA-N -1 0 317.263 1.858 50 0 DDAARM CC(=O)Nc1cccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000424222557 527040491 /nfs/dbraw/zinc/04/04/91/527040491.db2.gz FHBCGOBFQFFQMZ-CQSZACIVSA-N -1 0 304.346 1.653 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc2ncccc2c1 ZINC000220151590 563843509 /nfs/dbraw/zinc/84/35/09/563843509.db2.gz JBWRDAHZJMHSTD-CYBMUJFWSA-N -1 0 300.314 1.551 50 0 DDAARM O=C([O-])C[C@H]1Oc2ccccc2N(CCn2cccc2)C1=O ZINC000063846575 696331362 /nfs/dbraw/zinc/33/13/62/696331362.db2.gz LGXFEGVJRCBQAC-CQSZACIVSA-N -1 0 300.314 1.757 50 0 DDAARM CCCCN(Cc1sccc1C)C(=O)Cn1[n-]nnc1=N ZINC000952990907 721533609 /nfs/dbraw/zinc/53/36/09/721533609.db2.gz MUGXXASNWJOXTJ-UHFFFAOYSA-N -1 0 308.411 1.284 50 0 DDAARM COC(=O)c1ccc(CS(=O)(=O)[N-]c2noc(C)n2)cc1 ZINC000278547143 214228354 /nfs/dbraw/zinc/22/83/54/214228354.db2.gz YOFIUKFDYXOJPG-UHFFFAOYSA-N -1 0 311.319 1.107 50 0 DDAARM COc1cc[nH]c(=NNC(=O)[C@H]2Cc3ccccc3S2)n1 ZINC000073545993 539033399 /nfs/dbraw/zinc/03/33/99/539033399.db2.gz CSVSQMFLOJHCBZ-LLVKDONJSA-N -1 0 302.359 1.645 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328591119 231233749 /nfs/dbraw/zinc/23/37/49/231233749.db2.gz RRBGEHBXIMMUJP-FVOPLDGLSA-N -1 0 303.314 1.547 50 0 DDAARM O=C([O-])C[C@H]1CN(S(=O)(=O)c2cn[nH]c2)c2ccccc21 ZINC000088452311 185251354 /nfs/dbraw/zinc/25/13/54/185251354.db2.gz PEEOXFCZZSKYPC-VIFPVBQESA-N -1 0 307.331 1.177 50 0 DDAARM COc1ccc(CCCC(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])cc1 ZINC000262208121 539275580 /nfs/dbraw/zinc/27/55/80/539275580.db2.gz XKMQIPOOJOJYJK-GJZGRUSLSA-N -1 0 321.373 1.718 50 0 DDAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)C[C@H](O)c1cccc(F)c1 ZINC000263368090 539276102 /nfs/dbraw/zinc/27/61/02/539276102.db2.gz UKRIACPVTLBRGY-HONMWMINSA-N -1 0 309.337 1.961 50 0 DDAARM Cc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1-n1cccn1 ZINC000263260960 539276121 /nfs/dbraw/zinc/27/61/21/539276121.db2.gz UTZRKEVKLRZYFF-INIZCTEOSA-N -1 0 317.320 1.820 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)[C@@H](C)OCc1cccc(OC)c1 ZINC000095424620 185361391 /nfs/dbraw/zinc/36/13/91/185361391.db2.gz KDVJMRFZRDNIFQ-GFCCVEGCSA-N -1 0 309.362 1.924 50 0 DDAARM CCc1nnsc1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000095425298 185361748 /nfs/dbraw/zinc/36/17/48/185361748.db2.gz UPYBBAMAUSPYNR-NSHDSACASA-N -1 0 319.386 1.774 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000299751890 529879966 /nfs/dbraw/zinc/87/99/66/529879966.db2.gz SFLQOUHEUPOKAT-UHFFFAOYSA-N -1 0 305.334 1.153 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC000155901499 186121911 /nfs/dbraw/zinc/12/19/11/186121911.db2.gz RTNWHNYOSZWPKK-RISCZKNCSA-N -1 0 324.352 1.131 50 0 DDAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000072411666 191154051 /nfs/dbraw/zinc/15/40/51/191154051.db2.gz BAGDLGIZJNYMHU-CQSZACIVSA-N -1 0 317.389 1.950 50 0 DDAARM Cc1nccn1C1(C(=O)[O-])CCN(c2nccnc2C)CC1 ZINC000072438154 191165426 /nfs/dbraw/zinc/16/54/26/191165426.db2.gz JLXFAESSRRLPJL-UHFFFAOYSA-N -1 0 301.350 1.370 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)CCc2ccco2)CC1 ZINC000072459189 191172328 /nfs/dbraw/zinc/17/23/28/191172328.db2.gz HRHUTSOTVMEEBF-UHFFFAOYSA-N -1 0 317.345 1.511 50 0 DDAARM COc1ccccc1S(=O)(=O)N[C@H](CCSC)C(=O)[O-] ZINC000003325313 181005249 /nfs/dbraw/zinc/00/52/49/181005249.db2.gz KMBCKRLSVPWYRV-SECBINFHSA-N -1 0 319.404 1.180 50 0 DDAARM CCOC(=O)C1=NN=C2C(=O)N(c3ccc(C)cc3C)C([O-])=C12 ZINC000004565199 181125105 /nfs/dbraw/zinc/12/51/05/181125105.db2.gz KOXQRMOKPGIDGY-NSHDSACASA-N -1 0 313.313 1.167 50 0 DDAARM CC[C@@H](C(=O)[O-])C(=O)N1CCC(CN2CCCCC2=O)CC1 ZINC000585134329 354811153 /nfs/dbraw/zinc/81/11/53/354811153.db2.gz NNEZLTHQXQNOEW-CYBMUJFWSA-N -1 0 310.394 1.348 50 0 DDAARM CC(C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000005450730 181244889 /nfs/dbraw/zinc/24/48/89/181244889.db2.gz HENJGQNAQVUNIK-LBPRGKRZSA-N -1 0 302.334 1.675 50 0 DDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000408513228 304052420 /nfs/dbraw/zinc/05/24/20/304052420.db2.gz BSKGDFDNOQVRCN-DZGCQCFKSA-N -1 0 319.357 1.472 50 0 DDAARM Cc1ccc(CN2C[C@@H](C(=O)NC[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC000237579618 202290041 /nfs/dbraw/zinc/29/00/41/202290041.db2.gz JHRUAXWPPCZOPE-JSGCOSHPSA-N -1 0 318.373 1.180 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)[O-])cs2)cn1 ZINC000237715632 202337343 /nfs/dbraw/zinc/33/73/43/202337343.db2.gz DYAOJWFMWFFKRQ-SNVBAGLBSA-N -1 0 306.347 1.233 50 0 DDAARM NC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000237718714 202338659 /nfs/dbraw/zinc/33/86/59/202338659.db2.gz HDGZOWHVJYPAFX-LJLILKBBSA-N -1 0 302.330 1.122 50 0 DDAARM CCC[C@@H](CNC(=O)Cc1cccc(NC(C)=O)c1)C(=O)[O-] ZINC000425253069 283520289 /nfs/dbraw/zinc/52/02/89/283520289.db2.gz JNIQVZQYLLLWCH-ZDUSSCGKSA-N -1 0 306.362 1.805 50 0 DDAARM CC1(C)OCC[C@H]1CNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000621539557 364904514 /nfs/dbraw/zinc/90/45/14/364904514.db2.gz QOYUANCBMJBITN-LBPRGKRZSA-N -1 0 307.346 1.695 50 0 DDAARM CCN(CCNC(=O)c1[nH]cnc1C(=O)[O-])c1cccc(C)c1 ZINC000216451817 201494454 /nfs/dbraw/zinc/49/44/54/201494454.db2.gz WZRPPBRHOZVGBP-UHFFFAOYSA-N -1 0 316.361 1.673 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccccc1Br ZINC000088374960 304135962 /nfs/dbraw/zinc/13/59/62/304135962.db2.gz LJXGTOQKQGLJIC-JTQLQIEISA-N -1 0 314.135 1.375 50 0 DDAARM COCCOc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262585588 203338963 /nfs/dbraw/zinc/33/89/63/203338963.db2.gz SIIKAZYMAKDJKY-CQSZACIVSA-N -1 0 307.346 1.791 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000262589408 203341613 /nfs/dbraw/zinc/34/16/13/203341613.db2.gz HKMQSJXTTNUVAS-GHMZBOCLSA-N -1 0 317.263 1.965 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC12CCOCC2 ZINC000299745847 304152321 /nfs/dbraw/zinc/15/23/21/304152321.db2.gz SUXUZMKOVVAOAJ-GJZGRUSLSA-N -1 0 315.369 1.841 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000003886981 304153524 /nfs/dbraw/zinc/15/35/24/304153524.db2.gz YBNFARCMGBPBOI-HNNXBMFYSA-N -1 0 317.366 1.887 50 0 DDAARM Cc1nccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)n1 ZINC000095944126 193453465 /nfs/dbraw/zinc/45/34/65/193453465.db2.gz VIXACDVYDXVRST-SECBINFHSA-N -1 0 305.359 1.909 50 0 DDAARM CCCCN1C(=O)N[C@]([N-]c2ncccn2)(C(F)(F)F)C1=O ZINC000096231768 193593651 /nfs/dbraw/zinc/59/36/51/193593651.db2.gz AQQWHLFTCNUXIW-NSHDSACASA-N -1 0 317.271 1.499 50 0 DDAARM Cc1n[n-]c(SCC(=O)NCc2ccc(Cl)cc2)nc1=O ZINC000096300952 193611845 /nfs/dbraw/zinc/61/18/45/193611845.db2.gz DKAMYPNBJMOOQM-UHFFFAOYSA-N -1 0 324.793 1.535 50 0 DDAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]C1CCCC1 ZINC000016249199 182038363 /nfs/dbraw/zinc/03/83/63/182038363.db2.gz SAPCVVKTICWPIU-UHFFFAOYSA-N -1 0 313.404 1.285 50 0 DDAARM C[C@@H](O)C[C@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000137174683 296196636 /nfs/dbraw/zinc/19/66/36/296196636.db2.gz VTENMINGPFOBGH-KOLCDFICSA-N -1 0 322.386 1.728 50 0 DDAARM Cc1cccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)c1C ZINC000017031184 182069470 /nfs/dbraw/zinc/06/94/70/182069470.db2.gz OQYGKOOMQQWUBB-UHFFFAOYSA-N -1 0 305.359 1.823 50 0 DDAARM CCn1c(=O)c2ccc(C(=O)NCCOC)cc2[n-]c1=S ZINC000017321655 182083610 /nfs/dbraw/zinc/08/36/10/182083610.db2.gz VQHSXCSPSBNHOR-UHFFFAOYSA-N -1 0 307.375 1.081 50 0 DDAARM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000021808970 182291984 /nfs/dbraw/zinc/29/19/84/182291984.db2.gz JDLCGBGRRYRBBS-SECBINFHSA-N -1 0 306.343 1.853 50 0 DDAARM CCn1cc([N-]S(=O)(=O)c2cccc3nsnc32)cn1 ZINC000024577361 182384047 /nfs/dbraw/zinc/38/40/47/182384047.db2.gz XUGYCUSXCIIUQI-UHFFFAOYSA-N -1 0 309.376 1.709 50 0 DDAARM CCCCN(CC)c1ncc(NS(C)(=O)=O)cc1C(=O)[O-] ZINC000035397487 182773984 /nfs/dbraw/zinc/77/39/84/182773984.db2.gz DNMPYEVNDBCDCG-UHFFFAOYSA-N -1 0 315.395 1.778 50 0 DDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCCCn1ccnc1 ZINC000039349686 183017025 /nfs/dbraw/zinc/01/70/25/183017025.db2.gz HNSLYXUHSVULQH-HOAMVYINSA-N -1 0 305.378 1.526 50 0 DDAARM C[C@@H]1CCc2sc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2C1 ZINC000043702297 183381658 /nfs/dbraw/zinc/38/16/58/183381658.db2.gz XYTVADQQOPZADS-KOLCDFICSA-N -1 0 309.387 1.799 50 0 DDAARM CCOC(=O)CN(C)c1ccc(NC(=O)CC)cc1C(=O)[O-] ZINC000046053507 183547378 /nfs/dbraw/zinc/54/73/78/183547378.db2.gz PMGQBEZNVVDNBP-UHFFFAOYSA-N -1 0 308.334 1.733 50 0 DDAARM O=C1[N-]C(=O)/C(=C\c2ccc(I)cc2)N1 ZINC000000564113 284857907 /nfs/dbraw/zinc/85/79/07/284857907.db2.gz AYKHCDIQJGOBPJ-VMPITWQZSA-N -1 0 314.082 1.472 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000268928562 207095717 /nfs/dbraw/zinc/09/57/17/207095717.db2.gz XKHRKWGXEKMIHW-ZOWXZIJZSA-N -1 0 317.341 1.746 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000062119986 184207234 /nfs/dbraw/zinc/20/72/34/184207234.db2.gz OZBNUBATOPBTAC-SSDOTTSWSA-N -1 0 307.730 1.574 50 0 DDAARM Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062132501 184207761 /nfs/dbraw/zinc/20/77/61/184207761.db2.gz ADMPTYPRPUQBRM-VIFPVBQESA-N -1 0 303.767 1.744 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Br)cn2)C1 ZINC000062914149 184259667 /nfs/dbraw/zinc/25/96/67/184259667.db2.gz SQNAYRSFELQQMY-LBPRGKRZSA-N -1 0 313.151 1.781 50 0 DDAARM O=C([O-])c1ccc2c(=O)n(-c3ccccc3F)c(=O)[nH]c2c1 ZINC000021966439 304251506 /nfs/dbraw/zinc/25/15/06/304251506.db2.gz XLXXNSUJHRHCIE-UHFFFAOYSA-N -1 0 300.245 1.516 50 0 DDAARM C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C[C@H](C)O1 ZINC000000540879 257213268 /nfs/dbraw/zinc/21/32/68/257213268.db2.gz ZJOGADBZWGFYOX-SCRDCRAPSA-N -1 0 306.362 1.501 50 0 DDAARM CCn1c(=O)c(N2CCC[C@H](C(=O)[O-])C2)nc2cccnc21 ZINC000021782447 134652995 /nfs/dbraw/zinc/65/29/95/134652995.db2.gz JNYHDQWSLBJCBK-JTQLQIEISA-N -1 0 302.334 1.112 50 0 DDAARM Cn1cc([C@H](NC(=O)c2ccc(F)cc2[O-])C2CC(O)C2)cn1 ZINC000223251902 407565273 /nfs/dbraw/zinc/56/52/73/407565273.db2.gz IQRWDQIVBMWRJM-DKBDQHFASA-N -1 0 319.336 1.507 50 0 DDAARM O=C(NCc1cccnc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001322974 406665092 /nfs/dbraw/zinc/66/50/92/406665092.db2.gz XDTQNWJNNGWWPM-UHFFFAOYSA-N -1 0 321.336 1.588 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cn1 ZINC000001430388 406669488 /nfs/dbraw/zinc/66/94/88/406669488.db2.gz IUFAEGAKOYDKED-UHFFFAOYSA-N -1 0 309.347 1.475 50 0 DDAARM CCC[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001575974 406672725 /nfs/dbraw/zinc/67/27/25/406672725.db2.gz LDWKLEOJLPWEIE-DGCLKSJQSA-N -1 0 322.361 1.671 50 0 DDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000001926524 406682288 /nfs/dbraw/zinc/68/22/88/406682288.db2.gz JLLRUAZHNVGNRA-LLVKDONJSA-N -1 0 300.717 1.254 50 0 DDAARM Cc1cc(C(=O)[N-]n2c(=O)c3ccccc3[nH]c2=S)nn1C ZINC000002791961 406701731 /nfs/dbraw/zinc/70/17/31/406701731.db2.gz ITDDKUUJXGKKSV-UHFFFAOYSA-N -1 0 315.358 1.111 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 ZINC000000312332 406639084 /nfs/dbraw/zinc/63/90/84/406639084.db2.gz SMQJECLGTLFGKM-UHFFFAOYSA-N -1 0 302.311 1.972 50 0 DDAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)[O-] ZINC000007141026 406750542 /nfs/dbraw/zinc/75/05/42/406750542.db2.gz YLMIKFVQIAQUTR-SGJFDWMWSA-N -1 0 304.755 1.302 50 0 DDAARM O=C([O-])[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc21 ZINC000003141037 406710095 /nfs/dbraw/zinc/71/00/95/406710095.db2.gz VSXIATZJERMSIY-AWEZNQCLSA-N -1 0 323.308 1.479 50 0 DDAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(N)=O ZINC000008978954 406800723 /nfs/dbraw/zinc/80/07/23/406800723.db2.gz KSUOPBDVBLQAOA-UHFFFAOYSA-N -1 0 311.388 1.660 50 0 DDAARM Cc1nc(-c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cs1 ZINC000011757356 406830528 /nfs/dbraw/zinc/83/05/28/406830528.db2.gz NUGWKQAOIRSBRM-UHFFFAOYSA-N -1 0 304.327 1.929 50 0 DDAARM CN1C(=O)COc2ccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)cc21 ZINC000071285464 406835609 /nfs/dbraw/zinc/83/56/09/406835609.db2.gz ZEYDBAFKDFMGGB-CHWSQXEVSA-N -1 0 318.329 1.337 50 0 DDAARM Cc1cc(NC(=O)c2nccnc2C(=O)[O-])n(-c2ccccn2)n1 ZINC000071287432 406837242 /nfs/dbraw/zinc/83/72/42/406837242.db2.gz ARWLSVNEDFVLTD-UHFFFAOYSA-N -1 0 324.300 1.316 50 0 DDAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(F)c1 ZINC000012941360 406855911 /nfs/dbraw/zinc/85/59/11/406855911.db2.gz XKEOAKDUIZHHLK-UHFFFAOYSA-N -1 0 312.322 1.972 50 0 DDAARM COc1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000013075879 406858384 /nfs/dbraw/zinc/85/83/84/406858384.db2.gz RKFQEXATIKRBQP-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 DDAARM O=C(N[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000071882447 406861238 /nfs/dbraw/zinc/86/12/38/406861238.db2.gz WAIHGWPQSTXMJR-QMMMGPOBSA-N -1 0 303.145 1.707 50 0 DDAARM COc1cccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c1OC ZINC000013787141 406868039 /nfs/dbraw/zinc/86/80/39/406868039.db2.gz APYCTGXYMOLJGP-POHAHGRESA-N -1 0 323.326 1.825 50 0 DDAARM COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c1 ZINC000012322697 406841105 /nfs/dbraw/zinc/84/11/05/406841105.db2.gz FRTJGPRARQWRGO-GFCCVEGCSA-N -1 0 316.317 1.587 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000034926331 406965756 /nfs/dbraw/zinc/96/57/56/406965756.db2.gz RHQLLBUXAVBDGH-ZIAGYGMSSA-N -1 0 320.364 1.831 50 0 DDAARM CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000035301297 406970370 /nfs/dbraw/zinc/97/03/70/406970370.db2.gz MLTKKOOZHUMUNS-SNVBAGLBSA-N -1 0 316.810 1.909 50 0 DDAARM Cc1cc(N2CCOC[C@@H](CO)C2)nc(-c2ccccc2[O-])n1 ZINC000077390231 406988958 /nfs/dbraw/zinc/98/89/58/406988958.db2.gz SGIUIZWZJNYMFG-CYBMUJFWSA-N -1 0 315.373 1.603 50 0 DDAARM O=C([O-])C1(NC(=O)C2CCN(C(=O)C3CC3)CC2)CCCCC1 ZINC000089818188 407152035 /nfs/dbraw/zinc/15/20/35/407152035.db2.gz RFTKYBDHWHLYCF-UHFFFAOYSA-N -1 0 322.405 1.539 50 0 DDAARM CCC[C@@H]1CN(C(=O)Cc2ccc(CO)cc2)C[C@H]1C(=O)[O-] ZINC000091270591 407181328 /nfs/dbraw/zinc/18/13/28/407181328.db2.gz RDQQGFLLKCDYSJ-HUUCEWRRSA-N -1 0 305.374 1.681 50 0 DDAARM Cn1cnnc1CN1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095360423 407208740 /nfs/dbraw/zinc/20/87/40/407208740.db2.gz ZINTUZGHEMVOET-AWEZNQCLSA-N -1 0 300.362 1.893 50 0 DDAARM CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000095973611 407219391 /nfs/dbraw/zinc/21/93/91/407219391.db2.gz WKBFSZKPTCQDGZ-PHIMTYICSA-N -1 0 312.391 1.627 50 0 DDAARM CCCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000101675394 407314497 /nfs/dbraw/zinc/31/44/97/407314497.db2.gz KLYPVAGFVBSCGX-LBPRGKRZSA-N -1 0 301.306 1.445 50 0 DDAARM CC(=O)c1cc(-c2nc(C3CCCC3)nn2CC(=O)[O-])n[nH]1 ZINC000097578783 407299738 /nfs/dbraw/zinc/29/97/38/407299738.db2.gz OFBBTWVYARMRDB-UHFFFAOYSA-N -1 0 303.322 1.613 50 0 DDAARM CNc1nc(-c2nc([C@H]3CCOC3)nn2CC(=O)[O-])cs1 ZINC000097610215 407300334 /nfs/dbraw/zinc/30/03/34/407300334.db2.gz PIJANFKBQDYXTD-ZETCQYMHSA-N -1 0 309.351 1.032 50 0 DDAARM Cc1c(F)cccc1S(=O)(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000170598980 407448817 /nfs/dbraw/zinc/44/88/17/407448817.db2.gz QHXFKIMCBCSSJL-MRVPVSSYSA-N -1 0 313.358 1.071 50 0 DDAARM CC(C)C[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000236761261 407769283 /nfs/dbraw/zinc/76/92/83/407769283.db2.gz BJIBAHCFJCZDMQ-CYBMUJFWSA-N -1 0 320.393 1.309 50 0 DDAARM Cn1nnc2cc(C(=O)N3CCC(CC(=O)[O-])CC3)ccc21 ZINC000262465614 407841457 /nfs/dbraw/zinc/84/14/57/407841457.db2.gz RKXIXLPJGMBIGC-UHFFFAOYSA-N -1 0 302.334 1.295 50 0 DDAARM O=C([O-])CN(C(=O)Cc1ccccc1Cl)C1CCOCC1 ZINC000238099969 407890733 /nfs/dbraw/zinc/89/07/33/407890733.db2.gz UEFACQXXCCQICY-UHFFFAOYSA-N -1 0 311.765 1.975 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)c2ncoc2[C@@H]2CCCO2)o1 ZINC000238129658 407893438 /nfs/dbraw/zinc/89/34/38/407893438.db2.gz WMTUIJFKPMYBAW-VIFPVBQESA-N -1 0 306.274 1.747 50 0 DDAARM C[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)O1 ZINC000119356298 408048612 /nfs/dbraw/zinc/04/86/12/408048612.db2.gz NIMXJQSGEUNBHM-XCBNKYQSSA-N -1 0 304.755 1.107 50 0 DDAARM O=C([O-])c1ccc(CC(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC000263339137 408111211 /nfs/dbraw/zinc/11/12/11/408111211.db2.gz OLEBSMRCZSNNJT-AWEZNQCLSA-N -1 0 314.345 1.383 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2csnc2C)(C(=O)[O-])C1(C)C ZINC000193031066 408685341 /nfs/dbraw/zinc/68/53/41/408685341.db2.gz COTXIEJHYWYJMT-YGRLFVJLSA-N -1 0 312.391 1.840 50 0 DDAARM O=C(C[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049515087 418478206 /nfs/dbraw/zinc/47/82/06/418478206.db2.gz BRWXRIAPUOAGBJ-JTQLQIEISA-N -1 0 318.782 1.250 50 0 DDAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C)cs2)c1 ZINC000062639934 418485641 /nfs/dbraw/zinc/48/56/41/418485641.db2.gz LUAORDGIYXYALO-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCC(Cc2ccccc2F)CC1 ZINC000426442943 419471492 /nfs/dbraw/zinc/47/14/92/419471492.db2.gz MUHJKUCEJFJLJU-UHFFFAOYSA-N -1 0 318.352 1.673 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)N(CCO)Cc1nccs1)C(=O)[O-] ZINC000426548386 419505547 /nfs/dbraw/zinc/50/55/47/419505547.db2.gz BROUTFCHLMJDGS-ONGXEEELSA-N -1 0 315.395 1.146 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 ZINC000299745226 229387048 /nfs/dbraw/zinc/38/70/48/229387048.db2.gz WVILPGRZJRFOHN-STQMWFEESA-N -1 0 319.357 1.791 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000299751479 229395742 /nfs/dbraw/zinc/39/57/42/229395742.db2.gz QQEJKTZNNVLEPV-BREBYQMCSA-N -1 0 311.284 1.585 50 0 DDAARM Cn1cc(CCCNC(=O)/C=C\c2ccc(C(=O)[O-])cc2)cn1 ZINC000492172796 421210076 /nfs/dbraw/zinc/21/00/76/421210076.db2.gz WMFRJXWDBPMDBX-TWGQIWQCSA-N -1 0 313.357 1.881 50 0 DDAARM O=C([O-])[C@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1ccccc1 ZINC000630446714 422108408 /nfs/dbraw/zinc/10/84/08/422108408.db2.gz UVHJMQBOZGHSMA-WDEREUQCSA-N -1 0 319.329 1.777 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)/C=C\c1ccc(N2CCCC2=O)cc1 ZINC000606442081 422459714 /nfs/dbraw/zinc/45/97/14/422459714.db2.gz NBHCIKLDHZWNFQ-UMAGTOLTSA-N -1 0 316.357 1.758 50 0 DDAARM Cc1c(Cl)c(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])nn1C ZINC000655597945 424588739 /nfs/dbraw/zinc/58/87/39/424588739.db2.gz XPUJWZLOXNLNHX-SNVBAGLBSA-N -1 0 322.752 1.203 50 0 DDAARM COc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(C)C3=O)NN2)cc1 ZINC000009059084 277934685 /nfs/dbraw/zinc/93/46/85/277934685.db2.gz RJOUSSJYESACNT-ZOAHYWAASA-N -1 0 316.317 1.037 50 0 DDAARM CC(=O)NCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095374694 278092861 /nfs/dbraw/zinc/09/28/61/278092861.db2.gz TVWFUTXDSFPXPT-CQSZACIVSA-N -1 0 304.346 1.227 50 0 DDAARM COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])nn1 ZINC000268947079 295094588 /nfs/dbraw/zinc/09/45/88/295094588.db2.gz NKFSFFGATYOYQO-ZDUSSCGKSA-N -1 0 313.313 1.137 50 0 DDAARM CCCc1cc([N-]S(=O)(=O)c2cccc3nonc32)n[nH]1 ZINC000084758982 484002295 /nfs/dbraw/zinc/00/22/95/484002295.db2.gz YOCBNYYPQUQGDN-UHFFFAOYSA-N -1 0 307.335 1.699 50 0 DDAARM O=C([O-])CN(C(=O)/C=C/c1ccccc1F)C1CCOCC1 ZINC000328595116 534498476 /nfs/dbraw/zinc/49/84/76/534498476.db2.gz LGPOVZKPPVTCJN-AATRIKPKSA-N -1 0 307.321 1.931 50 0 DDAARM CC(C)(C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000299746236 527509315 /nfs/dbraw/zinc/50/93/15/527509315.db2.gz VYYYTFWVXIRXGV-LBPRGKRZSA-N -1 0 311.765 1.930 50 0 DDAARM CCOc1ccc2c(c1)C[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)CO2 ZINC000299743112 528621724 /nfs/dbraw/zinc/62/17/24/528621724.db2.gz LVOJEXXRNVAFHH-YPMHNXCESA-N -1 0 319.357 1.570 50 0 DDAARM CCn1cnnc1CN(C)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000215705916 545650788 /nfs/dbraw/zinc/65/07/88/545650788.db2.gz WXDUIFLVUBMLHG-GFCCVEGCSA-N -1 0 318.377 1.782 50 0 DDAARM CC(=O)N1CCN([C@@H](C(=O)[O-])c2cc(C)ccc2Cl)CC1 ZINC000095362994 696602697 /nfs/dbraw/zinc/60/26/97/696602697.db2.gz ZVQRYMYCNNJVPM-CQSZACIVSA-N -1 0 310.781 1.938 50 0 DDAARM O=C([O-])COc1ccccc1C=NNC(=O)c1ccc(O)cc1 ZINC000254828907 698408667 /nfs/dbraw/zinc/40/86/67/698408667.db2.gz XSKARGLNLJQZKF-UHFFFAOYSA-N -1 0 314.297 1.620 50 0 DDAARM COc1ccc(Br)cc1CNC(=O)[C@@H](C)C(=O)[O-] ZINC000258776851 698426160 /nfs/dbraw/zinc/42/61/60/698426160.db2.gz SPKXQWCGGAOLBO-SSDOTTSWSA-N -1 0 316.151 1.795 50 0 DDAARM COC(=O)c1cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)on1 ZINC000864095866 706066461 /nfs/dbraw/zinc/06/64/61/706066461.db2.gz JCYLYEDXUOLHPR-ZDUSSCGKSA-N -1 0 316.313 1.645 50 0 DDAARM CCC[C@H](NC(=O)C1=Cc2cccc(OC)c2OC1)C(=O)[O-] ZINC000262108010 539275422 /nfs/dbraw/zinc/27/54/22/539275422.db2.gz GKDITNFVLGUXFX-LBPRGKRZSA-N -1 0 305.330 1.841 50 0 DDAARM COc1cccc([C@@H](C)C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000262095079 539275429 /nfs/dbraw/zinc/27/54/29/539275429.db2.gz MBHLHDDUTPWARB-LLVKDONJSA-N -1 0 307.346 1.237 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263282201 539276080 /nfs/dbraw/zinc/27/60/80/539276080.db2.gz XMXQXPPCTNTSAM-NEPJUHHUSA-N -1 0 307.346 1.786 50 0 DDAARM CC(C)(CNC(=O)C1(c2ccccc2)CCOCC1)C(=O)[O-] ZINC000095425510 185361659 /nfs/dbraw/zinc/36/16/59/185361659.db2.gz PPJAMIDNZVWGCH-UHFFFAOYSA-N -1 0 305.374 1.962 50 0 DDAARM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2nc[nH]c(=O)c2c1 ZINC000685945007 539567249 /nfs/dbraw/zinc/56/72/49/539567249.db2.gz NVTAOBYWGZLAHD-VIFPVBQESA-N -1 0 323.374 1.577 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000342524661 282564854 /nfs/dbraw/zinc/56/48/54/282564854.db2.gz LTNGRHUUAOBNSV-AWEZNQCLSA-N -1 0 312.325 1.935 50 0 DDAARM CCc1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])sc1C ZINC000070215817 190872596 /nfs/dbraw/zinc/87/25/96/190872596.db2.gz BSKLRQIMGLAJRU-JTQLQIEISA-N -1 0 310.375 1.034 50 0 DDAARM CC(=O)N[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCC1 ZINC000236713166 201977463 /nfs/dbraw/zinc/97/74/63/201977463.db2.gz SUKANTXIIFXWSM-CZUORRHYSA-N -1 0 324.421 1.785 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000155796949 186113154 /nfs/dbraw/zinc/11/31/54/186113154.db2.gz NAKLHKYZDMNPHO-CYBMUJFWSA-N -1 0 317.345 1.255 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc2nccn2c1 ZINC000172156256 198049070 /nfs/dbraw/zinc/04/90/70/198049070.db2.gz RUBYWAFPEJVHMT-CQSZACIVSA-N -1 0 309.325 1.760 50 0 DDAARM O=C([O-])C1=C(c2ccccc2)N2CCS(=O)(=O)N=C2S1 ZINC000039947461 304035276 /nfs/dbraw/zinc/03/52/76/304035276.db2.gz PULZBSDJPIMYKA-UHFFFAOYSA-N -1 0 310.356 1.188 50 0 DDAARM COc1cccc2cc(C(=O)N(C)C[C@H](C)c3nnn[n-]3)oc21 ZINC000123981429 354035938 /nfs/dbraw/zinc/03/59/38/354035938.db2.gz ZVGNLSDAVKCIDE-VIFPVBQESA-N -1 0 315.333 1.830 50 0 DDAARM Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](O)CC(=O)[O-])c1C ZINC000398254116 354655734 /nfs/dbraw/zinc/65/57/34/354655734.db2.gz YIIKFFNHPREHHD-GFCCVEGCSA-N -1 0 315.391 1.034 50 0 DDAARM Cc1ccc(SCCCNC(=O)NCc2nnn[n-]2)cc1 ZINC000584889862 354792512 /nfs/dbraw/zinc/79/25/12/354792512.db2.gz NCPHZXJUKDRGTN-UHFFFAOYSA-N -1 0 306.395 1.490 50 0 DDAARM O=C([O-])C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 ZINC000009646659 304041979 /nfs/dbraw/zinc/04/19/79/304041979.db2.gz WHVOILKXHRDNMW-UHFFFAOYSA-N -1 0 315.255 1.444 50 0 DDAARM O=c1[n-]c(NCc2cccnc2)nnc1Cc1ccc(F)cc1 ZINC000005154626 181210672 /nfs/dbraw/zinc/21/06/72/181210672.db2.gz YGVNBBJJIUFKRC-UHFFFAOYSA-N -1 0 311.320 1.902 50 0 DDAARM CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000005217308 181218539 /nfs/dbraw/zinc/21/85/39/181218539.db2.gz UHIHTXYPLNHRNY-AWEZNQCLSA-N -1 0 305.378 1.627 50 0 DDAARM COCc1cnc(C2=N[C@@](C)(C(C)C)C(=O)N2)c(C(=O)[O-])c1 ZINC000005442728 181243546 /nfs/dbraw/zinc/24/35/46/181243546.db2.gz NUPJIGQFXCQJBK-HNNXBMFYSA-N -1 0 305.334 1.217 50 0 in-vitro DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000237173894 202175535 /nfs/dbraw/zinc/17/55/35/202175535.db2.gz JHNASBWXEFANPR-MRZGDXHCSA-N -1 0 316.357 1.383 50 0 DDAARM Cc1n[n-]c(SCC(=O)Nc2ccc(Cl)cc2)nc1=O ZINC000005941048 181299480 /nfs/dbraw/zinc/29/94/80/181299480.db2.gz OJCXUXBJJMZAOT-UHFFFAOYSA-N -1 0 310.766 1.858 50 0 DDAARM O=C([O-])c1cc(C(=O)N2CCOCC2)n(-c2ccccc2)n1 ZINC000238161804 202447350 /nfs/dbraw/zinc/44/73/50/202447350.db2.gz GEKSMSKOJBKJIT-UHFFFAOYSA-N -1 0 301.302 1.043 50 0 DDAARM Cc1n[n-]c(SCc2nc3ccccc3c(=O)[nH]2)nc1=O ZINC000006016799 181306223 /nfs/dbraw/zinc/30/62/23/181306223.db2.gz ITUDWGAUDUVRME-UHFFFAOYSA-N -1 0 301.331 1.002 50 0 DDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000006419617 181339750 /nfs/dbraw/zinc/33/97/50/181339750.db2.gz ZCMVEWJQSLFRDY-SEYXRHQNSA-N -1 0 305.378 1.814 50 0 DDAARM CCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000062874090 284022156 /nfs/dbraw/zinc/02/21/56/284022156.db2.gz KFTIQDYWEOWORP-ZDUSSCGKSA-N -1 0 315.395 1.076 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCOC2CCOCC2)c2ccccc21 ZINC000262685211 203381937 /nfs/dbraw/zinc/38/19/37/203381937.db2.gz AELYKKIZZZHMMP-CQSZACIVSA-N -1 0 319.357 1.787 50 0 DDAARM CCc1ccccc1OCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262697386 203386382 /nfs/dbraw/zinc/38/63/82/203386382.db2.gz BMEYCRHLYRFOMZ-ZDUSSCGKSA-N -1 0 307.346 1.330 50 0 DDAARM C[C@@H]1C[C@H](C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CCO1 ZINC000262751020 297334905 /nfs/dbraw/zinc/33/49/05/297334905.db2.gz ISWLRYFDQFLAIW-UXIGCNINSA-N -1 0 303.358 1.840 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)c(OC)c1 ZINC000012323237 181750126 /nfs/dbraw/zinc/75/01/26/181750126.db2.gz RKZHJFNNMINYNU-LLVKDONJSA-N -1 0 302.290 1.279 50 0 DDAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1 ZINC000013615941 181869129 /nfs/dbraw/zinc/86/91/29/181869129.db2.gz UPYPEOANXAVGER-ZDUSSCGKSA-N -1 0 320.345 1.399 50 0 DDAARM CC(C)c1nc(COCC(F)(F)C(F)F)n(CC(=O)[O-])n1 ZINC000097619506 193740771 /nfs/dbraw/zinc/74/07/71/193740771.db2.gz ODPWAQMEBMFFAI-UHFFFAOYSA-N -1 0 313.251 1.903 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1Cl ZINC000101347679 193811353 /nfs/dbraw/zinc/81/13/53/193811353.db2.gz WULAOJJCOXOFHW-SNVBAGLBSA-N -1 0 306.709 1.924 50 0 DDAARM COc1ccc(Br)c(C(=O)[N-]S(C)(=O)=O)c1 ZINC000042279273 183249508 /nfs/dbraw/zinc/24/95/08/183249508.db2.gz FCZOZTWCUOWQPD-UHFFFAOYSA-N -1 0 308.153 1.147 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@@H]2COc3ccccc3C2)CCSC1 ZINC000043508915 183368111 /nfs/dbraw/zinc/36/81/11/183368111.db2.gz KDBHRYOBJLXMKI-XHDPSFHLSA-N -1 0 307.371 1.314 50 0 DDAARM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OC(C)C ZINC000268967731 207131049 /nfs/dbraw/zinc/13/10/49/207131049.db2.gz DUOATXNWXHWVBP-GFCCVEGCSA-N -1 0 323.345 1.408 50 0 DDAARM CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268956217 207121643 /nfs/dbraw/zinc/12/16/43/207121643.db2.gz VEVXIZZQUXWMLH-PHDIDXHHSA-N -1 0 308.281 1.841 50 0 DDAARM COc1cc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])cc(OC)c1 ZINC000268988156 207145733 /nfs/dbraw/zinc/14/57/33/207145733.db2.gz QYNHVGUJNMPZSB-XGACYXMMSA-N -1 0 321.329 1.029 50 0 DDAARM Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062132681 184207930 /nfs/dbraw/zinc/20/79/30/184207930.db2.gz AQBKKJVLHFWXGI-SECBINFHSA-N -1 0 303.767 1.744 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1COC1CCOCC1 ZINC000269086106 207230290 /nfs/dbraw/zinc/23/02/90/207230290.db2.gz MOPFWZPSLCZEFL-LBPRGKRZSA-N -1 0 321.373 1.927 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Br)cn2)C1 ZINC000062914150 184259838 /nfs/dbraw/zinc/25/98/38/184259838.db2.gz SQNAYRSFELQQMY-GFCCVEGCSA-N -1 0 313.151 1.781 50 0 DDAARM Cc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2cnn(C)c2)s1 ZINC000069491987 184519979 /nfs/dbraw/zinc/51/99/79/184519979.db2.gz KKHHGCBMQCPBQH-FZMZJTMJSA-N -1 0 319.386 1.964 50 0 DDAARM O=C([O-])c1cccc(NC(=O)CN2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000244874311 304262899 /nfs/dbraw/zinc/26/28/99/304262899.db2.gz WYYQVPWLNOLCDU-HUUCEWRRSA-N -1 0 318.373 1.967 50 0 DDAARM O=C([O-])c1ccccc1CCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000263547545 304268780 /nfs/dbraw/zinc/26/87/80/304268780.db2.gz USIWVSWUVRKHAT-OAHLLOKOSA-N -1 0 303.358 1.955 50 0 DDAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000000504099 257240033 /nfs/dbraw/zinc/24/00/33/257240033.db2.gz VWADLVXAGIUIOX-AWEZNQCLSA-N -1 0 321.354 1.805 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000071282671 257253735 /nfs/dbraw/zinc/25/37/35/257253735.db2.gz BATUTGLUDJGLDN-ICCXJUOJSA-N -1 0 305.330 1.299 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc(OC[C@H]2CCCO2)c1)C1CC1 ZINC000268886915 257256717 /nfs/dbraw/zinc/25/67/17/257256717.db2.gz CIGOXCTVBNKKAM-OAHLLOKOSA-N -1 0 319.357 1.934 50 0 DDAARM CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000123062008 195539481 /nfs/dbraw/zinc/53/94/81/195539481.db2.gz VVSUWYSRCXWAQQ-UHFFFAOYSA-N -1 0 321.308 1.903 50 0 DDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000001429163 406669088 /nfs/dbraw/zinc/66/90/88/406669088.db2.gz JIDGVSGUHJTQCU-UHFFFAOYSA-N -1 0 309.347 1.301 50 0 DDAARM Cc1cc(=O)oc2cc(OCC(=O)NCCC(=O)[O-])ccc12 ZINC000001750389 406678857 /nfs/dbraw/zinc/67/88/57/406678857.db2.gz BPYDGLYIEFWRLE-UHFFFAOYSA-N -1 0 305.286 1.071 50 0 biogenic DDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)NCCC(=O)[O-] ZINC000002103417 406681350 /nfs/dbraw/zinc/68/13/50/406681350.db2.gz LKSLCKHDOPWGLL-UHFFFAOYSA-N -1 0 319.313 1.331 50 0 biogenic DDAARM O=C([O-])CN1C(=O)S[C@H](Nc2ccc(Cl)cc2)C1=O ZINC000002325742 406688650 /nfs/dbraw/zinc/68/86/50/406688650.db2.gz UBFLNEIKRUVVTP-VIFPVBQESA-N -1 0 300.723 1.858 50 0 DDAARM O=C1N2CCSC2=N[C@@]1([N-]c1nccs1)C(F)(F)F ZINC000002492485 406690033 /nfs/dbraw/zinc/69/00/33/406690033.db2.gz HQVDQPUQHSZDGV-MRVPVSSYSA-N -1 0 308.310 1.759 50 0 DDAARM COc1ccc(NC(=O)c2cc(C(=O)[O-])n(C)n2)cc1OC ZINC000002765173 406698297 /nfs/dbraw/zinc/69/82/97/406698297.db2.gz YGTILMHGZPGRTR-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM O=C([O-])c1nccnc1C(=O)NCCc1c[nH]c2ccccc12 ZINC000003277022 406715989 /nfs/dbraw/zinc/71/59/89/406715989.db2.gz SSMAJXIUUJHXMF-UHFFFAOYSA-N -1 0 310.313 1.629 50 0 biogenic DDAARM CCOc1ccc2nc(Nc3nc([O-])cc(=O)[nH]3)nc(C)c2c1 ZINC000008576548 406790903 /nfs/dbraw/zinc/79/09/03/406790903.db2.gz GSZJFVYWYBIRNS-UHFFFAOYSA-N -1 0 313.317 1.869 50 0 DDAARM CCCCn1c([O-])c([C@@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000008971270 406799841 /nfs/dbraw/zinc/79/98/41/406799841.db2.gz WKMNZEUIFUGZJT-GFCCVEGCSA-N -1 0 316.313 1.302 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000071287562 406837478 /nfs/dbraw/zinc/83/74/78/406837478.db2.gz CFFJYCVUTYAVPH-ZJUUUORDSA-N -1 0 310.737 1.734 50 0 DDAARM COC(=O)c1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071286192 406837550 /nfs/dbraw/zinc/83/75/50/406837550.db2.gz ANMCAHVTGSLBSX-RYUDHWBXSA-N -1 0 321.329 1.777 50 0 DDAARM Cc1ccc(F)c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000013002028 406857149 /nfs/dbraw/zinc/85/71/49/406857149.db2.gz IGAGEVQCQGDJTG-UHFFFAOYSA-N -1 0 312.322 1.972 50 0 DDAARM Cn1cc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2CCc2cccnc2)cn1 ZINC000072275735 406876993 /nfs/dbraw/zinc/87/69/93/406876993.db2.gz UTJJSEVFJARAEC-UKRRQHHQSA-N -1 0 314.345 1.032 50 0 DDAARM Cc1ccccc1NC(=O)C[C@@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022584861 406891008 /nfs/dbraw/zinc/89/10/08/406891008.db2.gz FXCIFSPPXCAQMC-AWEZNQCLSA-N -1 0 305.378 1.024 50 0 DDAARM Cc1ccc(F)cc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037377005 406988376 /nfs/dbraw/zinc/98/83/76/406988376.db2.gz JUXUOHMFESYVSK-NSHDSACASA-N -1 0 301.339 1.762 50 0 DDAARM CC[C@H]1COCCN1CC(=O)NCc1cc(C(=O)[O-])ccc1C ZINC000077407561 406990259 /nfs/dbraw/zinc/99/02/59/406990259.db2.gz NABOZBBCIFBDLI-HNNXBMFYSA-N -1 0 320.389 1.420 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000079488026 407055286 /nfs/dbraw/zinc/05/52/86/407055286.db2.gz AKVSNAWWVVMXGV-HNNXBMFYSA-N -1 0 310.781 1.895 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 ZINC000089830235 407153597 /nfs/dbraw/zinc/15/35/97/407153597.db2.gz RUSPHNPNFOUCIE-CQSZACIVSA-N -1 0 303.358 1.711 50 0 DDAARM CCc1nnsc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090940656 407173380 /nfs/dbraw/zinc/17/33/80/407173380.db2.gz MTLGJABDKPBFJV-UHFFFAOYSA-N -1 0 312.376 1.228 50 0 DDAARM Cc1cccc(CN(C(=O)Cn2[n-]c(=O)ccc2=O)C(C)C)c1 ZINC000055309044 407201301 /nfs/dbraw/zinc/20/13/01/407201301.db2.gz QTIQFTKWMSFPFC-UHFFFAOYSA-N -1 0 315.373 1.282 50 0 DDAARM C[C@@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000095970589 407218675 /nfs/dbraw/zinc/21/86/75/407218675.db2.gz TWBRARQMKZBAPF-NSHDSACASA-N -1 0 313.357 1.812 50 0 DDAARM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095976986 407219341 /nfs/dbraw/zinc/21/93/41/407219341.db2.gz PVXHEFWVKJKTBA-QMMMGPOBSA-N -1 0 320.284 1.267 50 0 DDAARM CC(C)(C)c1ccc2c(c1)CN(C(=O)c1nc(=O)[nH][n-]1)CC2 ZINC000096004837 407222420 /nfs/dbraw/zinc/22/24/20/407222420.db2.gz GOBCDRZVBMFNLU-UHFFFAOYSA-N -1 0 300.362 1.594 50 0 DDAARM C[C@](NC(=O)c1cnn(Cc2ccccc2)c1)(C(=O)[O-])C1CC1 ZINC000097036224 407276167 /nfs/dbraw/zinc/27/61/67/407276167.db2.gz VRVWVEAMXQWOCM-QGZVFWFLSA-N -1 0 313.357 1.915 50 0 DDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)n1 ZINC000097114348 407281087 /nfs/dbraw/zinc/28/10/87/407281087.db2.gz LWEYPKXOWSTYHF-UHFFFAOYSA-N -1 0 309.395 1.747 50 0 DDAARM CCc1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)OC)n2)cc1 ZINC000067899351 407289565 /nfs/dbraw/zinc/28/95/65/407289565.db2.gz BZUMMBIEQUVHBL-UHFFFAOYSA-N -1 0 323.374 1.419 50 0 DDAARM CCc1nc(C)sc1CN1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000097575003 407300151 /nfs/dbraw/zinc/30/01/51/407300151.db2.gz VJUYROWFQUQDEI-GFCCVEGCSA-N -1 0 306.391 1.749 50 0 DDAARM COc1cccc(CCNC(=O)c2[nH]cnc2C(=O)[O-])c1OC ZINC000216387781 407495630 /nfs/dbraw/zinc/49/56/30/407495630.db2.gz UCCLMRLWWPNUKN-UHFFFAOYSA-N -1 0 319.317 1.098 50 0 DDAARM CCOC(=O)c1c(SC)[n-]n2c1nc1c(c2=O)CCCC1 ZINC000225371036 407581256 /nfs/dbraw/zinc/58/12/56/407581256.db2.gz PFUVTWGJZNDYBH-UHFFFAOYSA-N -1 0 307.375 1.800 50 0 DDAARM COc1cc(C(=O)NCCc2nc(=O)o[n-]2)ccc1OC(C)C ZINC000225722418 407600782 /nfs/dbraw/zinc/60/07/82/407600782.db2.gz FMROXCIGOBHCKM-UHFFFAOYSA-N -1 0 321.333 1.131 50 0 DDAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc(-n2ccnn2)cc1)C1CC1 ZINC000262059811 407727149 /nfs/dbraw/zinc/72/71/49/407727149.db2.gz BNXWOPTXCZQABD-SNVBAGLBSA-N -1 0 300.318 1.345 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@H](C(=O)[O-])C1)CCc1ccccc1 ZINC000236690132 407751788 /nfs/dbraw/zinc/75/17/88/407751788.db2.gz UKKOPQWQLLOYMC-HVCHUGMYSA-N -1 0 303.358 1.878 50 0 DDAARM CC(C)(C)c1noc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000236659404 407741676 /nfs/dbraw/zinc/74/16/76/407741676.db2.gz XWLAINAGEGYXJJ-HNNXBMFYSA-N -1 0 309.366 1.623 50 0 DDAARM CN(CCC(=O)[O-])S(=O)(=O)c1cccnc1C(F)(F)F ZINC000262298767 407788306 /nfs/dbraw/zinc/78/83/06/407788306.db2.gz JVQAZABEXKCZFQ-UHFFFAOYSA-N -1 0 312.269 1.196 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000262438185 407834389 /nfs/dbraw/zinc/83/43/89/407834389.db2.gz UCZAUFOEGFPRMM-WZRBSPASSA-N -1 0 309.749 1.961 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000238080126 407884750 /nfs/dbraw/zinc/88/47/50/407884750.db2.gz YMYZCKSMVIBDPS-LBPRGKRZSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3ccoc3)n2)CCO1 ZINC000238132261 407892396 /nfs/dbraw/zinc/89/23/96/407892396.db2.gz APPCWHICQVTNNA-SNVBAGLBSA-N -1 0 308.315 1.329 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C/C=C/c2cccc(F)c2)CCO1 ZINC000238193182 407895874 /nfs/dbraw/zinc/89/58/74/407895874.db2.gz NOYXTVGGMOBGTG-KWEXDPCDSA-N -1 0 307.321 1.931 50 0 DDAARM O=C([N-]S(=O)(=O)C1CCC1)c1cccc(-c2nc[nH]n2)c1 ZINC000241157312 407909993 /nfs/dbraw/zinc/90/99/93/407909993.db2.gz JWSCKCAVCRORJQ-UHFFFAOYSA-N -1 0 306.347 1.084 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCO1 ZINC000262905383 407966400 /nfs/dbraw/zinc/96/64/00/407966400.db2.gz CAGXSBQCOFFKCZ-SCVCMEIPSA-N -1 0 311.284 1.380 50 0 DDAARM CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000262923936 407972747 /nfs/dbraw/zinc/97/27/47/407972747.db2.gz KRKYVZPXDLOUSW-LLVKDONJSA-N -1 0 308.309 1.863 50 0 DDAARM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263080259 408018423 /nfs/dbraw/zinc/01/84/23/408018423.db2.gz UVGDILMNMDNVKL-YRRQLQLVSA-N -1 0 320.345 1.110 50 0 DDAARM O=C([O-])CC1(NC(=O)c2csc(C3CC3)n2)CCOCC1 ZINC000119444850 408068982 /nfs/dbraw/zinc/06/89/82/408068982.db2.gz CZZKUNYZQNESQD-UHFFFAOYSA-N -1 0 310.375 1.774 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2csc(-c3ncccn3)n2)C1 ZINC000136154449 408083264 /nfs/dbraw/zinc/08/32/64/408083264.db2.gz GLGMRXBXJXFSTP-SECBINFHSA-N -1 0 318.358 1.537 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000136486772 408105750 /nfs/dbraw/zinc/10/57/50/408105750.db2.gz VOSKXHZYMOBSSM-CYBMUJFWSA-N -1 0 318.308 1.486 50 0 DDAARM Cc1ccc(F)cc1CN1CCO[C@@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263515992 408161831 /nfs/dbraw/zinc/16/18/31/408161831.db2.gz ORLFWUOHUNERAI-HNNXBMFYSA-N -1 0 310.369 1.351 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000263553326 408172618 /nfs/dbraw/zinc/17/26/18/408172618.db2.gz MLVNHCKTVRTWFK-AAEUAGOBSA-N -1 0 304.346 1.361 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2csc(-c3ccccn3)n2)C1 ZINC000178273797 408797455 /nfs/dbraw/zinc/79/74/55/408797455.db2.gz ZNMCPBAWHZNDES-VIFPVBQESA-N -1 0 303.343 1.752 50 0 DDAARM Cn1cc(/C=C\C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000314071260 409823866 /nfs/dbraw/zinc/82/38/66/409823866.db2.gz LJQZNFHBCGZCBI-GJHKLMEXSA-N -1 0 303.362 1.678 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)[C@@H]1CCCCO1 ZINC000131861777 196204392 /nfs/dbraw/zinc/20/43/92/196204392.db2.gz FKAGKEOZEZUFJE-ZDUSSCGKSA-N -1 0 320.370 1.609 50 0 DDAARM CC(C)(C)c1noc(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000136531117 196540778 /nfs/dbraw/zinc/54/07/78/196540778.db2.gz PEPSHEHSVGWIMN-SNVBAGLBSA-N -1 0 309.366 1.765 50 0 DDAARM CCSCCC(=O)[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000049515839 418478111 /nfs/dbraw/zinc/47/81/11/418478111.db2.gz WHRDYRNAECRRED-UHFFFAOYSA-N -1 0 303.405 1.643 50 0 DDAARM C[C@]1(C(=O)[O-])CCCCN1CC(=O)NCCc1ccc(F)cc1 ZINC000391300731 418757128 /nfs/dbraw/zinc/75/71/28/418757128.db2.gz UWVGMKJAFQZNCR-QGZVFWFLSA-N -1 0 322.380 1.814 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)N(Cc1cnn(C)c1)C1CC1)C(=O)[O-] ZINC000426389558 419458349 /nfs/dbraw/zinc/45/83/49/419458349.db2.gz BCUCTNUKRZYWLB-GWCFXTLKSA-N -1 0 308.382 1.593 50 0 DDAARM CSCC[C@H](NC(=O)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000426550716 228586518 /nfs/dbraw/zinc/58/65/18/228586518.db2.gz ZNGMNKLSRUPLRZ-LBPRGKRZSA-N -1 0 309.387 1.948 50 0 DDAARM Cc1nc2ccc(Cl)cn2c1C(=O)N1CC=C[C@H]1C(=O)[O-] ZINC000426581353 419509749 /nfs/dbraw/zinc/50/97/49/419509749.db2.gz WXEQTGANSAPBJI-JTQLQIEISA-N -1 0 305.721 1.761 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000425260649 420331064 /nfs/dbraw/zinc/33/10/64/420331064.db2.gz VCPTYTANWZDKJM-CYBMUJFWSA-N -1 0 300.318 1.454 50 0 DDAARM COc1cccc(C[C@H](NC(=O)[C@@H]2O[C@H](C)C[C@@H]2C)C(=O)[O-])c1 ZINC000630246028 421985413 /nfs/dbraw/zinc/98/54/13/421985413.db2.gz ZUXCZZZOUFVRRA-IDTSFGKNSA-N -1 0 321.373 1.621 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000583650515 422210394 /nfs/dbraw/zinc/21/03/94/422210394.db2.gz UVGJNEDHRDYRAU-NSHDSACASA-N -1 0 307.346 1.712 50 0 DDAARM COc1ccc2c(c1)[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])CCC2 ZINC000655541193 424554806 /nfs/dbraw/zinc/55/48/06/424554806.db2.gz YFQBFIYFBKNUOC-HIFRSBDPSA-N -1 0 319.357 1.427 50 0 DDAARM CC(=O)N1CCC(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1 ZINC000236604597 277982060 /nfs/dbraw/zinc/98/20/60/277982060.db2.gz FMEWWGBANBTERT-KKUMJFAQSA-N -1 0 322.405 1.489 50 0 DDAARM CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)[O-])cc(C(C)C)nc21 ZINC000008938403 279251639 /nfs/dbraw/zinc/25/16/39/279251639.db2.gz ZSKISIZGBLPYRV-UHFFFAOYSA-N -1 0 305.334 1.562 50 0 DDAARM CC(C)c1nc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cn1C ZINC000263283250 280664114 /nfs/dbraw/zinc/66/41/14/280664114.db2.gz YXMGQTCHOKFSEJ-SNVBAGLBSA-N -1 0 315.395 1.171 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CSc3ccccc3O2)C1 ZINC000299744791 297882268 /nfs/dbraw/zinc/88/22/68/297882268.db2.gz PYADUHFDDOSXAZ-IAQYHMDHSA-N -1 0 307.371 1.863 50 0 DDAARM Cc1ccc2[nH]c(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2c1C ZINC000262543661 301871031 /nfs/dbraw/zinc/87/10/31/301871031.db2.gz VOHWXVAHTQYFFU-CQSZACIVSA-N -1 0 302.330 1.710 50 0 DDAARM Cn1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1=O ZINC000263885716 302950942 /nfs/dbraw/zinc/95/09/42/302950942.db2.gz HWHSJPUUSCPCIW-UHTWSYAYSA-N -1 0 304.346 1.243 50 0 DDAARM Cn1nc2c(c1C(=O)N[C@H](C(=O)[O-])c1ccccc1)CCCC2 ZINC000426701526 303044576 /nfs/dbraw/zinc/04/45/76/303044576.db2.gz ZUGPQDVKTOISGS-AWEZNQCLSA-N -1 0 313.357 1.855 50 0 DDAARM COCc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000532602489 303292093 /nfs/dbraw/zinc/29/20/93/303292093.db2.gz KEGWMOFQCNETHK-UHFFFAOYSA-N -1 0 307.346 1.539 50 0 DDAARM O=C(N[C@@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000071882446 303844571 /nfs/dbraw/zinc/84/45/71/303844571.db2.gz WAIHGWPQSTXMJR-MRVPVSSYSA-N -1 0 303.145 1.707 50 0 DDAARM CCc1sc(=O)n(CC(=O)NCC(=O)[O-])c1-c1ccccc1 ZINC000564983670 308015583 /nfs/dbraw/zinc/01/55/83/308015583.db2.gz BWSJDXHWTAOTFO-UHFFFAOYSA-N -1 0 320.370 1.340 50 0 DDAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NNc2ccccc2)C1=O ZINC000017250713 331573932 /nfs/dbraw/zinc/57/39/32/331573932.db2.gz ZDAOFXMRHDLMPA-ACCUITESSA-N -1 0 316.361 1.756 50 0 DDAARM CNC(=O)C1(NC(=O)c2ccccc2C(=O)[O-])CCCCC1 ZINC000534576673 334287803 /nfs/dbraw/zinc/28/78/03/334287803.db2.gz DKWMIJOQIJOHNN-UHFFFAOYSA-N -1 0 304.346 1.564 50 0 DDAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC12CCC2 ZINC000081785883 483980512 /nfs/dbraw/zinc/98/05/12/483980512.db2.gz FBMPMUDUNBPYRF-UHFFFAOYSA-N -1 0 301.371 1.980 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000299747444 534526672 /nfs/dbraw/zinc/52/66/72/534526672.db2.gz DAMROVHKODEDIY-ZDUSSCGKSA-N -1 0 306.293 1.162 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000299747282 534526480 /nfs/dbraw/zinc/52/64/80/534526480.db2.gz CKYQOYDZZBRNKI-NDMJEZRESA-N -1 0 311.284 1.380 50 0 DDAARM Cn1nccc1/C=C/C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000328589201 534841147 /nfs/dbraw/zinc/84/11/47/534841147.db2.gz CATOLQDMNJKVOU-KRLPOIQQSA-N -1 0 303.362 1.678 50 0 DDAARM C[C@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1nnn[n-]1 ZINC000072131804 696393194 /nfs/dbraw/zinc/39/31/94/696393194.db2.gz KEJQHZXVXRGSAA-ZETCQYMHSA-N -1 0 301.358 1.347 50 0 DDAARM O=C(Cc1ccsc1)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000195163708 697733133 /nfs/dbraw/zinc/73/31/33/697733133.db2.gz JEEPAASWFMXFRI-UHFFFAOYSA-N -1 0 322.411 1.714 50 0 DDAARM COc1ccccc1O[C@H](C)CNC(=O)c1cc(C(=O)[O-])on1 ZINC000863981656 706049902 /nfs/dbraw/zinc/04/99/02/706049902.db2.gz DXDXCRBFCAEWIW-SECBINFHSA-N -1 0 320.301 1.579 50 0 DDAARM CCO[C@@H]1C[C@@H](NC(=O)c2ccsc2CC(=O)[O-])[C@@H]1OC ZINC000888097226 709212515 /nfs/dbraw/zinc/21/25/15/709212515.db2.gz FPIJRKWAWULNBK-BREBYQMCSA-N -1 0 313.375 1.297 50 0 DDAARM C[C@@]1(NC(=O)c2cnn3cccnc23)CCCC[C@@H]1C(=O)[O-] ZINC000262741752 539275927 /nfs/dbraw/zinc/27/59/27/539275927.db2.gz JDOZEBSTLFHQDJ-IAQYHMDHSA-N -1 0 302.334 1.493 50 0 DDAARM CC(C)(CCC(=O)NCCc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000095436093 185364815 /nfs/dbraw/zinc/36/48/15/185364815.db2.gz MKEUIOKDZSMMEM-UHFFFAOYSA-N -1 0 302.378 1.515 50 0 DDAARM CC1=NS(=O)(=O)N(Cc2ccc(F)cc2F)C=C1C(=O)[O-] ZINC000169760467 197751219 /nfs/dbraw/zinc/75/12/19/197751219.db2.gz LNZMHGRHWONIDG-UHFFFAOYSA-N -1 0 316.285 1.455 50 0 DDAARM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(N)=O ZINC000685940319 539564549 /nfs/dbraw/zinc/56/45/49/539564549.db2.gz DPGLSMSARUBURM-UHFFFAOYSA-N -1 0 304.393 1.088 50 0 DDAARM COc1ccccc1CCC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000072147850 191053711 /nfs/dbraw/zinc/05/37/11/191053711.db2.gz OASCEQWMYMWOQT-ZDUSSCGKSA-N -1 0 307.346 1.330 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCCNC(=O)Nc1ccccc1 ZINC000072400536 191151138 /nfs/dbraw/zinc/15/11/38/191151138.db2.gz UORPATOUVFRQBT-VXGBXAGGSA-N -1 0 319.361 1.281 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)c2ccsc2)CC1 ZINC000072426641 191160930 /nfs/dbraw/zinc/16/09/30/191160930.db2.gz QJSOCAHBIMSBRY-UHFFFAOYSA-N -1 0 305.359 1.661 50 0 DDAARM O=C([O-])C1=C(C(=O)NCc2ccc3c(c2)OCO3)CCCC1 ZINC000000153045 180710253 /nfs/dbraw/zinc/71/02/53/180710253.db2.gz GZFJNPHDIKTELK-UHFFFAOYSA-N -1 0 303.314 1.987 50 0 DDAARM O=C([O-])C1CCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)CC1 ZINC000491849838 234314377 /nfs/dbraw/zinc/31/43/77/234314377.db2.gz WPOPBKLQTDPPOD-RQOWECAXSA-N -1 0 317.341 1.794 50 0 DDAARM O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)N1CCOCC1 ZINC000004196649 181084077 /nfs/dbraw/zinc/08/40/77/181084077.db2.gz LMXOVKJTSRJKPB-LBPRGKRZSA-N -1 0 312.753 1.454 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1csc(C2CC2)n1 ZINC000157961518 354227686 /nfs/dbraw/zinc/22/76/86/354227686.db2.gz OQARNKBMFJISAS-MRVPVSSYSA-N -1 0 316.404 1.117 50 0 DDAARM CCc1ccccc1CC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000190746847 354286597 /nfs/dbraw/zinc/28/65/97/354286597.db2.gz CAEGCMSTIAYKGD-UHFFFAOYSA-N -1 0 322.386 1.901 50 0 DDAARM CC[C@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000004311812 181095991 /nfs/dbraw/zinc/09/59/91/181095991.db2.gz MOAARJNOMGZHCN-SECBINFHSA-N -1 0 314.363 1.164 50 0 DDAARM O=C([O-])CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1 ZINC000004503329 181116650 /nfs/dbraw/zinc/11/66/50/181116650.db2.gz LQYBBCQUTUGQDR-PKNBQFBNSA-N -1 0 318.285 1.234 50 0 DDAARM C[C@H](CC(=O)[O-])CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004682697 181136578 /nfs/dbraw/zinc/13/65/78/181136578.db2.gz VYKCNKPREQROIX-LBPRGKRZSA-N -1 0 308.353 1.975 50 0 DDAARM CCCc1nc(=N[C@H](c2cnn(C)c2)c2noc(C)n2)s[n-]1 ZINC000585134671 354811016 /nfs/dbraw/zinc/81/10/16/354811016.db2.gz FSEDDWQFHJPJFP-LLVKDONJSA-N -1 0 319.394 1.539 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc2n(n1)CCO2 ZINC000585134734 354812100 /nfs/dbraw/zinc/81/21/00/354812100.db2.gz HZVSOSLHVNKRBN-WCQGTBRESA-N -1 0 305.334 1.133 50 0 DDAARM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000236837877 202033294 /nfs/dbraw/zinc/03/32/94/202033294.db2.gz JKTCUPRWXCKUIV-MRVPVSSYSA-N -1 0 324.299 1.157 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCC=C2 ZINC000263482522 304078718 /nfs/dbraw/zinc/07/87/18/304078718.db2.gz AWJIWYDBDJOWTM-OAHLLOKOSA-N -1 0 301.342 1.962 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1c[nH]nc1C1CCCCC1 ZINC000072174602 304084912 /nfs/dbraw/zinc/08/49/12/304084912.db2.gz ILHHOWULMVEBQU-LBPRGKRZSA-N -1 0 321.377 1.773 50 0 DDAARM C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000237472265 202266445 /nfs/dbraw/zinc/26/64/45/202266445.db2.gz FNZKEUUFSAKEOH-IUCAKERBSA-N -1 0 310.737 1.282 50 0 DDAARM C[C@H](CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CC1)C(=O)[O-] ZINC000237617116 202306665 /nfs/dbraw/zinc/30/66/65/202306665.db2.gz FEHAPPKXQCXCIQ-VXGBXAGGSA-N -1 0 322.405 1.489 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000237657369 202319675 /nfs/dbraw/zinc/31/96/75/202319675.db2.gz DTMMSQGPEJBJOX-KRWDZBQOSA-N -1 0 316.357 1.750 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237804940 202360016 /nfs/dbraw/zinc/36/00/16/202360016.db2.gz WZIVCMISAYJAPM-CYBMUJFWSA-N -1 0 300.318 1.265 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCCO1 ZINC000237962094 202404150 /nfs/dbraw/zinc/40/41/50/202404150.db2.gz NPXPUMYYBKQPDS-GJZGRUSLSA-N -1 0 316.357 1.849 50 0 DDAARM COc1cc(OC)c(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1OC ZINC000243892727 202478038 /nfs/dbraw/zinc/47/80/38/202478038.db2.gz AJZNARXFXKBHRI-MSRIBSCDSA-N -1 0 321.329 1.115 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000020027760 304103367 /nfs/dbraw/zinc/10/33/67/304103367.db2.gz XJMYTOHXVWFXCG-ZDUSSCGKSA-N -1 0 300.314 1.607 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)N[C@H]1CCOc2ccccc21 ZINC000299743045 304114144 /nfs/dbraw/zinc/11/41/44/304114144.db2.gz JPDVQBZGFWTLHD-STQMWFEESA-N -1 0 304.346 1.175 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 ZINC000091293633 193032506 /nfs/dbraw/zinc/03/25/06/193032506.db2.gz GJTZGIYCLWDKOH-SECBINFHSA-N -1 0 315.728 1.724 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cccnc2)C1 ZINC000092037193 193144143 /nfs/dbraw/zinc/14/41/43/193144143.db2.gz FVNKHOGTCALKCV-INIZCTEOSA-N -1 0 306.362 1.354 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1ccccc1 ZINC000092037418 193144941 /nfs/dbraw/zinc/14/49/41/193144941.db2.gz TYLBMSGEPBTVNL-LSDHHAIUSA-N -1 0 303.358 1.740 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000262401485 304135712 /nfs/dbraw/zinc/13/57/12/304135712.db2.gz AUTMNDVBGLTDKZ-LBPRGKRZSA-N -1 0 308.721 1.747 50 0 DDAARM CCC[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)C(=O)[O-] ZINC000261831067 203128329 /nfs/dbraw/zinc/12/83/29/203128329.db2.gz BJHFREJKJGTIPW-GFCCVEGCSA-N -1 0 307.350 1.086 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000262535542 203321407 /nfs/dbraw/zinc/32/14/07/203321407.db2.gz UDRUTVGGZDWFMS-OWOJBTEDSA-N -1 0 307.321 1.667 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(OC)c2F)C1 ZINC000263057178 203432017 /nfs/dbraw/zinc/43/20/17/203432017.db2.gz QICGQHYECXCZLO-HNNXBMFYSA-N -1 0 311.309 1.398 50 0 DDAARM Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])c(C)o1 ZINC000095357456 193429389 /nfs/dbraw/zinc/42/93/89/193429389.db2.gz XVXWKWFJHKJKCP-GFCCVEGCSA-N -1 0 320.345 1.092 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000095363946 193433198 /nfs/dbraw/zinc/43/31/98/193433198.db2.gz AHIRBCCRSAWPNO-HNNXBMFYSA-N -1 0 313.357 1.868 50 0 DDAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000008610197 181568825 /nfs/dbraw/zinc/56/88/25/181568825.db2.gz RMVZHHRTQJUJIN-UHFFFAOYSA-N -1 0 323.374 1.706 50 0 DDAARM O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1cn(-c2ccccc2)nn1 ZINC000215287672 304163061 /nfs/dbraw/zinc/16/30/61/304163061.db2.gz LINBRXVWFKWOQJ-HNNXBMFYSA-N -1 0 324.344 1.174 50 0 DDAARM CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000013341218 181845325 /nfs/dbraw/zinc/84/53/25/181845325.db2.gz RZAVLYDYOJAJOT-CYBMUJFWSA-N -1 0 311.359 1.517 50 0 DDAARM CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000017185544 182079369 /nfs/dbraw/zinc/07/93/69/182079369.db2.gz BUPPIMABSWJPAR-WDZFZDKYSA-N -1 0 320.326 1.766 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000238051474 304179094 /nfs/dbraw/zinc/17/90/94/304179094.db2.gz GILOAJUYIAUQBW-CQSZACIVSA-N -1 0 316.357 1.893 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccccn1 ZINC000023711305 182366610 /nfs/dbraw/zinc/36/66/10/182366610.db2.gz LXKDNMDXQMAMAK-UHFFFAOYSA-N -1 0 319.386 1.426 50 0 DDAARM COc1cccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)c1OC ZINC000100647404 193802469 /nfs/dbraw/zinc/80/24/69/193802469.db2.gz TZEIFNMYGLSEMU-SNVBAGLBSA-N -1 0 302.290 1.279 50 0 DDAARM O=C([O-])CCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 ZINC000032917849 182680215 /nfs/dbraw/zinc/68/02/15/182680215.db2.gz NCVSCFRIKRANCX-UHFFFAOYSA-N -1 0 323.370 1.234 50 0 DDAARM COc1ccc(OC)c(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000035686137 182786846 /nfs/dbraw/zinc/78/68/46/182786846.db2.gz HSUVOTGSMQPCCT-GFCCVEGCSA-N -1 0 317.363 1.091 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1cc(Cl)ccc1Cl ZINC000299753190 304199595 /nfs/dbraw/zinc/19/95/95/304199595.db2.gz XEXQTFOVMWUYKS-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(Cl)sc1Cl ZINC000224779788 304200249 /nfs/dbraw/zinc/20/02/49/304200249.db2.gz ZGSIPBXXIFWNBI-ZCFIWIBFSA-N -1 0 310.158 1.981 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)cc1F ZINC000038602771 183003522 /nfs/dbraw/zinc/00/35/22/183003522.db2.gz BRWSFGYOLHOHLN-UHFFFAOYSA-N -1 0 303.340 1.795 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2F)c1 ZINC000041670457 183214284 /nfs/dbraw/zinc/21/42/84/183214284.db2.gz OXPWLYSHXLCAKU-UHFFFAOYSA-N -1 0 324.695 1.978 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)[N-]S(C)(=O)=O ZINC000042279730 183249993 /nfs/dbraw/zinc/24/99/93/183249993.db2.gz IYDMAUOYNIJFTP-UHFFFAOYSA-N -1 0 307.375 1.107 50 0 DDAARM CCCS(=O)(=O)N1CCC(n2cccc2C(=O)[O-])CC1 ZINC000054441716 183940266 /nfs/dbraw/zinc/94/02/66/183940266.db2.gz AIRQAHQRJZXLIK-UHFFFAOYSA-N -1 0 300.380 1.563 50 0 DDAARM Cc1cccc(OCCCCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268997484 207153819 /nfs/dbraw/zinc/15/38/19/207153819.db2.gz XEELMPKLPNOAEY-OAHLLOKOSA-N -1 0 321.373 1.856 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2csc(-c3cnccn3)n2)C1 ZINC000065386155 184333544 /nfs/dbraw/zinc/33/35/44/184333544.db2.gz SRXXPWNVPXMRPM-QMMMGPOBSA-N -1 0 304.331 1.033 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)n(C)n1 ZINC000066247733 184398222 /nfs/dbraw/zinc/39/82/22/184398222.db2.gz MBYLSNYIXQBBMN-UHFFFAOYSA-N -1 0 309.347 1.301 50 0 DDAARM Cn1nc(C(=O)Nc2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000000214983 406631085 /nfs/dbraw/zinc/63/10/85/406631085.db2.gz JSPPWDNAGCEJFZ-UHFFFAOYSA-N -1 0 303.274 1.142 50 0 DDAARM CCOc1ccc(Cc2nnc(SCC(=O)[O-])n2C)cc1 ZINC000002887834 406703821 /nfs/dbraw/zinc/70/38/21/406703821.db2.gz GXBYACHGZOKPMB-UHFFFAOYSA-N -1 0 307.375 1.981 50 0 DDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000001165300 406666860 /nfs/dbraw/zinc/66/68/60/406666860.db2.gz USSVRVIMYUITRL-UHFFFAOYSA-N -1 0 320.370 1.903 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000002884204 406704337 /nfs/dbraw/zinc/70/43/37/406704337.db2.gz UFXAITJBXLTQIQ-NSHDSACASA-N -1 0 313.375 1.489 50 0 DDAARM CC(=O)O[C@@H](c1nc2ccccc2s1)[C@H](OC(C)=O)C(=O)[O-] ZINC000002361813 406686608 /nfs/dbraw/zinc/68/66/08/406686608.db2.gz SDFBJNWQKYDBAL-NEPJUHHUSA-N -1 0 323.326 1.917 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000002571154 406691110 /nfs/dbraw/zinc/69/11/10/406691110.db2.gz ASKYUNKQJIMTOK-UWVGGRQHSA-N -1 0 303.236 1.922 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccnc1)c1cc(F)c(F)c(F)c1 ZINC000069705091 406759941 /nfs/dbraw/zinc/75/99/41/406759941.db2.gz RYCYFHFRBNOQOV-UHFFFAOYSA-N -1 0 316.260 1.618 50 0 DDAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000003269033 406716267 /nfs/dbraw/zinc/71/62/67/406716267.db2.gz LYHMMVJFPYHFMZ-SKDRFNHKSA-N -1 0 301.364 1.473 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cc(C(N)=O)ccc1Cl ZINC000071287560 406836948 /nfs/dbraw/zinc/83/69/48/406836948.db2.gz CFFJYCVUTYAVPH-UWVGGRQHSA-N -1 0 310.737 1.734 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000013427181 406860862 /nfs/dbraw/zinc/86/08/62/406860862.db2.gz BYGYYWWTYMQTPN-ZDUSSCGKSA-N -1 0 316.313 1.742 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1cccc(C)c1)C(=O)[O-] ZINC000036293802 406978281 /nfs/dbraw/zinc/97/82/81/406978281.db2.gz HONSGGYAQAWECA-NSHDSACASA-N -1 0 303.405 1.480 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1-n1cnnn1 ZINC000028260913 406917508 /nfs/dbraw/zinc/91/75/08/406917508.db2.gz NTBRPEHBXQCZQE-UHFFFAOYSA-N -1 0 321.387 1.833 50 0 DDAARM CCC[C@@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000036339975 406979458 /nfs/dbraw/zinc/97/94/58/406979458.db2.gz PBCYKQNFNCIIFK-CYBMUJFWSA-N -1 0 319.354 1.756 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000033528564 406961500 /nfs/dbraw/zinc/96/15/00/406961500.db2.gz SCFAIJDLVZQJNW-VPUINMBXSA-N -1 0 315.416 1.783 50 0 DDAARM COc1cc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])on1 ZINC000096231904 407253791 /nfs/dbraw/zinc/25/37/91/407253791.db2.gz OSFQLVRGTUHKTM-ZDUSSCGKSA-N -1 0 318.329 1.428 50 0 DDAARM Cc1nc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccn2n1 ZINC000065283967 407242412 /nfs/dbraw/zinc/24/24/12/407242412.db2.gz TWLAQXVYSVMEHO-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O ZINC000252523227 286792822 /nfs/dbraw/zinc/79/28/22/286792822.db2.gz CCCFZDZVGIJSFH-ZWNOBZJWSA-N -1 0 320.393 1.199 50 0 DDAARM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1n[nH]c(=O)[n-]1 ZINC000096439213 407266986 /nfs/dbraw/zinc/26/69/86/407266986.db2.gz AWOLRRAYHPLNEW-VIFPVBQESA-N -1 0 321.768 1.150 50 0 DDAARM CCN(CC)C(=O)CCNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000097112459 407281063 /nfs/dbraw/zinc/28/10/63/407281063.db2.gz HNVHJMQUIUUJJI-UHFFFAOYSA-N -1 0 318.295 1.798 50 0 DDAARM Cc1ccc([C@H](NC(=O)Cc2n[nH]c(=O)[n-]2)c2ccncc2)cc1 ZINC000067841939 407286480 /nfs/dbraw/zinc/28/64/80/407286480.db2.gz MVZFGWAIAFKOQF-INIZCTEOSA-N -1 0 323.356 1.250 50 0 DDAARM CNc1ccc(C)cc1C(=O)N[C@@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067868340 407288484 /nfs/dbraw/zinc/28/84/84/407288484.db2.gz ZZWLIFOTPNJANP-CQSZACIVSA-N -1 0 316.361 1.932 50 0 DDAARM C=CCOc1ccc(C=NNc2nnc(C)c(=O)[n-]2)cc1OC ZINC000254833523 407466474 /nfs/dbraw/zinc/46/64/74/407466474.db2.gz HYQOHFWZNAMPPZ-UHFFFAOYSA-N -1 0 315.333 1.905 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccccc2Br)C1 ZINC000237950714 407854918 /nfs/dbraw/zinc/85/49/18/407854918.db2.gz ICVXWMIIQRIEQF-SNVBAGLBSA-N -1 0 312.163 1.925 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000238095315 407891126 /nfs/dbraw/zinc/89/11/26/407891126.db2.gz OCTLKTUTHHBMPK-JTQLQIEISA-N -1 0 303.293 1.763 50 0 DDAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000238116485 407893809 /nfs/dbraw/zinc/89/38/09/407893809.db2.gz UMQFNWRQYYRHSG-GWCFXTLKSA-N -1 0 300.314 1.924 50 0 DDAARM COc1ccccc1OCCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262921298 407969951 /nfs/dbraw/zinc/96/99/51/407969951.db2.gz GWKIYNVORSPGSD-GFCCVEGCSA-N -1 0 307.346 1.930 50 0 DDAARM Cc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1-n1cncn1 ZINC000262781511 407928140 /nfs/dbraw/zinc/92/81/40/407928140.db2.gz NJGKTRGCEZWUSR-HNNXBMFYSA-N -1 0 318.308 1.215 50 0 DDAARM CO[N-]C(=O)C(=O)Nc1cc(C)n(-c2cc(C)cc(C)c2)n1 ZINC000134769287 407935627 /nfs/dbraw/zinc/93/56/27/407935627.db2.gz NLGYOYCQGGHBKV-UHFFFAOYSA-N -1 0 302.334 1.414 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2csc([C@H]3CCCO3)n2)n1 ZINC000262796829 407936232 /nfs/dbraw/zinc/93/62/32/407936232.db2.gz QVALTMBNBARZEJ-SECBINFHSA-N -1 0 322.346 1.528 50 0 DDAARM C[C@@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000136163941 408081721 /nfs/dbraw/zinc/08/17/21/408081721.db2.gz SJURLJJFSCAFMH-WCQYABFASA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000136154152 408083481 /nfs/dbraw/zinc/08/34/81/408083481.db2.gz JDJVLJTZHNGPKG-VIFPVBQESA-N -1 0 318.304 1.604 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000136506444 408109964 /nfs/dbraw/zinc/10/99/64/408109964.db2.gz SWYBOOOZDGGSNK-CYBMUJFWSA-N -1 0 318.308 1.486 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC(Cn3ccnn3)CC2)cc1 ZINC000263436320 408138761 /nfs/dbraw/zinc/13/87/61/408138761.db2.gz ORQAZYMDOGUJLW-UHFFFAOYSA-N -1 0 314.345 1.529 50 0 DDAARM C[C@@]1(C(=O)NCc2cccc(OCC(=O)[O-])c2)CCCOC1 ZINC000263528374 408164450 /nfs/dbraw/zinc/16/44/50/408164450.db2.gz LEYRCHZHUDYLGR-MRXNPFEDSA-N -1 0 307.346 1.583 50 0 DDAARM COc1cccc(OC)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269418331 408301200 /nfs/dbraw/zinc/30/12/00/408301200.db2.gz YVHHKTRVAQOFNW-JTQLQIEISA-N -1 0 309.318 1.020 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc3c(c2)OCCCO3)C1 ZINC000263362075 163957094 /nfs/dbraw/zinc/95/70/94/163957094.db2.gz YRTMQJPWFCINBW-QWHCGFSZSA-N -1 0 319.357 1.965 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C3CC3)n(C)n2)c1C ZINC000290519024 409429012 /nfs/dbraw/zinc/42/90/12/409429012.db2.gz MQKMUSWEOGRQQS-UHFFFAOYSA-N -1 0 323.422 1.932 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000337670499 410931545 /nfs/dbraw/zinc/93/15/45/410931545.db2.gz UHQHSBSVMWPPLW-ZDUSSCGKSA-N -1 0 319.357 1.714 50 0 DDAARM CCc1noc(CCNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1 ZINC000426562885 419506332 /nfs/dbraw/zinc/50/63/32/419506332.db2.gz LTFBNEYPIDKMLQ-UHFFFAOYSA-N -1 0 306.322 1.248 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)COCCOc2ccccc2)C1 ZINC000299744642 229384751 /nfs/dbraw/zinc/38/47/51/229384751.db2.gz PPOORGKQKWCDTI-INIZCTEOSA-N -1 0 307.346 1.405 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492853771 420686644 /nfs/dbraw/zinc/68/66/44/420686644.db2.gz OSNZJJMBRNDAJA-XQRVVYSFSA-N -1 0 305.330 1.793 50 0 DDAARM Cc1cc([C@H](NC(=O)CN2CCCCC2=O)C(=O)[O-])ccc1F ZINC000630189302 421946614 /nfs/dbraw/zinc/94/66/14/421946614.db2.gz KVDYUOJSDPERJB-HNNXBMFYSA-N -1 0 322.336 1.389 50 0 DDAARM COc1cccc([C@H](NC(=O)[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)C(=O)[O-])c1 ZINC000630205664 421958361 /nfs/dbraw/zinc/95/83/61/421958361.db2.gz JZUFHFJCJQBDFE-SHTIJGAHSA-N -1 0 321.373 1.997 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000033450699 263253120 /nfs/dbraw/zinc/25/31/20/263253120.db2.gz RRBGEHBXIMMUJP-TXNVCOODSA-N -1 0 303.314 1.547 50 0 DDAARM COc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])nn1 ZINC000268947076 295094081 /nfs/dbraw/zinc/09/40/81/295094081.db2.gz NKFSFFGATYOYQO-CYBMUJFWSA-N -1 0 313.313 1.137 50 0 DDAARM C[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000136163904 298290732 /nfs/dbraw/zinc/29/07/32/298290732.db2.gz SJURLJJFSCAFMH-YPMHNXCESA-N -1 0 310.394 1.395 50 0 DDAARM Cc1ccc(Cl)cc1S(=O)(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088376975 301601071 /nfs/dbraw/zinc/60/10/71/301601071.db2.gz TUSOUCPDBUQAOH-JTQLQIEISA-N -1 0 319.766 1.123 50 0 DDAARM CC(C)Cc1nc(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])no1 ZINC000534630514 334307480 /nfs/dbraw/zinc/30/74/80/334307480.db2.gz VXDUBJZFAVJAJM-LLVKDONJSA-N -1 0 305.338 1.003 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1ccncc1 ZINC000091644566 484015718 /nfs/dbraw/zinc/01/57/18/484015718.db2.gz SCIATRSNEYRORL-UONOGXRCSA-N -1 0 303.362 1.834 50 0 DDAARM CCc1cc2c(ncnc2N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)s1 ZINC000662895836 484526597 /nfs/dbraw/zinc/52/65/97/484526597.db2.gz HNLRRBMRKSTVJN-ONOSFVFSSA-N -1 0 307.375 1.890 50 0 DDAARM COc1ccccc1C[C@@H](C)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299749658 534099006 /nfs/dbraw/zinc/09/90/06/534099006.db2.gz LEZRLEFNTXAZKO-DOMZBBRYSA-N -1 0 321.373 1.576 50 0 DDAARM CC(C)[C@@H](C(=O)N(C)CCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000299752544 528349169 /nfs/dbraw/zinc/34/91/69/528349169.db2.gz UNTGKTOEEVZOTR-SCRDCRAPSA-N -1 0 300.399 1.053 50 0 DDAARM CCOc1ccccc1CCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299742462 528714884 /nfs/dbraw/zinc/71/48/84/528714884.db2.gz JJJLXHSRBOQMIZ-ZDUSSCGKSA-N -1 0 307.346 1.330 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000299748229 529355088 /nfs/dbraw/zinc/35/50/88/529355088.db2.gz GMZOMVCTKZDMOC-MRXNPFEDSA-N -1 0 323.345 1.840 50 0 DDAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc([S@](=O)[O-])cc2)C1 ZINC000675059209 563910287 /nfs/dbraw/zinc/91/02/87/563910287.db2.gz DDKVKARIFRJMMK-GHMZBOCLSA-N -1 0 317.432 1.934 50 0 DDAARM COc1ccc(CN(Cc2cn(CC(=O)[O-])nn2)C2CC2)cc1 ZINC000846232024 703254345 /nfs/dbraw/zinc/25/43/45/703254345.db2.gz NMVHUUPNYHLODC-UHFFFAOYSA-N -1 0 316.361 1.536 50 0 DDAARM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1sc(OC)nc1C ZINC000888099161 709213124 /nfs/dbraw/zinc/21/31/24/709213124.db2.gz AWSJKUFVRYXBCL-ZETCQYMHSA-N -1 0 306.409 1.701 50 0 DDAARM O=S(=O)(c1cc(F)ccc1[O-])N1CC[C@@]2(CCOC2)C1 ZINC000952992695 721533819 /nfs/dbraw/zinc/53/38/19/721533819.db2.gz RHVZVFAIODGWRW-CYBMUJFWSA-N -1 0 301.339 1.332 50 0 DDAARM CO[C@H]1COC[C@@H]1NS(=O)(=O)Cc1cc(F)ccc1Cl ZINC000824506539 759187191 /nfs/dbraw/zinc/18/71/91/759187191.db2.gz HTTMPSIUNCPCEZ-RYUDHWBXSA-N -1 0 323.773 1.312 50 0 DDAARM CCc1ccc([C@H](COC)[N-]S(=O)(=O)N=S(C)(C)=O)o1 ZINC000585086203 771934440 /nfs/dbraw/zinc/93/44/40/771934440.db2.gz DLNKKDAKDWDMGT-JTQLQIEISA-N -1 0 324.424 1.092 50 0 DDAARM CC(C)OCC(=O)n1[n-]c(=O)c2cc(Br)cnc21 ZINC000585124963 771956034 /nfs/dbraw/zinc/95/60/34/771956034.db2.gz BHZKCTWIBASTCO-UHFFFAOYSA-N -1 0 314.139 1.965 50 0 DDAARM CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000585131301 771964257 /nfs/dbraw/zinc/96/42/57/771964257.db2.gz RARVRPFRMXAXCT-LSDHHAIUSA-N -1 0 322.361 1.014 50 0 DDAARM O=C([O-])c1cccc(Nc2ccnc(N3CCOCC3)n2)c1 ZINC000096693840 185385635 /nfs/dbraw/zinc/38/56/35/185385635.db2.gz OELAFDKTBKNXEJ-UHFFFAOYSA-N -1 0 300.318 1.755 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000263560005 539276187 /nfs/dbraw/zinc/27/61/87/539276187.db2.gz QSMBVJUHSDSKIV-NSHDSACASA-N -1 0 310.781 1.705 50 0 DDAARM C[C@@](NC(=O)[C@H]1CCn2ccnc2C1)(C(=O)[O-])c1ccccc1 ZINC000623177905 365700058 /nfs/dbraw/zinc/70/00/58/365700058.db2.gz VGVVTKDWPOOMPK-SJCJKPOMSA-N -1 0 313.357 1.562 50 0 DDAARM CN(Cc1ccc2nsnc2c1)c1ncncc1CC(=O)[O-] ZINC000095392152 185351880 /nfs/dbraw/zinc/35/18/80/185351880.db2.gz HZENKICKGAIVGM-UHFFFAOYSA-N -1 0 315.358 1.745 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000225460281 201713532 /nfs/dbraw/zinc/71/35/32/201713532.db2.gz SEGHAVUDRIFSTR-UHFFFAOYSA-N -1 0 319.361 1.838 50 0 DDAARM C[C@H](CC(=O)[O-])NC(=O)Cc1ccc(Br)cc1 ZINC000036966858 190664376 /nfs/dbraw/zinc/66/43/76/190664376.db2.gz OAXWHHMCNXFYLQ-MRVPVSSYSA-N -1 0 300.152 1.971 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000236691172 201966980 /nfs/dbraw/zinc/96/69/80/201966980.db2.gz XYWYZLOHFTVYIL-UHFFFAOYSA-N -1 0 318.373 1.996 50 0 DDAARM Cc1cccc(CN2CCn3nc(CCC(=O)[O-])cc3C2)n1 ZINC000072134595 191047052 /nfs/dbraw/zinc/04/70/52/191047052.db2.gz FJMHZNBMYBLJIU-UHFFFAOYSA-N -1 0 300.362 1.620 50 0 DDAARM CCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)[nH]n1 ZINC000262902831 186322151 /nfs/dbraw/zinc/32/21/51/186322151.db2.gz DAWQXYJSOHPWIW-CQSZACIVSA-N -1 0 315.329 1.463 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3ncoc3C)CC2)c1 ZINC000072418357 191156833 /nfs/dbraw/zinc/15/68/33/191156833.db2.gz ZOIGUGDGAOKFOV-UHFFFAOYSA-N -1 0 318.333 1.204 50 0 DDAARM COc1nccnc1N1CCC(C(=O)[O-])(n2ccnc2C)CC1 ZINC000072428257 191162063 /nfs/dbraw/zinc/16/20/63/191162063.db2.gz UVULABIFECNSTL-UHFFFAOYSA-N -1 0 317.349 1.070 50 0 DDAARM C[C@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)[O-] ZINC000005240279 299200339 /nfs/dbraw/zinc/20/03/39/299200339.db2.gz IUXPMHYMBNZBSO-QMMMGPOBSA-N -1 0 311.315 1.014 50 0 DDAARM O=C([O-])CCCCCNC(=O)Cn1cnc2ccccc2c1=O ZINC000002328599 180919703 /nfs/dbraw/zinc/91/97/03/180919703.db2.gz WWNBXUIWSKHGIO-UHFFFAOYSA-N -1 0 317.345 1.158 50 0 DDAARM COc1cccc(-c2ccc(CNC(=O)c3n[nH]c(=O)[n-]3)cc2)c1 ZINC000078947230 353542525 /nfs/dbraw/zinc/54/25/25/353542525.db2.gz UKAAJSNKAGRHDE-UHFFFAOYSA-N -1 0 324.340 1.704 50 0 DDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccco1 ZINC000003510866 181028432 /nfs/dbraw/zinc/02/84/32/181028432.db2.gz DNCPAGONCBFEAW-UHFFFAOYSA-N -1 0 303.270 1.402 50 0 DDAARM COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)c1 ZINC000003881810 181052421 /nfs/dbraw/zinc/05/24/21/181052421.db2.gz WDXKXEGGFYAZRU-BRXULGCHSA-N -1 0 301.298 1.066 50 0 biogenic DDAARM COc1cccc2cc(C(=O)N(C)C[C@@H](C)c3nnn[n-]3)oc21 ZINC000123981671 354036031 /nfs/dbraw/zinc/03/60/31/354036031.db2.gz ZVGNLSDAVKCIDE-SECBINFHSA-N -1 0 315.333 1.830 50 0 DDAARM COc1ccc(OC)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000004960988 181179858 /nfs/dbraw/zinc/17/98/58/181179858.db2.gz LPIGDIWKPNCLFK-UHFFFAOYSA-N -1 0 303.274 1.444 50 0 DDAARM C[C@@H](O)[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000005054972 181198146 /nfs/dbraw/zinc/19/81/46/181198146.db2.gz DLDAZCLCBBIQGQ-HQJQHLMTSA-N -1 0 307.375 1.816 50 0 DDAARM CC[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000237059855 202139917 /nfs/dbraw/zinc/13/99/17/202139917.db2.gz LWHXRRRRGNLRLJ-ZDUSSCGKSA-N -1 0 304.346 1.402 50 0 DDAARM O=C([O-])CN1C(=O)CN(c2ccc(Br)cc2)C1=O ZINC000004949302 304066843 /nfs/dbraw/zinc/06/68/43/304066843.db2.gz NGPGKQDGXCXXGM-UHFFFAOYSA-N -1 0 313.107 1.302 50 0 DDAARM C[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237411140 202258525 /nfs/dbraw/zinc/25/85/25/202258525.db2.gz IQYCAIWOYCXGAV-IINYFYTJSA-N -1 0 303.314 1.848 50 0 DDAARM C[C@H](OCC1CC1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237566872 202286839 /nfs/dbraw/zinc/28/68/39/202286839.db2.gz XVPNJHTWUFDPCA-NHYWBVRUSA-N -1 0 303.358 1.840 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CCCC[C@H]3C(=O)[O-])cs2)cn1 ZINC000237715413 202337221 /nfs/dbraw/zinc/33/72/21/202337221.db2.gz CIFMNFMUARZRJI-NSHDSACASA-N -1 0 320.374 1.623 50 0 DDAARM Cn1cc(CCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cn1 ZINC000237769769 202351285 /nfs/dbraw/zinc/35/12/85/202351285.db2.gz FELSYMVIUFTKNH-AWEZNQCLSA-N -1 0 301.346 1.685 50 0 DDAARM Cc1ccc(-c2nc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cs2)o1 ZINC000237748058 202346326 /nfs/dbraw/zinc/34/63/26/202346326.db2.gz HORYYPWAUSSTLB-LLVKDONJSA-N -1 0 322.342 1.637 50 0 DDAARM O=C([O-])COCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000006715121 181376171 /nfs/dbraw/zinc/37/61/71/181376171.db2.gz FUFYNWWOZXEYEW-UHFFFAOYSA-N -1 0 312.753 1.090 50 0 DDAARM CN(C)S(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000091951018 193131321 /nfs/dbraw/zinc/13/13/21/193131321.db2.gz HSNKYIPGFRAOQZ-GFCCVEGCSA-N -1 0 312.391 1.056 50 0 DDAARM Cn1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)cn1 ZINC000092065137 193150632 /nfs/dbraw/zinc/15/06/32/193150632.db2.gz GGVAQLXEUNKICF-UONOGXRCSA-N -1 0 317.320 1.500 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000263269089 304135135 /nfs/dbraw/zinc/13/51/35/304135135.db2.gz LPPOWJNZVPEGCD-ZQIUZPCESA-N -1 0 301.342 1.203 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COC[C@@H]1CCCO1 ZINC000299752665 304140866 /nfs/dbraw/zinc/14/08/66/304140866.db2.gz UXEWCIGSMZAZPF-XUXIUFHCSA-N -1 0 311.378 1.426 50 0 DDAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262097745 203198024 /nfs/dbraw/zinc/19/80/24/203198024.db2.gz IOAZFZSUBLBGQH-GXFFZTMASA-N -1 0 311.309 1.295 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cn(Cc2cccc(F)c2)nn1 ZINC000262710714 203389856 /nfs/dbraw/zinc/38/98/56/203389856.db2.gz PIKRXGDFJYFTQP-ZDUSSCGKSA-N -1 0 318.308 1.155 50 0 DDAARM Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])ccc1-n1cncn1 ZINC000263446668 203469037 /nfs/dbraw/zinc/46/90/37/203469037.db2.gz NJSYPZOBKZGICZ-MRXNPFEDSA-N -1 0 314.345 1.655 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000013249185 181838740 /nfs/dbraw/zinc/83/87/40/181838740.db2.gz MECMQLWVVHXMPU-OLZOCXBDSA-N -1 0 302.330 1.652 50 0 DDAARM O=C([O-])CN1C(=O)c2ccc(NC(=O)c3ccccc3)cc2C1=O ZINC000013955225 181915266 /nfs/dbraw/zinc/91/52/66/181915266.db2.gz VUDVVWIYDDKZKS-UHFFFAOYSA-N -1 0 324.292 1.620 50 0 DDAARM COCCN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019880929 182159993 /nfs/dbraw/zinc/15/99/93/182159993.db2.gz MZSAUQGHCKUWFF-LLVKDONJSA-N -1 0 309.343 1.251 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000020200539 182196712 /nfs/dbraw/zinc/19/67/12/182196712.db2.gz OXQNEWUYJCSWHN-UHFFFAOYSA-N -1 0 317.794 1.966 50 0 DDAARM CC(=O)N(C)c1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020614735 182239690 /nfs/dbraw/zinc/23/96/90/182239690.db2.gz WEJJISVDBRKRMS-UHFFFAOYSA-N -1 0 316.317 1.353 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3ccno3)cc2)c1 ZINC000021030664 182262516 /nfs/dbraw/zinc/26/25/16/182262516.db2.gz CTPHKPBNWQEHQT-UHFFFAOYSA-N -1 0 304.331 1.876 50 0 DDAARM CC1=C(c2ccc(C)c(C)c2)S(=O)(=O)N(CC(=O)[O-])C1=O ZINC000021781693 182288296 /nfs/dbraw/zinc/28/82/96/182288296.db2.gz UPRPGDVOASTZKK-UHFFFAOYSA-N -1 0 309.343 1.291 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000013260842 304183486 /nfs/dbraw/zinc/18/34/86/304183486.db2.gz FCCXZBMVPHRHCG-LBPRGKRZSA-N -1 0 305.330 1.785 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1 ZINC000025369244 182410683 /nfs/dbraw/zinc/41/06/83/182410683.db2.gz PFHDKINGTYOLRA-UHFFFAOYSA-N -1 0 323.374 1.794 50 0 DDAARM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000108654815 304189667 /nfs/dbraw/zinc/18/96/67/304189667.db2.gz ZIBKHZJLVZZJSF-STQMWFEESA-N -1 0 318.377 1.016 50 0 DDAARM C[C@](NS(=O)(=O)c1ccc2c(c1)CCC2)(C(=O)[O-])C1CC1 ZINC000037367435 182883950 /nfs/dbraw/zinc/88/39/50/182883950.db2.gz QQVNNIPUMFVVAA-OAHLLOKOSA-N -1 0 309.387 1.707 50 0 DDAARM CC(C)Oc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675200 193834449 /nfs/dbraw/zinc/83/44/49/193834449.db2.gz RVRUEGLXMDBXGL-NSHDSACASA-N -1 0 301.306 1.444 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000262085549 304199286 /nfs/dbraw/zinc/19/92/86/304199286.db2.gz HLANQEFURRQINY-GFCCVEGCSA-N -1 0 323.732 1.428 50 0 DDAARM C[C@@H](OCc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000268932528 207096909 /nfs/dbraw/zinc/09/69/09/207096909.db2.gz AUJMVVXFIFPGCO-TZMCWYRMSA-N -1 0 307.346 1.294 50 0 DDAARM CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268956218 207122215 /nfs/dbraw/zinc/12/22/15/207122215.db2.gz VEVXIZZQUXWMLH-RITPCOANSA-N -1 0 308.281 1.841 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000268958009 207122513 /nfs/dbraw/zinc/12/25/13/207122513.db2.gz ZJDCNHAWEKHLOG-GFCCVEGCSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000269079789 207225060 /nfs/dbraw/zinc/22/50/60/207225060.db2.gz FEITXMFYJMWRDY-RWMBFGLXSA-N -1 0 317.341 1.637 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2csc(C)n2)cc1 ZINC000065643309 184375933 /nfs/dbraw/zinc/37/59/33/184375933.db2.gz XKTBAWDXJXBRQF-UHFFFAOYSA-N -1 0 324.383 1.773 50 0 DDAARM O=C([O-])[C@@H](NC(=O)Cc1cn2ccsc2n1)c1ccccc1 ZINC000237999479 256600117 /nfs/dbraw/zinc/60/01/17/256600117.db2.gz GPXZJJYCCAKCRM-ZDUSSCGKSA-N -1 0 315.354 1.880 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000342525479 257237027 /nfs/dbraw/zinc/23/70/27/257237027.db2.gz MTHOFXWHGFVKEF-LLVKDONJSA-N -1 0 304.346 1.354 50 0 DDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1cnn2c1nc(C)cc2C ZINC000122121286 195405778 /nfs/dbraw/zinc/40/57/78/195405778.db2.gz APQCJCSYVZCKJG-LLVKDONJSA-N -1 0 304.350 1.719 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)Cn1nnc(-c2ccccc2)n1 ZINC000000257232 406636226 /nfs/dbraw/zinc/63/62/26/406636226.db2.gz TYNUJHFJHWQSRF-UHFFFAOYSA-N -1 0 323.312 1.677 50 0 DDAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000101878 406619789 /nfs/dbraw/zinc/61/97/89/406619789.db2.gz BNPCYMBLUPRCDN-UHFFFAOYSA-N -1 0 306.347 1.626 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000000087730 406620136 /nfs/dbraw/zinc/62/01/36/406620136.db2.gz NQNOZBXLAORQQT-NSHDSACASA-N -1 0 311.384 1.722 50 0 DDAARM O=C([O-])[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000166174 406626177 /nfs/dbraw/zinc/62/61/77/406626177.db2.gz RDYJUVZFLCNBPH-CYBMUJFWSA-N -1 0 309.318 1.930 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000000205258 406631391 /nfs/dbraw/zinc/63/13/91/406631391.db2.gz FFFNGXGWKIDRLJ-KBPBESRZSA-N -1 0 315.373 1.397 50 0 DDAARM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000204344 406632046 /nfs/dbraw/zinc/63/20/46/406632046.db2.gz UBWGKESGQORLBW-UHFFFAOYSA-N -1 0 308.319 1.456 50 0 DDAARM CC(=O)Nc1nc(NC(=O)CCC(=O)[O-])n(-c2ccccc2)n1 ZINC000000550909 406655997 /nfs/dbraw/zinc/65/59/97/406655997.db2.gz BCYIIHJHKURZCX-UHFFFAOYSA-N -1 0 317.305 1.029 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000001576101 406673235 /nfs/dbraw/zinc/67/32/35/406673235.db2.gz RWAYODJQGJVQGX-RISCZKNCSA-N -1 0 322.361 1.528 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000001795928 406677713 /nfs/dbraw/zinc/67/77/13/406677713.db2.gz JYLONKSMICIFOZ-VIFPVBQESA-N -1 0 307.368 1.310 50 0 DDAARM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3O)cc2o1 ZINC000002236235 406685544 /nfs/dbraw/zinc/68/55/44/406685544.db2.gz SMSYYPSERGJZOK-UHFFFAOYSA-N -1 0 306.299 1.628 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000069699544 406757787 /nfs/dbraw/zinc/75/77/87/406757787.db2.gz UUPLVLSHFQCHGI-LBPRGKRZSA-N -1 0 301.339 1.454 50 0 DDAARM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCCCC3)nc(=O)c12 ZINC000008215829 406781070 /nfs/dbraw/zinc/78/10/70/406781070.db2.gz UTDOCZHAVKAXKG-UHFFFAOYSA-N -1 0 307.375 1.977 50 0 DDAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](C)C(=O)[O-])cc2oc1=O ZINC000011866800 406832507 /nfs/dbraw/zinc/83/25/07/406832507.db2.gz IOZTWTWYWNPNFR-JTQLQIEISA-N -1 0 319.313 1.378 50 0 DDAARM Cc1ccc(C)c(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)c1 ZINC000022584966 406889973 /nfs/dbraw/zinc/88/99/73/406889973.db2.gz YIEUUQKUWPEFQC-OAHLLOKOSA-N -1 0 319.405 1.333 50 0 DDAARM CC1(C)[C@H](C(=O)N2CCN(c3ccccn3)CC2)[C@@H]1C(=O)[O-] ZINC000034926338 406965629 /nfs/dbraw/zinc/96/56/29/406965629.db2.gz WROYMWVTBFJMGA-QWHCGFSZSA-N -1 0 303.362 1.087 50 0 DDAARM COc1ccc(CNC(=O)c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000033254944 406960871 /nfs/dbraw/zinc/96/08/71/406960871.db2.gz ZLRDCVZDUWJENL-UHFFFAOYSA-N -1 0 312.329 1.270 50 0 DDAARM O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000044917283 407033809 /nfs/dbraw/zinc/03/38/09/407033809.db2.gz JOSSABSIHDAZNC-SECBINFHSA-N -1 0 305.359 1.121 50 0 DDAARM Cc1cc(C(=O)Nc2ccc(-n3ccc(C(=O)[O-])n3)cc2)n[nH]1 ZINC000089598921 407140762 /nfs/dbraw/zinc/14/07/62/407140762.db2.gz MCUFOBKLJBHLLA-UHFFFAOYSA-N -1 0 311.301 1.854 50 0 DDAARM COCCn1c(C(=O)NC[C@H](C)C(=O)[O-])cc2ccccc21 ZINC000089901202 407157480 /nfs/dbraw/zinc/15/74/80/407157480.db2.gz JGLXPABZVAEERV-NSHDSACASA-N -1 0 304.346 1.738 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCn2ccnc2)C1 ZINC000092028686 407186531 /nfs/dbraw/zinc/18/65/31/407186531.db2.gz IBKJOBMTLZJFLC-INIZCTEOSA-N -1 0 323.393 1.393 50 0 DDAARM CCN(CC)C(=O)[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095356725 407207764 /nfs/dbraw/zinc/20/77/64/407207764.db2.gz UKPOWYHZDCJHRZ-LLVKDONJSA-N -1 0 306.366 1.260 50 0 DDAARM CN(C)S(=O)(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095380397 407211632 /nfs/dbraw/zinc/21/16/32/407211632.db2.gz YRZGNFMYCUXGHE-ZDUSSCGKSA-N -1 0 312.391 1.371 50 0 DDAARM O=S(=O)(Cc1csc(-c2cccs2)n1)c1cnn[n-]1 ZINC000095972474 407218621 /nfs/dbraw/zinc/21/86/21/407218621.db2.gz IDSLSHDXRLIRDE-UHFFFAOYSA-N -1 0 312.401 1.964 50 0 DDAARM CC[C@](C)(NC(=O)c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000095969986 407218729 /nfs/dbraw/zinc/21/87/29/407218729.db2.gz RECCKHXDFDJLBZ-HNNXBMFYSA-N -1 0 309.318 1.450 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C2 ZINC000095970480 407218858 /nfs/dbraw/zinc/21/88/58/407218858.db2.gz URGQRUQGXJMFJA-ZYHUDNBSSA-N -1 0 307.346 1.425 50 0 DDAARM CC[C@](C)(CO)NC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000097237953 407289186 /nfs/dbraw/zinc/28/91/86/407289186.db2.gz MDQGBNDOYYJQDJ-OAHLLOKOSA-N -1 0 307.325 1.608 50 0 DDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000101038096 407308733 /nfs/dbraw/zinc/30/87/33/407308733.db2.gz FXDAKYBSAFPBBE-BUHFOSPRSA-N -1 0 313.357 1.681 50 0 DDAARM C[C@@H]1c2ccccc2O[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649825 407464267 /nfs/dbraw/zinc/46/42/67/407464267.db2.gz HNIJVDFZZGYEIK-NOZJJQNGSA-N -1 0 322.342 1.185 50 0 DDAARM CC(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])nn1C ZINC000195542639 407465373 /nfs/dbraw/zinc/46/53/73/407465373.db2.gz MOYXTPXXUGNLGN-AWEZNQCLSA-N -1 0 315.373 1.969 50 0 DDAARM COc1ccc(CN2CC[NH+](CCCC(=O)[O-])CC2)cc1F ZINC000116348773 407747213 /nfs/dbraw/zinc/74/72/13/407747213.db2.gz OIOREXGBRQYHKU-UHFFFAOYSA-N -1 0 310.369 1.817 50 0 DDAARM Cn1cc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c2ccccc21 ZINC000237763294 407840805 /nfs/dbraw/zinc/84/08/05/407840805.db2.gz QTYLTAPXWKYDID-ZDUSSCGKSA-N -1 0 316.357 1.423 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 ZINC000238095084 407888791 /nfs/dbraw/zinc/88/87/91/407888791.db2.gz POMHLYXFFPFIHD-UZYOAWRESA-N -1 0 311.341 1.819 50 0 DDAARM COc1ccc([C@@H](NC(=O)[C@H]2CCCOC2)C(=O)[O-])cc1F ZINC000263177397 408048446 /nfs/dbraw/zinc/04/84/46/408048446.db2.gz WSCOXBKELZODEU-GXFFZTMASA-N -1 0 311.309 1.503 50 0 DDAARM C[C@H](c1cccc(F)c1)N1CCN(C(=O)[C@H](C)C(=O)[O-])CC1 ZINC000263560851 408176060 /nfs/dbraw/zinc/17/60/60/408176060.db2.gz RJZROFUVGROTDC-NWDGAFQWSA-N -1 0 308.353 1.752 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1csc2ccccc12 ZINC000262093013 163766154 /nfs/dbraw/zinc/76/61/54/163766154.db2.gz GQMPFZWQMYLNNE-LBPRGKRZSA-N -1 0 305.355 1.756 50 0 DDAARM CCOc1ccccc1/C=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000314932507 409833349 /nfs/dbraw/zinc/83/33/49/409833349.db2.gz KWCNJYGKUBTWEC-WBTMPAOCSA-N -1 0 305.330 1.411 50 0 DDAARM C[C@@H]1CN(C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[C@@H](C)O1 ZINC000299743014 410605719 /nfs/dbraw/zinc/60/57/19/410605719.db2.gz LNJXYQXHSFZVKF-MRLBHPIUSA-N -1 0 324.421 1.340 50 0 DDAARM Cc1noc([C@H]2CCN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)C2)n1 ZINC000299776586 410620614 /nfs/dbraw/zinc/62/06/14/410620614.db2.gz MPRWNQGGGSOCBV-JTQLQIEISA-N -1 0 318.333 1.651 50 0 DDAARM CNS(=O)(=O)c1cc(NC(=O)[C@@H](C)C(C)(C)C)ccc1[O-] ZINC000330765716 410892098 /nfs/dbraw/zinc/89/20/98/410892098.db2.gz KEXNMYOCMMZLNB-SECBINFHSA-N -1 0 314.407 1.921 50 0 DDAARM NC(=O)[C@@H]1CCC[C@@H](n2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000120713060 418503863 /nfs/dbraw/zinc/50/38/63/418503863.db2.gz HZWYMKWXQULWIA-NXEZZACHSA-N -1 0 303.387 1.902 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000262615078 222286584 /nfs/dbraw/zinc/28/65/84/222286584.db2.gz LSOYMVIZLMGTBW-KBPBESRZSA-N -1 0 307.321 1.916 50 0 DDAARM CCC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000408517449 418807414 /nfs/dbraw/zinc/80/74/14/418807414.db2.gz JGUOBLMRQLFFOM-RNFRBKRXSA-N -1 0 320.233 1.997 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cc(C2CC2)nn1 ZINC000299740860 229373837 /nfs/dbraw/zinc/37/38/37/229373837.db2.gz BSPJALNMPJVZOH-BNOWGMLFSA-N -1 0 318.377 1.400 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)C1 ZINC000299745225 229387303 /nfs/dbraw/zinc/38/73/03/229387303.db2.gz WVILPGRZJRFOHN-QWHCGFSZSA-N -1 0 319.357 1.791 50 0 DDAARM C[C@H](Oc1ccccc1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000516945651 421581716 /nfs/dbraw/zinc/58/17/16/421581716.db2.gz JFZPGCWITYQEQT-LBPRGKRZSA-N -1 0 307.346 1.546 50 0 DDAARM CC[C@](CNC(=O)c1cn(C)cn1)(C(=O)[O-])c1ccccc1 ZINC000630196656 421953290 /nfs/dbraw/zinc/95/32/90/421953290.db2.gz LHUYYIZLXBGZGG-MRXNPFEDSA-N -1 0 301.346 1.583 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000583650481 422209692 /nfs/dbraw/zinc/20/96/92/422209692.db2.gz CAYPZRQGYBIWNO-NSHDSACASA-N -1 0 304.346 1.749 50 0 DDAARM CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000575408829 422295714 /nfs/dbraw/zinc/29/57/14/422295714.db2.gz WRQAIBXGWPJWLJ-AVGNSLFASA-N -1 0 312.410 1.400 50 0 DDAARM CCCn1c(N)c2nc(-c3cccs3)[n-]c(=O)c2nc1=O ZINC000002585717 276297087 /nfs/dbraw/zinc/29/70/87/276297087.db2.gz USDRUZGFUCSHOZ-UHFFFAOYSA-N -1 0 303.347 1.031 50 0 DDAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC000002527332 278399900 /nfs/dbraw/zinc/39/99/00/278399900.db2.gz UOZAIRMXJCRTJN-CYBMUJFWSA-N -1 0 321.377 1.760 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000005177679 278400214 /nfs/dbraw/zinc/40/02/14/278400214.db2.gz PWYGTZUOLAGDNK-UHFFFAOYSA-N -1 0 307.350 1.837 50 0 DDAARM CC(C)[C@H]1C(=O)NCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000299748294 280359277 /nfs/dbraw/zinc/35/92/77/280359277.db2.gz GTPPCJPITNQLMZ-HNNXBMFYSA-N -1 0 318.373 1.300 50 0 DDAARM CCOc1ncccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000076936235 280974830 /nfs/dbraw/zinc/97/48/30/280974830.db2.gz CWLUCZKHAPVNAK-NSHDSACASA-N -1 0 300.380 1.791 50 0 DDAARM CN(C)[C@@H](CNC(=O)Cc1ccccc1C(=O)[O-])c1ccco1 ZINC000044980283 289278767 /nfs/dbraw/zinc/27/87/67/289278767.db2.gz IQNLEVLEPZAGSA-AWEZNQCLSA-N -1 0 316.357 1.939 50 0 DDAARM CCc1nc(S([O-])=CC(=O)N(C)Cc2ccc(F)cc2)n[nH]1 ZINC000086330785 484006023 /nfs/dbraw/zinc/00/60/23/484006023.db2.gz VOXFSYJRIAALNO-QFIPXVFZSA-N -1 0 324.381 1.272 50 0 DDAARM O=C([O-])C[C@@]1(NC(=O)c2ccc3c(c2)CCOC3)CCOC1 ZINC000659151038 484657283 /nfs/dbraw/zinc/65/72/83/484657283.db2.gz HWUGYFDGUPBGAW-INIZCTEOSA-N -1 0 305.330 1.123 50 0 DDAARM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1cnn(C)c1 ZINC000663140502 484699072 /nfs/dbraw/zinc/69/90/72/484699072.db2.gz DXOHGCBAPALFOS-BZNIZROVSA-N -1 0 301.346 1.640 50 0 DDAARM COc1ccccc1CCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000299767615 534026111 /nfs/dbraw/zinc/02/61/11/534026111.db2.gz IKJHYXZFSUPBIM-UHFFFAOYSA-N -1 0 303.318 1.548 50 0 DDAARM Cc1oc(CNC(=O)c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000299744733 534544997 /nfs/dbraw/zinc/54/49/97/534544997.db2.gz USWDBQJYIKSHRG-UHFFFAOYSA-N -1 0 317.297 1.987 50 0 DDAARM Cc1cccc([C@H](CC(=O)N2CC[C@H](C(=O)[O-])C2)NC(N)=O)c1 ZINC000299743349 534761692 /nfs/dbraw/zinc/76/16/92/534761692.db2.gz NHLVGAPOEUNQTM-STQMWFEESA-N -1 0 319.361 1.028 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299748100 534858176 /nfs/dbraw/zinc/85/81/76/534858176.db2.gz FZTASSDTYWJXFN-CQSZACIVSA-N -1 0 323.393 1.010 50 0 DDAARM COc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)[O-])c1 ZINC000169751179 697343870 /nfs/dbraw/zinc/34/38/70/697343870.db2.gz XYJIJZLHNPCPRR-UHFFFAOYSA-N -1 0 315.329 1.687 50 0 DDAARM O=C([O-])CCc1nc(CSc2nc3ncccc3o2)no1 ZINC000675031465 737526944 /nfs/dbraw/zinc/52/69/44/737526944.db2.gz PMBRPWKDONDERO-UHFFFAOYSA-N -1 0 306.303 1.915 50 0 DDAARM Cc1nsc(C)c1[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000585118916 771951817 /nfs/dbraw/zinc/95/18/17/771951817.db2.gz HXKSTESOGYEGNZ-UHFFFAOYSA-N -1 0 306.800 1.948 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000585433249 773682979 /nfs/dbraw/zinc/68/29/79/773682979.db2.gz FWRVJCHSIKNTIL-UHFFFAOYSA-N -1 0 301.274 1.564 50 0 DDAARM COc1cc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1 ZINC000328595298 231236659 /nfs/dbraw/zinc/23/66/59/231236659.db2.gz QNNNTMADKHQFBB-RDFMZFSFSA-N -1 0 321.329 1.029 50 0 DDAARM O=c1[n-]c(CNc2cncc(SCc3ccccc3)n2)n[nH]1 ZINC000095436098 185364808 /nfs/dbraw/zinc/36/48/08/185364808.db2.gz OZHKDJDPTHOPOZ-UHFFFAOYSA-N -1 0 314.374 1.792 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)nc1C ZINC000095453661 185369443 /nfs/dbraw/zinc/36/94/43/185369443.db2.gz NFPCTORPNUIAJO-UHFFFAOYSA-N -1 0 308.363 1.111 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000071288499 190953170 /nfs/dbraw/zinc/95/31/70/190953170.db2.gz BWYKPZFFJZEABP-VXGBXAGGSA-N -1 0 300.318 1.563 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2cc(=O)[nH]c3ccccc32)CCSC1 ZINC000277321613 213444318 /nfs/dbraw/zinc/44/43/18/213444318.db2.gz UGXNVYCTLFYFBB-HNNXBMFYSA-N -1 0 318.354 1.631 50 0 DDAARM Cc1cnn(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000072272838 191095733 /nfs/dbraw/zinc/09/57/33/191095733.db2.gz VZJHCGTYBAXBHU-NSHDSACASA-N -1 0 307.375 1.975 50 0 DDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)onc1N ZINC000072405978 191152065 /nfs/dbraw/zinc/15/20/65/191152065.db2.gz FCHNKHYZAWDIHQ-UHFFFAOYSA-N -1 0 311.319 1.153 50 0 DDAARM C[C@@H](O)[C@H](Nc1ccccc1CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000000088505 180688666 /nfs/dbraw/zinc/68/86/66/180688666.db2.gz VCESZMABSRMDDJ-YGRLFVJLSA-N -1 0 309.362 1.817 50 0 DDAARM Cc1cccc([C@H](C)C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000096002333 353913303 /nfs/dbraw/zinc/91/33/03/353913303.db2.gz SHVOSCMBESWOMP-NSHDSACASA-N -1 0 314.345 1.472 50 0 DDAARM Cc1c(O)ccc2c(C)c(CCC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000004063293 181068663 /nfs/dbraw/zinc/06/86/63/181068663.db2.gz GDSJWQGWCGGMOX-UHFFFAOYSA-N -1 0 319.313 1.249 50 0 biogenic DDAARM Cc1ccc(NC(=O)C2CC2)cc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000194021279 354292407 /nfs/dbraw/zinc/29/24/07/354292407.db2.gz AKWDDEZDMACJLH-UHFFFAOYSA-N -1 0 320.374 1.867 50 0 DDAARM CC(C)OCCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000004757083 181149114 /nfs/dbraw/zinc/14/91/14/181149114.db2.gz YFSVDCSIOSJZSC-UHFFFAOYSA-N -1 0 314.407 1.603 50 0 DDAARM C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237522471 202270131 /nfs/dbraw/zinc/27/01/31/202270131.db2.gz LPHZNFUUYLTDIF-RISCZKNCSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N[C@@H](C)C(=O)[O-])C2=O)cc1C ZINC000237542531 202276554 /nfs/dbraw/zinc/27/65/54/202276554.db2.gz UANUOUIAMLCQBY-WCQYABFASA-N -1 0 304.346 1.246 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237613036 202303687 /nfs/dbraw/zinc/30/36/87/202303687.db2.gz VRZFMCSMZPIEIP-GHMZBOCLSA-N -1 0 321.421 1.927 50 0 DDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000006730636 181378535 /nfs/dbraw/zinc/37/85/35/181378535.db2.gz NVDPFFGOYWAQBW-ZIAGYGMSSA-N -1 0 317.389 1.621 50 0 DDAARM CCC[C@@H]1CN(C(=O)CCN2CCCCCC2=O)C[C@H]1C(=O)[O-] ZINC000091519411 193068438 /nfs/dbraw/zinc/06/84/38/193068438.db2.gz HMSPMEGNQJVXKW-ZIAGYGMSSA-N -1 0 324.421 1.738 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000299747283 304135009 /nfs/dbraw/zinc/13/50/09/304135009.db2.gz CKYQOYDZZBRNKI-XWIASGKRSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1C1CC1 ZINC000092097254 193157119 /nfs/dbraw/zinc/15/71/19/193157119.db2.gz KPHBSXARIFTJKN-WDEREUQCSA-N -1 0 312.753 1.830 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000088374684 304135815 /nfs/dbraw/zinc/13/58/15/304135815.db2.gz KCCGQWBQDYKTHF-JTQLQIEISA-N -1 0 309.318 1.966 50 0 DDAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262425771 203291441 /nfs/dbraw/zinc/29/14/41/203291441.db2.gz DEHBQCBIRYHHGN-JTQLQIEISA-N -1 0 311.309 1.031 50 0 DDAARM COc1cc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000262453583 203298350 /nfs/dbraw/zinc/29/83/50/203298350.db2.gz PSRSATVMCZCUMS-ZDUSSCGKSA-N -1 0 321.373 1.960 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000262468373 203301431 /nfs/dbraw/zinc/30/14/31/203301431.db2.gz JDDABWKZWWFQNM-UHFFFAOYSA-N -1 0 305.330 1.088 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1cc(N2CCNC2=O)ccc1F ZINC000262590979 203343211 /nfs/dbraw/zinc/34/32/11/203343211.db2.gz HRUQIJOASURQNY-UHFFFAOYSA-N -1 0 323.324 1.292 50 0 DDAARM O=C([O-])CSc1ccc(S(=O)(=O)N2CCCC2)cn1 ZINC000007813663 181499676 /nfs/dbraw/zinc/49/96/76/181499676.db2.gz VOKUNIHUYJCIJL-UHFFFAOYSA-N -1 0 302.377 1.043 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2ccccc21 ZINC000020027761 304178222 /nfs/dbraw/zinc/17/82/22/304178222.db2.gz XJMYTOHXVWFXCG-CYBMUJFWSA-N -1 0 300.314 1.607 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Br)cn1 ZINC000061860251 304178697 /nfs/dbraw/zinc/17/86/97/304178697.db2.gz JOTRLIWUSUXRDU-SNVBAGLBSA-N -1 0 313.151 1.923 50 0 DDAARM CCOC(=O)c1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020616131 182239544 /nfs/dbraw/zinc/23/95/44/182239544.db2.gz FEMFTTZOIZSGRH-UHFFFAOYSA-N -1 0 317.301 1.547 50 0 DDAARM COc1ccc(O[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000041539047 183200435 /nfs/dbraw/zinc/20/04/35/183200435.db2.gz SFTQCYDQEXJAPE-NSHDSACASA-N -1 0 307.346 1.786 50 0 DDAARM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043702071 183381832 /nfs/dbraw/zinc/38/18/32/183381832.db2.gz AEVIBVZTBKJREX-SKDRFNHKSA-N -1 0 313.737 1.419 50 0 DDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000104150409 193987746 /nfs/dbraw/zinc/98/77/46/193987746.db2.gz KKOVEKOYDFHKKJ-MCIONIFRSA-N -1 0 317.341 1.563 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@H]2CCOc3ccccc32)CCSC1 ZINC000111185486 304213845 /nfs/dbraw/zinc/21/38/45/304213845.db2.gz RHGROOYNUNPUAN-NHYWBVRUSA-N -1 0 307.371 1.629 50 0 DDAARM O=C([O-])c1nnn(-c2nccs2)c1-c1ccc2c(c1)OCO2 ZINC000062425056 184235347 /nfs/dbraw/zinc/23/53/47/184235347.db2.gz FKOCNSRRSRNQQR-UHFFFAOYSA-N -1 0 316.298 1.818 50 0 DDAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1N(C)C[C@H]1COCCO1 ZINC000064820651 184303773 /nfs/dbraw/zinc/30/37/73/184303773.db2.gz BSEUXZLKUVUJJC-LBPRGKRZSA-N -1 0 322.361 1.585 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000269205428 207323284 /nfs/dbraw/zinc/32/32/84/207323284.db2.gz SZHANHVMDIYWJA-FUEXJSSKSA-N -1 0 305.330 1.650 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC000123683946 304249993 /nfs/dbraw/zinc/24/99/93/304249993.db2.gz YCUDUDZTGWIPAL-QWRGUYRKSA-N -1 0 313.350 1.945 50 0 DDAARM C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000377144293 257235349 /nfs/dbraw/zinc/23/53/49/257235349.db2.gz ACNXEYPRHNPXDE-JHEVNIALSA-N -1 0 302.330 1.017 50 0 DDAARM Cc1nc2ccccc2cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000178280556 257239569 /nfs/dbraw/zinc/23/95/69/257239569.db2.gz ATPLGAXBZIEVOM-AWEZNQCLSA-N -1 0 300.314 1.469 50 0 DDAARM CCC1=C[C@](O)(C(F)(F)F)N(C(=O)c2c(Cl)cnn2C)N1 ZINC000000998713 406662158 /nfs/dbraw/zinc/66/21/58/406662158.db2.gz UTYVMBLDSYCSJO-JTQLQIEISA-N -1 0 324.690 1.936 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc(N3N=N3)n2)cc1 ZINC000001151876 406666044 /nfs/dbraw/zinc/66/60/44/406666044.db2.gz KDENVOUTNGSHLW-UHFFFAOYSA-N -1 0 304.335 1.996 50 0 DDAARM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000002877948 406704086 /nfs/dbraw/zinc/70/40/86/406704086.db2.gz SLMGULQANNNRET-UHFFFAOYSA-N -1 0 322.180 1.544 50 0 DDAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)OCc1ccccc1 ZINC000002230662 406685570 /nfs/dbraw/zinc/68/55/70/406685570.db2.gz FMNDHIYJCFGUGE-CQSZACIVSA-N -1 0 303.314 1.956 50 0 DDAARM O=C([O-])CCCNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000002891110 406704973 /nfs/dbraw/zinc/70/49/73/406704973.db2.gz HVAOPDATLMUMBC-UHFFFAOYSA-N -1 0 313.353 1.904 50 0 DDAARM C[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000002436787 406687487 /nfs/dbraw/zinc/68/74/87/406687487.db2.gz PZALPEVIQLMHHT-VIFPVBQESA-N -1 0 300.355 1.223 50 0 DDAARM CCCCCC[N-]S(=O)(=O)c1nc2nc(C)cc(C)n2n1 ZINC000002492540 406690999 /nfs/dbraw/zinc/69/09/99/406690999.db2.gz ZKPTXOWYNJOFBP-UHFFFAOYSA-N -1 0 311.411 1.600 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000002620227 406694109 /nfs/dbraw/zinc/69/41/09/406694109.db2.gz QKQWLMWHAFCAQY-UHFFFAOYSA-N -1 0 303.767 1.825 50 0 DDAARM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000069595989 406740503 /nfs/dbraw/zinc/74/05/03/406740503.db2.gz GSVSBSLPCXENHG-NSHDSACASA-N -1 0 322.386 1.773 50 0 DDAARM CCc1noc(CN(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000069709752 406760648 /nfs/dbraw/zinc/76/06/48/406760648.db2.gz BOJZABVHSYQBTH-UHFFFAOYSA-N -1 0 305.363 1.562 50 0 DDAARM COc1cc(C(=S)N2CCOCC2)ccc1OCC(=O)[O-] ZINC000009188936 406802966 /nfs/dbraw/zinc/80/29/66/406802966.db2.gz UEVCWLPDGOFKCB-UHFFFAOYSA-N -1 0 311.359 1.166 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000071284952 406835833 /nfs/dbraw/zinc/83/58/33/406835833.db2.gz DMWRZWNXMQKRTF-UHFFFAOYSA-N -1 0 312.207 1.841 50 0 DDAARM CC[C@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000071328869 406837044 /nfs/dbraw/zinc/83/70/44/406837044.db2.gz SEAFFYSOKRKJIE-IINYFYTJSA-N -1 0 317.345 1.012 50 0 DDAARM CCOc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)ccc1O ZINC000013758377 406867727 /nfs/dbraw/zinc/86/77/27/406867727.db2.gz QWWSZPTWYZUJMQ-WDZFZDKYSA-N -1 0 323.326 1.912 50 0 DDAARM CS(=O)(=O)c1cc(F)ccc1N1CCCC[C@@H]1C(=O)[O-] ZINC000015443181 406881186 /nfs/dbraw/zinc/88/11/86/406881186.db2.gz KJTREUDOCPYOMV-LLVKDONJSA-N -1 0 301.339 1.673 50 0 DDAARM CN1CCOc2ccc(S(=O)(=O)[N-]c3cccnc3)cc21 ZINC000015674664 406881520 /nfs/dbraw/zinc/88/15/20/406881520.db2.gz KHGNOJFBJIIGGU-UHFFFAOYSA-N -1 0 305.359 1.711 50 0 DDAARM Cn1cc(NC(=O)c2c(C(=O)[O-])cnn2C)c(C(F)(F)F)n1 ZINC000020616615 406887161 /nfs/dbraw/zinc/88/71/61/406887161.db2.gz AUZCTGXIDSRSRS-UHFFFAOYSA-N -1 0 317.227 1.123 50 0 DDAARM COc1c2c(cc([C@@H]3ON=C(C(=O)[O-])[C@H]3C)c1OC)OCO2 ZINC000035327393 406972269 /nfs/dbraw/zinc/97/22/69/406972269.db2.gz ITGBMRBTMORXHR-LHLIQPBNSA-N -1 0 309.274 1.581 50 0 DDAARM O=C(c1cccc(-n2cccn2)c1)N1CCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000077321489 406984938 /nfs/dbraw/zinc/98/49/38/406984938.db2.gz GVEXJTCOJPPQTC-ZDUSSCGKSA-N -1 0 324.344 1.261 50 0 DDAARM Cn1ncc2c1NC(=O)C[C@H]2c1ccccc1OCC(=O)[O-] ZINC000049546368 407122464 /nfs/dbraw/zinc/12/24/64/407122464.db2.gz UVXLPVMOHUVBIG-JTQLQIEISA-N -1 0 301.302 1.358 50 0 DDAARM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000089522954 407138478 /nfs/dbraw/zinc/13/84/78/407138478.db2.gz KXHHZQPCOYJPMD-UHFFFAOYSA-N -1 0 323.374 1.989 50 0 DDAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1ncccc1F)CC2 ZINC000091255285 407182208 /nfs/dbraw/zinc/18/22/08/407182208.db2.gz HNOGNMFEGKFYBB-ZDUSSCGKSA-N -1 0 321.352 1.513 50 0 DDAARM CC(C)CCn1c2ccc(C(=O)[O-])cc2n([C@H](C)C(N)=O)c1=O ZINC000055244196 407198002 /nfs/dbraw/zinc/19/80/02/407198002.db2.gz UYGOGVJOEKAOEK-SNVBAGLBSA-N -1 0 319.361 1.594 50 0 DDAARM O=C([O-])c1ccc(F)c(NC(=O)CCNC(=O)c2ccco2)c1 ZINC000095349592 407207380 /nfs/dbraw/zinc/20/73/80/407207380.db2.gz SFBBPBQBHHWGDE-UHFFFAOYSA-N -1 0 320.276 1.876 50 0 DDAARM CCCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccco2)n(C)n1 ZINC000095378488 407210587 /nfs/dbraw/zinc/21/05/87/407210587.db2.gz OIPPCGODFKRSSY-LLVKDONJSA-N -1 0 305.334 1.911 50 0 DDAARM CC[C@H](COC)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000095940687 407214876 /nfs/dbraw/zinc/21/48/76/407214876.db2.gz OTJCJCKXUIPRMT-SNVBAGLBSA-N -1 0 305.327 1.227 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Cn2cccn2)o1 ZINC000095970253 407218812 /nfs/dbraw/zinc/21/88/12/407218812.db2.gz MGDKKDSWDSDCPT-HNNXBMFYSA-N -1 0 305.334 1.898 50 0 DDAARM C[C@H](CNC(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000123207468 407322666 /nfs/dbraw/zinc/32/26/66/407322666.db2.gz FWPSVHVIKCCMBR-MBNYWOFBSA-N -1 0 318.373 1.433 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000067540837 407276104 /nfs/dbraw/zinc/27/61/04/407276104.db2.gz BVUFGAOUBJWCCU-JTQLQIEISA-N -1 0 303.293 1.649 50 0 DDAARM CCC[C@@](C)(NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000097990800 407303757 /nfs/dbraw/zinc/30/37/57/407303757.db2.gz TWMBYIHDDRDAQO-LLVKDONJSA-N -1 0 323.802 1.304 50 0 DDAARM CSc1nn2c([n-]1)nc(CSc1nccc(C)n1)cc2=O ZINC000100071766 407307087 /nfs/dbraw/zinc/30/70/87/407307087.db2.gz GZNCNWKZCLZHBK-UHFFFAOYSA-N -1 0 320.403 1.530 50 0 DDAARM Cn1c2ccccc2c([O-])c(C(=O)NCc2ccccn2)c1=O ZINC000100331666 407307660 /nfs/dbraw/zinc/30/76/60/407307660.db2.gz GLMKYGLRQJXSGC-UHFFFAOYSA-N -1 0 309.325 1.569 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccon1)c1cc2cc(F)ccc2o1 ZINC000124581968 407362936 /nfs/dbraw/zinc/36/29/36/407362936.db2.gz VPZBONRYGUUEER-UHFFFAOYSA-N -1 0 324.289 1.820 50 0 DDAARM Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)n1C ZINC000111240037 407402665 /nfs/dbraw/zinc/40/26/65/407402665.db2.gz KPCWRWRVAHUJJB-GFCCVEGCSA-N -1 0 304.268 1.813 50 0 DDAARM C[C@H]1c2ccccc2O[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649824 407463665 /nfs/dbraw/zinc/46/36/65/407463665.db2.gz HNIJVDFZZGYEIK-ZANVPECISA-N -1 0 322.342 1.185 50 0 DDAARM CC[C@H](C(=O)[O-])[S@](=O)Cc1nnnn1-c1c(C)cccc1C ZINC000170602784 407449156 /nfs/dbraw/zinc/44/91/56/407449156.db2.gz UICMFYVOZGXFAB-RKFFSXRUSA-N -1 0 322.390 1.391 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000237278588 292452048 /nfs/dbraw/zinc/45/20/48/292452048.db2.gz FFKWTLJCVVZYDA-ZYHUDNBSSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1 ZINC000238123680 407892829 /nfs/dbraw/zinc/89/28/29/407892829.db2.gz BYEGFBZYCVZLAB-CQSZACIVSA-N -1 0 302.330 1.343 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CC2)CCO1 ZINC000238195235 407896451 /nfs/dbraw/zinc/89/64/51/407896451.db2.gz MYMBAEVVBQDZDG-CYBMUJFWSA-N -1 0 307.321 1.559 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000240333243 407907272 /nfs/dbraw/zinc/90/72/72/407907272.db2.gz FCKVTCBNTCJBEC-QWHCGFSZSA-N -1 0 318.304 1.860 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)CCO1 ZINC000262932047 407975429 /nfs/dbraw/zinc/97/54/29/407975429.db2.gz GLNWFZSHSQRLAG-LOWVWBTDSA-N -1 0 311.284 1.380 50 0 DDAARM C[N@@H+](CC(=O)[O-])C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000262785630 407931265 /nfs/dbraw/zinc/93/12/65/407931265.db2.gz CPMWNVJVUKBEQT-GDBMZVCRSA-N -1 0 322.380 1.530 50 0 DDAARM C[N@@H+](CC(=O)[O-])C[C@H]1CN([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000262785633 407931349 /nfs/dbraw/zinc/93/13/49/407931349.db2.gz CPMWNVJVUKBEQT-GOEBONIOSA-N -1 0 322.380 1.530 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000263109702 408025712 /nfs/dbraw/zinc/02/57/12/408025712.db2.gz XCYUKCQUPQICLD-MRXNPFEDSA-N -1 0 314.345 1.594 50 0 DDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC000262990918 407994968 /nfs/dbraw/zinc/99/49/68/407994968.db2.gz KCVMTBKFLVVTSU-STQMWFEESA-N -1 0 323.393 1.552 50 0 DDAARM O=C([O-])C1(C(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000154784744 408086904 /nfs/dbraw/zinc/08/69/04/408086904.db2.gz DPVDRFPMBHVWFX-UHFFFAOYSA-N -1 0 302.330 1.294 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc2c1 ZINC000263556777 408172088 /nfs/dbraw/zinc/17/20/88/408172088.db2.gz ZGEHTYWATFBCNX-HNNXBMFYSA-N -1 0 306.293 1.815 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000263563791 408176598 /nfs/dbraw/zinc/17/65/98/408176598.db2.gz ULYBOMHRGWTXKK-GZMMTYOYSA-N -1 0 310.737 1.282 50 0 DDAARM CC(C)C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000175878706 408229214 /nfs/dbraw/zinc/22/92/14/408229214.db2.gz FPRMBCNFHLPNKT-GHMZBOCLSA-N -1 0 310.350 1.261 50 0 DDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CN(C)Cc2ccccn2)C1 ZINC000252483240 408797367 /nfs/dbraw/zinc/79/73/67/408797367.db2.gz DXWTXIAMOZGLQV-QGZVFWFLSA-N -1 0 319.405 1.617 50 0 DDAARM O=C([O-])COc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000252505810 408801522 /nfs/dbraw/zinc/80/15/22/408801522.db2.gz VTXGUWRHMKQZHZ-SECBINFHSA-N -1 0 313.737 1.710 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000262932873 163894204 /nfs/dbraw/zinc/89/42/04/163894204.db2.gz PBUPMWQLRFMUKG-WMLDXEAASA-N -1 0 303.358 1.666 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000299740635 410604842 /nfs/dbraw/zinc/60/48/42/410604842.db2.gz AUANPXUIIJDHJZ-LBPRGKRZSA-N -1 0 322.336 1.209 50 0 DDAARM Cc1cc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)c(C)o1 ZINC000299757231 410608123 /nfs/dbraw/zinc/60/81/23/410608123.db2.gz JVJHYTYIZDUMDJ-CMPLNLGQSA-N -1 0 318.333 1.345 50 0 DDAARM C[C@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)[C@H]1C(=O)[O-] ZINC000263011739 299831633 /nfs/dbraw/zinc/83/16/33/299831633.db2.gz BYEBVHQBBMWJRW-JOYOIKCWSA-N -1 0 305.334 1.503 50 0 DDAARM O=C(CN1CCC[C@H]1C(=O)[O-])NCCCOC1CCCCC1 ZINC000262617171 222286496 /nfs/dbraw/zinc/28/64/96/222286496.db2.gz CYJLGIGQPLQYTC-AWEZNQCLSA-N -1 0 312.410 1.391 50 0 DDAARM Cc1cc(=O)c(C(=O)NC2(CC(=O)[O-])CCCCC2)cn1C ZINC000426563528 419507176 /nfs/dbraw/zinc/50/71/76/419507176.db2.gz YXZNGQIJHCQRRJ-UHFFFAOYSA-N -1 0 306.362 1.601 50 0 DDAARM CC1(C)CCN(C(=O)N=c2ccc(C3CC3)n[n-]2)CC[S@]1=O ZINC000585119806 422307164 /nfs/dbraw/zinc/30/71/64/422307164.db2.gz VCTLPNPETSLJSD-JOCHJYFZSA-N -1 0 322.434 1.541 50 0 DDAARM C[C@H]1CC(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@H](C)C1 ZINC000585122237 422307251 /nfs/dbraw/zinc/30/72/51/422307251.db2.gz SFNOTUMAEPQHNX-GHMZBOCLSA-N -1 0 314.393 1.629 50 0 DDAARM COc1cc(C=CC(=O)N(C)c2nnn[n-]2)ccc1OC(C)C ZINC000606446048 422458848 /nfs/dbraw/zinc/45/88/48/422458848.db2.gz KJIHVCNHSLLSKH-VURMDHGXSA-N -1 0 317.349 1.672 50 0 DDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000643848922 423378517 /nfs/dbraw/zinc/37/85/17/423378517.db2.gz PATNWLBONKRUNU-KRWDZBQOSA-N -1 0 319.357 1.256 50 0 DDAARM O=C([O-])CC1(NC(=O)c2cccc3ccncc32)CCOCC1 ZINC000649244789 423696449 /nfs/dbraw/zinc/69/64/49/423696449.db2.gz VRGHWSDEUKVJPC-UHFFFAOYSA-N -1 0 314.341 1.989 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000315899835 271015292 /nfs/dbraw/zinc/01/52/92/271015292.db2.gz NPYJNMZHFBAGQF-XQRVVYSFSA-N -1 0 305.330 1.998 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1nc(N2CCCC2)ncc1Cl ZINC000299749765 289587982 /nfs/dbraw/zinc/58/79/82/289587982.db2.gz LLGNTGDYHUVJBL-UHFFFAOYSA-N -1 0 312.757 1.277 50 0 DDAARM Cc1ccnc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)c1 ZINC000095384350 292769507 /nfs/dbraw/zinc/76/95/07/292769507.db2.gz INHLJDPBRDUZFV-LBPRGKRZSA-N -1 0 303.362 1.292 50 0 DDAARM Cc1csc2ncc(C(=O)N3CCCC[C@H]3C(=O)[O-])c(=O)n12 ZINC000263302430 302458401 /nfs/dbraw/zinc/45/84/01/302458401.db2.gz ZVEDYWPBKIDELG-JTQLQIEISA-N -1 0 321.358 1.144 50 0 DDAARM Cn1nccc1CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000190735408 303065712 /nfs/dbraw/zinc/06/57/12/303065712.db2.gz JATPVVJFECSFCG-HNNXBMFYSA-N -1 0 313.357 1.391 50 0 DDAARM NC(=O)c1c2snnc2c(=O)n(-c2ccc(Cl)cc2)c1[O-] ZINC000006058904 303339086 /nfs/dbraw/zinc/33/90/86/303339086.db2.gz PHMNPKHFOSCZJV-UHFFFAOYSA-N -1 0 322.733 1.300 50 0 DDAARM CC1(C)CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1(C)C ZINC000084673606 483998559 /nfs/dbraw/zinc/99/85/59/483998559.db2.gz ASXUTQKQVSOMKO-UHFFFAOYSA-N -1 0 302.334 1.284 50 0 DDAARM CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cs1 ZINC000299752506 528008646 /nfs/dbraw/zinc/00/86/46/528008646.db2.gz UIVYOVSEDUYAGD-DVVUODLYSA-N -1 0 312.391 1.920 50 0 DDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)CCn1c(C)cc(C)nc1=O ZINC000055042390 696281249 /nfs/dbraw/zinc/28/12/49/696281249.db2.gz IQJVHBSXKLUHLX-ZDUSSCGKSA-N -1 0 323.393 1.400 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccncc1Cl)C(=O)[O-] ZINC000067819967 696364485 /nfs/dbraw/zinc/36/44/85/696364485.db2.gz HABARLSDNMULLE-NSHDSACASA-N -1 0 308.725 1.631 50 0 DDAARM C[S@](=O)(=NS(=O)(=O)[N-]CC(F)(F)F)c1ccccc1 ZINC000864095703 706066418 /nfs/dbraw/zinc/06/64/18/706066418.db2.gz XHWCWTRMVPKAHN-GOSISDBHSA-N -1 0 316.326 1.540 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)CCCN1CCCC1=O)c1ccccc1 ZINC000952964759 721528823 /nfs/dbraw/zinc/52/88/23/721528823.db2.gz PHWYEBNVJSFYLS-CQSZACIVSA-N -1 0 318.373 1.721 50 0 DDAARM CCC[C@@H](NC(=O)N(C)Cc1nc2ccccc2n1C)C(=O)[O-] ZINC000822778885 758236102 /nfs/dbraw/zinc/23/61/02/758236102.db2.gz OERZWENIGDMTBO-GFCCVEGCSA-N -1 0 318.377 1.968 50 0 DDAARM Cc1ccc(CC(=O)NC[C@H](C(=O)[O-])C2CCOCC2)s1 ZINC000262859753 539275922 /nfs/dbraw/zinc/27/59/22/539275922.db2.gz FBGXEBYDRWUVFV-ZDUSSCGKSA-N -1 0 311.403 1.843 50 0 DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2cc(C3CC3)n[nH]2)cn1 ZINC000095389219 185351339 /nfs/dbraw/zinc/35/13/39/185351339.db2.gz GAHIUAWNSMHYSN-HNNXBMFYSA-N -1 0 316.361 1.948 50 0 DDAARM O=c1[n-]c(CNc2nc3ccccc3nc2N2CCCC2)n[nH]1 ZINC000095449432 185368457 /nfs/dbraw/zinc/36/84/57/185368457.db2.gz LOTAULPWHIANQB-UHFFFAOYSA-N -1 0 311.349 1.254 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCC2)[C@@H](n2cc(C3CC3)nn2)C1 ZINC000685942616 539566359 /nfs/dbraw/zinc/56/63/59/539566359.db2.gz YJGPIIYZKGQEMS-BZPMIXESSA-N -1 0 318.377 1.476 50 0 DDAARM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000069848870 190829291 /nfs/dbraw/zinc/82/92/91/190829291.db2.gz KKOZBYXRNRDPLV-ZJUUUORDSA-N -1 0 318.192 1.628 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2cccc3cnccc32)CC1 ZINC000071715369 191011872 /nfs/dbraw/zinc/01/18/72/191011872.db2.gz ULYCAAADFYRZNV-UHFFFAOYSA-N -1 0 300.314 1.287 50 0 DDAARM O=C(Nc1cnccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001297844 304012294 /nfs/dbraw/zinc/01/22/94/304012294.db2.gz XNNPPZPBBXDLTA-UHFFFAOYSA-N -1 0 308.297 1.306 50 0 DDAARM Cc1cnc(C)c(N2CCC(C(=O)[O-])(n3ccnc3)CC2)n1 ZINC000072453802 191171131 /nfs/dbraw/zinc/17/11/31/191171131.db2.gz RHECYXREXJCPGY-UHFFFAOYSA-N -1 0 301.350 1.370 50 0 DDAARM O=C([O-])CN1C(=O)[C@@H](Oc2ccccc2)[C@@H]1c1ccccc1O ZINC000075272610 353357447 /nfs/dbraw/zinc/35/74/47/353357447.db2.gz XCUTXZYWXRZWSL-HOTGVXAUSA-N -1 0 313.309 1.808 50 0 DDAARM CCn1cnnc1CCNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000097228826 353918108 /nfs/dbraw/zinc/91/81/08/353918108.db2.gz VEDATTLRUNFINU-UHFFFAOYSA-N -1 0 312.732 1.769 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccn2)cn1 ZINC000097235899 353918573 /nfs/dbraw/zinc/91/85/73/353918573.db2.gz UZSSWGBSLICDNB-UHFFFAOYSA-N -1 0 306.269 1.635 50 0 DDAARM Cc1c(O)ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12 ZINC000004064355 181068885 /nfs/dbraw/zinc/06/88/85/181068885.db2.gz WLUDKAJBUMWIEQ-VIFPVBQESA-N -1 0 319.313 1.247 50 0 biogenic DDAARM COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004166090 181080773 /nfs/dbraw/zinc/08/07/73/181080773.db2.gz JBRQLWVBBWJLQN-XQHKEYJVSA-N -1 0 323.732 1.941 50 0 DDAARM C[C@H](CN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C)c1nnn[n-]1 ZINC000156528116 354219117 /nfs/dbraw/zinc/21/91/17/354219117.db2.gz ITSDYFDKZXTEFM-GIPNMCIBSA-N -1 0 301.350 1.326 50 0 DDAARM COc1ccc(-c2nn(CCC(=O)[O-])cc2C=O)cc1OC ZINC000004872392 181166977 /nfs/dbraw/zinc/16/69/77/181166977.db2.gz LSYTZKURDFBMSV-UHFFFAOYSA-N -1 0 304.302 1.855 50 0 DDAARM Cc1c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000005378104 181236590 /nfs/dbraw/zinc/23/65/90/181236590.db2.gz MSUJKBMHPCMFRK-NWDGAFQWSA-N -1 0 315.329 1.144 50 0 DDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000408513231 304052369 /nfs/dbraw/zinc/05/23/69/304052369.db2.gz BSKGDFDNOQVRCN-ZFWWWQNUSA-N -1 0 319.357 1.472 50 0 DDAARM CCn1ncc(C(=O)N2CCC(C(=O)[O-])CC2)c1C(F)(F)F ZINC000236977714 202105717 /nfs/dbraw/zinc/10/57/17/202105717.db2.gz AZFXOPQLSGZCAG-UHFFFAOYSA-N -1 0 319.283 1.859 50 0 DDAARM CCc1ccc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000237163950 202171230 /nfs/dbraw/zinc/17/12/30/202171230.db2.gz YHMJMDSTKZUJLP-OAHLLOKOSA-N -1 0 305.374 1.884 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000237173095 202174377 /nfs/dbraw/zinc/17/43/77/202174377.db2.gz RUDVSHOJBKZZAN-DNGMOHDESA-N -1 0 316.357 1.525 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCCc3ccccc32)CCO1 ZINC000269045141 304084143 /nfs/dbraw/zinc/08/41/43/304084143.db2.gz SGCDWODKGFIQRM-ZFWWWQNUSA-N -1 0 303.358 1.809 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)C2=O)cc1 ZINC000237629322 202310313 /nfs/dbraw/zinc/31/03/13/202310313.db2.gz WFYJDMHRUKPEPG-OCCSQVGLSA-N -1 0 316.357 1.281 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@H](C(=O)[O-])C3)coc2c1C ZINC000237871480 202375259 /nfs/dbraw/zinc/37/52/59/202375259.db2.gz VQXGTQKPDNDODP-AWEZNQCLSA-N -1 0 317.341 1.904 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-n2cnnn2)cc1 ZINC000006587068 181357917 /nfs/dbraw/zinc/35/79/17/181357917.db2.gz NEHJVTHBNQBKOK-UHFFFAOYSA-N -1 0 320.334 1.068 50 0 DDAARM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000006706704 181374904 /nfs/dbraw/zinc/37/49/04/181374904.db2.gz RRKYUYOZUWQEOM-UHFFFAOYSA-N -1 0 312.297 1.865 50 0 DDAARM C[C@H](NC(=O)CCSCc1ccc(F)cc1)c1n[nH]c(=O)[n-]1 ZINC000220161424 201570073 /nfs/dbraw/zinc/57/00/73/201570073.db2.gz NFXIBGVZNUFQPA-VIFPVBQESA-N -1 0 324.381 1.738 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1cc(OC)c(C)c(OC)c1 ZINC000095373466 193437222 /nfs/dbraw/zinc/43/72/22/193437222.db2.gz XMUMHNOKXPFIFB-UHFFFAOYSA-N -1 0 311.334 1.185 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000136520746 304178185 /nfs/dbraw/zinc/17/81/85/304178185.db2.gz ZIIRTBQMTGZVMX-CYBMUJFWSA-N -1 0 318.304 1.747 50 0 DDAARM COC(=O)c1ccc(C)c(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020615809 182239302 /nfs/dbraw/zinc/23/93/02/182239302.db2.gz XSGBEWATWRDDPQ-UHFFFAOYSA-N -1 0 317.301 1.466 50 0 DDAARM COc1ccc2c(ccn2CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000032072636 182633365 /nfs/dbraw/zinc/63/33/65/182633365.db2.gz OKQNYCZIPCCGDH-ZDUSSCGKSA-N -1 0 316.357 1.973 50 0 DDAARM Cc1cc(CN(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)no1 ZINC000035246921 182764272 /nfs/dbraw/zinc/76/42/72/182764272.db2.gz APDBRQXJBKDZLS-UHFFFAOYSA-N -1 0 310.331 1.502 50 0 DDAARM CN(CCC(=O)[O-])C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000268930854 207096774 /nfs/dbraw/zinc/09/67/74/207096774.db2.gz JHCCFPKEHDRNGN-UHFFFAOYSA-N -1 0 313.737 1.587 50 0 DDAARM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000057100593 184026995 /nfs/dbraw/zinc/02/69/95/184026995.db2.gz YIIBAHXXEBVHIN-DZGCQCFKSA-N -1 0 300.362 1.726 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000269025554 207175867 /nfs/dbraw/zinc/17/58/67/207175867.db2.gz KGYULWNTFUFXDF-HNNXBMFYSA-N -1 0 300.318 1.204 50 0 DDAARM CC(C)COC(=O)N1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C(=O)[O-])C1 ZINC000065405612 184338913 /nfs/dbraw/zinc/33/89/13/184338913.db2.gz KLMZCLLLPBBMEN-LRDDRELGSA-N -1 0 324.377 1.034 50 0 DDAARM C[C@H](Cc1cnccn1)Nc1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065452962 184346494 /nfs/dbraw/zinc/34/64/94/184346494.db2.gz YPXFXZYTVHGAPB-SECBINFHSA-N -1 0 324.344 1.743 50 0 DDAARM Cn1c(CCNC(=O)C2(C(=O)[O-])CC2)nc2c1cccc2F ZINC000154877137 197001071 /nfs/dbraw/zinc/00/10/71/197001071.db2.gz BXQCOCQXOCMTHE-UHFFFAOYSA-N -1 0 305.309 1.236 50 0 DDAARM CSCc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000330674972 257236954 /nfs/dbraw/zinc/23/69/54/257236954.db2.gz IUZGEQRIGIKKFV-GFCCVEGCSA-N -1 0 313.350 1.614 50 0 DDAARM CCc1nnc(CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)s1 ZINC000391906754 257241721 /nfs/dbraw/zinc/24/17/21/257241721.db2.gz JHFUSBLUJBLCCA-UHFFFAOYSA-N -1 0 308.363 1.674 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC ZINC000268982773 257256681 /nfs/dbraw/zinc/25/66/81/257256681.db2.gz OGVTTZIGNWIHPO-FVOPLDGLSA-N -1 0 321.329 1.029 50 0 DDAARM COc1ccc2c(c1)C=C(C(=O)NC1(C(=O)[O-])CCCC1)CO2 ZINC000299744182 533242428 /nfs/dbraw/zinc/24/24/28/533242428.db2.gz NTSLOECMPYZQPE-UHFFFAOYSA-N -1 0 317.341 1.985 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)C2 ZINC000299744545 533281925 /nfs/dbraw/zinc/28/19/25/533281925.db2.gz SVBXJNQLIVGBKK-NEPJUHHUSA-N -1 0 305.330 1.179 50 0 DDAARM O=C([O-])CSc1nc(N2CCOCC2)nc2ccccc21 ZINC000036390450 134695258 /nfs/dbraw/zinc/69/52/58/134695258.db2.gz DBUUGRLAYDOLDS-UHFFFAOYSA-N -1 0 305.359 1.643 50 0 DDAARM CCOC(=O)[C@@H](C)OCCNC(=O)c1ccccc1C(=O)[O-] ZINC000096029645 285842203 /nfs/dbraw/zinc/84/22/03/285842203.db2.gz JUGIRZWQNKYYCG-SNVBAGLBSA-N -1 0 309.318 1.083 50 0 DDAARM C[C@H](O)[C@@H](Nc1ccccc1CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000000088506 406620855 /nfs/dbraw/zinc/62/08/55/406620855.db2.gz VCESZMABSRMDDJ-IINYFYTJSA-N -1 0 309.362 1.817 50 0 DDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(N3CCOCC3)c(F)cc21 ZINC000000229779 406634720 /nfs/dbraw/zinc/63/47/20/406634720.db2.gz WIEQRCYXVMJPGF-UHFFFAOYSA-N -1 0 320.320 1.695 50 0 DDAARM O=C([O-])c1ccc(-c2ccc(C=C3NC(=S)NC3=O)o2)cc1 ZINC000000245955 406634901 /nfs/dbraw/zinc/63/49/01/406634901.db2.gz VSEUBSIOCPHOEN-YRNVUSSQSA-N -1 0 314.322 1.990 50 0 DDAARM CCOC(=O)C(C=Nc1ccccc1C(=O)[O-])C(=O)OCC ZINC000001780080 406676650 /nfs/dbraw/zinc/67/66/50/406676650.db2.gz MAMJBXGYXOFBEH-UHFFFAOYSA-N -1 0 307.302 1.807 50 0 DDAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCc1ccncc1 ZINC000000306446 406638936 /nfs/dbraw/zinc/63/89/36/406638936.db2.gz WCBTVJNYSRWEMV-UHFFFAOYSA-N -1 0 309.325 1.488 50 0 DDAARM O=C([O-])CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000316304 406639004 /nfs/dbraw/zinc/63/90/04/406639004.db2.gz ZXHHFWIHGLCKOP-UHFFFAOYSA-N -1 0 324.292 1.302 50 0 DDAARM COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2c(=O)[nH][nH]c2C[C@@]1(C)O ZINC000004127050 406722147 /nfs/dbraw/zinc/72/21/47/406722147.db2.gz XQUCOWVOYICUFX-RVSPLBMKSA-N -1 0 316.357 1.652 50 0 DDAARM COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2c(=O)[nH][nH]c2C[C@]1(C)O ZINC000004127051 406722276 /nfs/dbraw/zinc/72/22/76/406722276.db2.gz XQUCOWVOYICUFX-IFIJOSMWSA-N -1 0 316.357 1.652 50 0 DDAARM CCOc1ccccc1[N-]S(=O)(=O)[C@H]1CCS(=O)(=O)C1 ZINC000008844444 406798448 /nfs/dbraw/zinc/79/84/48/406798448.db2.gz LODWYXBFFGWGMB-JTQLQIEISA-N -1 0 319.404 1.014 50 0 DDAARM CSCC[C@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000009550289 406810342 /nfs/dbraw/zinc/81/03/42/406810342.db2.gz WIHFIKJBMOSUAE-CABZTGNLSA-N -1 0 315.366 1.916 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCCn1ccnc1 ZINC000009526046 406810936 /nfs/dbraw/zinc/81/09/36/406810936.db2.gz UUSIJSMZBGGENA-UHFFFAOYSA-N -1 0 322.390 1.075 50 0 DDAARM COc1ccc(-c2nnc([N-]C(=O)c3ccno3)o2)cc1OC ZINC000010254164 406821028 /nfs/dbraw/zinc/82/10/28/406821028.db2.gz FLOKBETYHAXXJP-UHFFFAOYSA-N -1 0 316.273 1.994 50 0 DDAARM CC(C)(C)c1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1 ZINC000012927923 406854817 /nfs/dbraw/zinc/85/48/17/406854817.db2.gz JBTRGNOVIDXWPC-UHFFFAOYSA-N -1 0 315.373 1.863 50 0 DDAARM CC(C)C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000013551286 406862889 /nfs/dbraw/zinc/86/28/89/406862889.db2.gz HGVNIUNBRVHCNH-ZDUSSCGKSA-N -1 0 317.345 1.493 50 0 DDAARM CCc1cc2c(ncn([N-]C(=O)c3cc(C)no3)c2=O)s1 ZINC000014158550 406871556 /nfs/dbraw/zinc/87/15/56/406871556.db2.gz KHADMFOITHERED-UHFFFAOYSA-N -1 0 304.331 1.701 50 0 DDAARM O=C(c1cnc2ncnn2c1)c1cc(Br)ccc1[O-] ZINC000014168562 406871717 /nfs/dbraw/zinc/87/17/17/406871717.db2.gz VJSMNIPBMKQPHZ-UHFFFAOYSA-N -1 0 319.118 1.823 50 0 DDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000072275639 406877457 /nfs/dbraw/zinc/87/74/57/406877457.db2.gz DINNQOWLDYFKAV-ISVAXAHUSA-N -1 0 317.263 1.725 50 0 DDAARM CCCc1c(C)[nH]c2[n-]n(-c3nc(C)cc(C)n3)c(=O)c2c1=O ZINC000018063685 406885031 /nfs/dbraw/zinc/88/50/31/406885031.db2.gz WTBOPVSOQZZDRN-UHFFFAOYSA-N -1 0 313.361 1.675 50 0 DDAARM CN1c2ccccc2[C@]2(N=C(C(=O)[O-])c3ccccc3N2C)C1=O ZINC000022147425 406888679 /nfs/dbraw/zinc/88/86/79/406888679.db2.gz BEGMESPZANKSHG-GOSISDBHSA-N -1 0 321.336 1.840 50 0 DDAARM CC[C@@H](NS(=O)(=O)c1cccc2cc(C)cnc21)C(=O)[O-] ZINC000035186299 406969067 /nfs/dbraw/zinc/96/90/67/406969067.db2.gz RRJYJZCCLAIGCG-LLVKDONJSA-N -1 0 308.359 1.685 50 0 DDAARM C/C(=C\C(=O)[O-])C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000033558980 406962704 /nfs/dbraw/zinc/96/27/04/406962704.db2.gz XPTSSWKAOBULBM-MDZDMXLPSA-N -1 0 315.329 1.454 50 0 DDAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CC2)cc1OC ZINC000045922931 407050824 /nfs/dbraw/zinc/05/08/24/407050824.db2.gz SXSUWMPDTOUXIB-NHYWBVRUSA-N -1 0 305.330 1.840 50 0 DDAARM O=C1N2CCSC2=N[C@]1([N-]c1ncccn1)C(F)(F)F ZINC000044921706 407034012 /nfs/dbraw/zinc/03/40/12/407034012.db2.gz JHMFKTDMNHAVOQ-VIFPVBQESA-N -1 0 303.269 1.092 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc(F)cc1Cl ZINC000037410437 406988640 /nfs/dbraw/zinc/98/86/40/406988640.db2.gz IQLRCINIUSXVDM-SNVBAGLBSA-N -1 0 301.701 1.934 50 0 DDAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1ccccc1F ZINC000047328515 407073075 /nfs/dbraw/zinc/07/30/75/407073075.db2.gz RTGPMUBDEVMHHZ-UHFFFAOYSA-N -1 0 319.321 1.602 50 0 DDAARM Cn1ccnc1C(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000089756771 407147145 /nfs/dbraw/zinc/14/71/45/407147145.db2.gz QURNIRQNFQXDDN-UHFFFAOYSA-N -1 0 301.302 1.454 50 0 DDAARM CCCCS(=O)(=O)N1CCC[C@](CCOC)(C(=O)[O-])C1 ZINC000091305711 407181715 /nfs/dbraw/zinc/18/17/15/407181715.db2.gz YOWSPNZKUQUVNJ-CYBMUJFWSA-N -1 0 307.412 1.320 50 0 DDAARM Cc1ccccc1NC(=O)CC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000055166400 407197173 /nfs/dbraw/zinc/19/71/73/407197173.db2.gz YPVGADBBLAIBKD-GFCCVEGCSA-N -1 0 320.345 1.026 50 0 DDAARM COc1cccc(-c2n[nH]cc2C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000095362866 407208716 /nfs/dbraw/zinc/20/87/16/407208716.db2.gz WCUJIGMOKCIYHS-VIFPVBQESA-N -1 0 303.318 1.678 50 0 DDAARM CCNc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2ccco2)cn1 ZINC000095366545 407209781 /nfs/dbraw/zinc/20/97/81/407209781.db2.gz YGHAPUNUXFEMBW-JTQLQIEISA-N -1 0 304.306 1.447 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c2)no1 ZINC000095969595 407218709 /nfs/dbraw/zinc/21/87/09/407218709.db2.gz LOBWIULSXSUNNV-LBPRGKRZSA-N -1 0 303.318 1.884 50 0 DDAARM C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)C[C@H](C(=O)[O-])O1 ZINC000095991957 407221606 /nfs/dbraw/zinc/22/16/06/407221606.db2.gz QPRVVFPQPKNFQW-ZWNOBZJWSA-N -1 0 311.765 1.973 50 0 DDAARM Cc1[nH]c2c(-c3ccccc3)c(=O)[nH]n2c(=O)c1CCC(=O)[O-] ZINC000102569326 407324225 /nfs/dbraw/zinc/32/42/25/407324225.db2.gz NYVIKXIYFPNWIW-UHFFFAOYSA-N -1 0 313.313 1.721 50 0 DDAARM Cn1c2ccccc2c([O-])c(C(=O)NC[C@@H]2CCCO2)c1=O ZINC000100462679 407307874 /nfs/dbraw/zinc/30/78/74/407307874.db2.gz MWZQTTVAXBDOEL-JTQLQIEISA-N -1 0 302.330 1.153 50 0 DDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000101081998 407308744 /nfs/dbraw/zinc/30/87/44/407308744.db2.gz MJMPDDCRJLXVNW-WYMLVPIESA-N -1 0 313.357 1.994 50 0 DDAARM CCC[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000170592171 407445897 /nfs/dbraw/zinc/44/58/97/407445897.db2.gz BXUAJSHFIDIJLH-UONOGXRCSA-N -1 0 324.421 1.927 50 0 DDAARM CC(C)N1CC[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C1=O ZINC000236831326 407776746 /nfs/dbraw/zinc/77/67/46/407776746.db2.gz VTWRYPARCDYGPE-AWEZNQCLSA-N -1 0 318.373 1.443 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000237273762 407810393 /nfs/dbraw/zinc/81/03/93/407810393.db2.gz MPHXMOPZLFCRSY-UHFFFAOYSA-N -1 0 322.336 1.718 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000238051011 407878642 /nfs/dbraw/zinc/87/86/42/407878642.db2.gz RVTDJJPEPHHMRZ-AWEZNQCLSA-N -1 0 321.348 1.950 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)NCCc1ccc(Cl)cc1 ZINC000238092736 407888897 /nfs/dbraw/zinc/88/88/97/407888897.db2.gz UBJYZBLKFMCAJU-CYBMUJFWSA-N -1 0 310.781 1.548 50 0 DDAARM Cc1cc(NC(=O)CS(=O)(=O)C(C)(C)C)ccc1C(=O)[O-] ZINC000262953001 407984332 /nfs/dbraw/zinc/98/43/32/407984332.db2.gz MYFZJQOTSYQSDQ-UHFFFAOYSA-N -1 0 313.375 1.845 50 0 DDAARM CC(C)Oc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC000263227275 408065510 /nfs/dbraw/zinc/06/55/10/408065510.db2.gz AHZHMOHVPVYIMT-LLVKDONJSA-N -1 0 308.334 1.185 50 0 DDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1cnn2c1nc(C)cc2C ZINC000122121087 408254535 /nfs/dbraw/zinc/25/45/35/408254535.db2.gz APQCJCSYVZCKJG-NSHDSACASA-N -1 0 304.350 1.719 50 0 DDAARM CC(C)C[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000175878687 162499634 /nfs/dbraw/zinc/49/96/34/162499634.db2.gz FPRMBCNFHLPNKT-MNOVXSKESA-N -1 0 310.350 1.261 50 0 DDAARM NC(=O)c1cccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000177478920 408634197 /nfs/dbraw/zinc/63/41/97/408634197.db2.gz OYXRIJPFODLVER-ZDUSSCGKSA-N -1 0 310.309 1.614 50 0 DDAARM Cc1cc(C)c(N2C[C@@H](C(=O)NCC(=O)[O-])CC2=O)c(C)c1 ZINC000178185201 408784816 /nfs/dbraw/zinc/78/48/16/408784816.db2.gz AMJDZMOWRPFESG-LBPRGKRZSA-N -1 0 304.346 1.166 50 0 DDAARM Cc1nc2cc(F)cc(C(=O)N(C)[C@H](C)C(=O)[O-])c2nc1C ZINC000178281782 408799045 /nfs/dbraw/zinc/79/90/45/408799045.db2.gz ITPNDORZAOHQCU-SECBINFHSA-N -1 0 305.309 1.931 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000236720610 163360638 /nfs/dbraw/zinc/36/06/38/163360638.db2.gz RIWYJLHLGLEJAS-UHFFFAOYSA-N -1 0 318.373 1.744 50 0 DDAARM O=C([O-])[C@H](NC(=O)c1cnc(C2CC2)nc1)c1ccc(O)cc1 ZINC000426477624 419482714 /nfs/dbraw/zinc/48/27/14/419482714.db2.gz UVMRIAVWGDXXDY-CYBMUJFWSA-N -1 0 313.313 1.615 50 0 DDAARM O=C([O-])c1cccc(OCCNC(=O)C[C@@H]2CCCOC2)c1 ZINC000426530364 228584195 /nfs/dbraw/zinc/58/41/95/228584195.db2.gz DTYDNOXVBMDSRC-LBPRGKRZSA-N -1 0 307.346 1.697 50 0 DDAARM CO[C@@H](C)c1nc(C)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000427965061 419776736 /nfs/dbraw/zinc/77/67/36/419776736.db2.gz PHXMFTPFHIBTSS-IUCAKERBSA-N -1 0 314.363 1.085 50 0 DDAARM Cc1nc(CC(C)C)sc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299748592 229392030 /nfs/dbraw/zinc/39/20/30/229392030.db2.gz HOQJDDVQQYFJKO-JTQLQIEISA-N -1 0 312.391 1.576 50 0 DDAARM COc1cccc(C[C@H](NC(=O)[C@@H]2O[C@H](C)C[C@H]2C)C(=O)[O-])c1 ZINC000630246027 421984971 /nfs/dbraw/zinc/98/49/71/421984971.db2.gz ZUXCZZZOUFVRRA-HKCMKHECSA-N -1 0 321.373 1.621 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000583650480 422210022 /nfs/dbraw/zinc/21/00/22/422210022.db2.gz CAYPZRQGYBIWNO-LLVKDONJSA-N -1 0 304.346 1.749 50 0 DDAARM CCc1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)n(C)n1 ZINC000634804836 422657981 /nfs/dbraw/zinc/65/79/81/422657981.db2.gz VEPSYJNCUVAYQG-CYBMUJFWSA-N -1 0 319.336 1.720 50 0 DDAARM COc1ccc(CC(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)cc1 ZINC000639430518 423497102 /nfs/dbraw/zinc/49/71/02/423497102.db2.gz WIJYRJRDSAFWGG-ZDUSSCGKSA-N -1 0 319.361 1.818 50 0 DDAARM CC(=O)N[C@@H](C(=O)N1CCC[C@@H](CCC(=O)[O-])C1)C1CCCC1 ZINC000236713076 278125910 /nfs/dbraw/zinc/12/59/10/278125910.db2.gz SUKANTXIIFXWSM-XJKSGUPXSA-N -1 0 324.421 1.785 50 0 DDAARM COc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nn1 ZINC000262317415 295094519 /nfs/dbraw/zinc/09/45/19/295094519.db2.gz CEJNAGOTXFSIJR-DLOVCJGASA-N -1 0 305.334 1.343 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2C)OCC(=O)N3)no1 ZINC000004788278 301363973 /nfs/dbraw/zinc/36/39/73/301363973.db2.gz GICVPSLNUNPCTM-UHFFFAOYSA-N -1 0 323.330 1.423 50 0 DDAARM C[C@@H]1C[C@@H](C)[C@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)O1 ZINC000579127800 308509964 /nfs/dbraw/zinc/50/99/64/308509964.db2.gz BEDUWSRKBHBPOB-JTNHKYCSSA-N -1 0 307.346 1.693 50 0 DDAARM CC(C)(Cc1cccc(Cl)c1)C(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000084774496 484001985 /nfs/dbraw/zinc/00/19/85/484001985.db2.gz BPWDXZGVYSQNAM-UHFFFAOYSA-N -1 0 322.796 1.679 50 0 DDAARM CN(C)[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)c1ccccc1F ZINC000219501197 484148605 /nfs/dbraw/zinc/14/86/05/484148605.db2.gz URHKYVPYUTZWSQ-ZDUSSCGKSA-N -1 0 324.352 1.178 50 0 DDAARM O=C([O-])C[C@]1(NC(=O)c2ccc3c(c2)CCOC3)CCOC1 ZINC000659151039 484657213 /nfs/dbraw/zinc/65/72/13/484657213.db2.gz HWUGYFDGUPBGAW-MRXNPFEDSA-N -1 0 305.330 1.123 50 0 DDAARM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000299747124 534037702 /nfs/dbraw/zinc/03/77/02/534037702.db2.gz CAARBRWYKILPRY-HRDYMLBCSA-N -1 0 308.359 1.185 50 0 DDAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000004599965 696011200 /nfs/dbraw/zinc/01/12/00/696011200.db2.gz COJKTIPDXXCMAE-VHSXEESVSA-N -1 0 319.313 1.458 50 0 DDAARM N#Cc1ccc(OCC(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000254683731 698408142 /nfs/dbraw/zinc/40/81/42/698408142.db2.gz XSGGFTPLXKHSST-UHFFFAOYSA-N -1 0 323.308 1.786 50 0 DDAARM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cc(C)n[nH]2)c1 ZINC000263220189 698496582 /nfs/dbraw/zinc/49/65/82/698496582.db2.gz QMUNNDPUNQCLII-INIZCTEOSA-N -1 0 317.345 1.847 50 0 DDAARM Nc1ccc(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)cc1 ZINC000169811055 736685549 /nfs/dbraw/zinc/68/55/49/736685549.db2.gz HKGRCTFPVQYKGG-UHFFFAOYSA-N -1 0 322.390 1.618 50 0 DDAARM O=c1[n-]c([C@@H]2CCCCN2Cc2cccc3c2OCO3)n[nH]1 ZINC000585117301 771951836 /nfs/dbraw/zinc/95/18/36/771951836.db2.gz XOSJMPHUHUQQHE-NSHDSACASA-N -1 0 302.334 1.966 50 0 DDAARM O=C([N-]Oc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000585126212 771958247 /nfs/dbraw/zinc/95/82/47/771958247.db2.gz SEYYJCISTFEQJF-SSDOTTSWSA-N -1 0 324.185 1.838 50 0 DDAARM COCc1csc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)F)C2)c1 ZINC000952887871 775683579 /nfs/dbraw/zinc/68/35/79/775683579.db2.gz DEMIKNFFUJCBHH-RKDXNWHRSA-N -1 0 319.329 1.932 50 0 DDAARM O=C([O-])C1(NC(=O)C[C@@H]2CCc3ccccc32)CCOCC1 ZINC000095520692 185377098 /nfs/dbraw/zinc/37/70/98/185377098.db2.gz YWLIWLSUBZTNNO-ZDUSSCGKSA-N -1 0 303.358 1.857 50 0 DDAARM COc1cc[nH]c(=NNC(=O)[C@H]2C[C@H]2c2ccccc2F)n1 ZINC000073545965 539033513 /nfs/dbraw/zinc/03/35/13/539033513.db2.gz ICRMYEXSBXZTEX-QWRGUYRKSA-N -1 0 302.309 1.871 50 0 DDAARM CC[C@@](C)(NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)[O-] ZINC000095424533 185361436 /nfs/dbraw/zinc/36/14/36/185361436.db2.gz BONUXYHUNUJNFM-OAHLLOKOSA-N -1 0 304.350 1.995 50 0 DDAARM C[C@H](Nc1nc(-c2ccncc2)nc2c1cnn2C)c1nnn[n-]1 ZINC000072479395 191179191 /nfs/dbraw/zinc/17/91/91/191179191.db2.gz TVFGPGNVHULWBP-QMMMGPOBSA-N -1 0 322.336 1.112 50 0 DDAARM CCCN(C)S(=O)(=O)[N-]C(=O)c1cc2cccc(F)c2o1 ZINC000124705797 354041026 /nfs/dbraw/zinc/04/10/26/354041026.db2.gz KTMVETVSKBZAIQ-UHFFFAOYSA-N -1 0 314.338 1.888 50 0 DDAARM CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnco3)c2)CC1 ZINC000159041463 354232497 /nfs/dbraw/zinc/23/24/97/354232497.db2.gz XTAZSJNMDFDIMR-UHFFFAOYSA-N -1 0 307.331 1.342 50 0 DDAARM CN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000237182308 202178450 /nfs/dbraw/zinc/17/84/50/202178450.db2.gz LMURUUYBWVXCNV-UHFFFAOYSA-N -1 0 317.320 1.657 50 0 DDAARM COc1ccccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000005885301 181292903 /nfs/dbraw/zinc/29/29/03/181292903.db2.gz XYHYOENLWQDKLF-UHFFFAOYSA-N -1 0 306.343 1.595 50 0 DDAARM NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000237720806 202337665 /nfs/dbraw/zinc/33/76/65/202337665.db2.gz VYWRSIBXASXFBO-CYBMUJFWSA-N -1 0 304.346 1.645 50 0 DDAARM Cn1cnnc1C1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000237946033 202399741 /nfs/dbraw/zinc/39/97/41/202399741.db2.gz ANUWJTRELSHHRY-UHFFFAOYSA-N -1 0 314.345 1.533 50 0 DDAARM CCc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000276105747 212678130 /nfs/dbraw/zinc/67/81/30/212678130.db2.gz JQBKIKOCNDEFAE-FZMZJTMJSA-N -1 0 311.403 1.980 50 0 DDAARM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000006623186 181362260 /nfs/dbraw/zinc/36/22/60/181362260.db2.gz CTPADENNZVKDHY-UHFFFAOYSA-N -1 0 312.297 1.865 50 0 DDAARM C/C=C/C=C/C(=O)OCC(=O)[N-]C(=O)c1ccccc1OC ZINC000006642364 181364423 /nfs/dbraw/zinc/36/44/23/181364423.db2.gz RHGCZQDZOJFCFC-COBAKMAKSA-N -1 0 303.314 1.627 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2cc(OC)cc(OC)c2)cn1 ZINC000006700272 181372711 /nfs/dbraw/zinc/37/27/11/181372711.db2.gz BORVCDFPERCDQT-UHFFFAOYSA-N -1 0 311.363 1.721 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(Cl)ccc2F)CCO1 ZINC000091292433 193033061 /nfs/dbraw/zinc/03/30/61/193033061.db2.gz KUNBISGYIKXMCB-VIFPVBQESA-N -1 0 301.701 1.795 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1C(=O)[O-] ZINC000091380819 193048667 /nfs/dbraw/zinc/04/86/67/193048667.db2.gz GPGWVMONMOSQHS-VXGBXAGGSA-N -1 0 305.330 1.988 50 0 DDAARM CN(C)c1nsc(N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)n1 ZINC000091425801 193053876 /nfs/dbraw/zinc/05/38/76/193053876.db2.gz PFIVBLCNHJQEMK-NXEZZACHSA-N -1 0 319.390 1.304 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091587090 193075826 /nfs/dbraw/zinc/07/58/26/193075826.db2.gz AZGUCFNUSPWLNK-QWHCGFSZSA-N -1 0 317.341 1.842 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000092080485 193155408 /nfs/dbraw/zinc/15/54/08/193155408.db2.gz VSMKUOWQZKUIHM-WDEREUQCSA-N -1 0 314.363 1.023 50 0 DDAARM CC[C@@H](OC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262203433 203228745 /nfs/dbraw/zinc/22/87/45/203228745.db2.gz SLGYWOWOHODXNH-UONOGXRCSA-N -1 0 304.346 1.705 50 0 DDAARM COc1c(C)cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1C ZINC000263248844 203448307 /nfs/dbraw/zinc/44/83/07/203448307.db2.gz GWERQWFNZODZEI-UHFFFAOYSA-N -1 0 307.346 1.364 50 0 DDAARM CCCOc1ccc([C@@H]2CC(C(=O)[O-])=NC(=O)N2)cc1OC ZINC000019942589 182168866 /nfs/dbraw/zinc/16/88/66/182168866.db2.gz WSAZCNHIMPHMPI-JTQLQIEISA-N -1 0 306.318 1.806 50 0 DDAARM CC(=O)Nc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020616427 182239677 /nfs/dbraw/zinc/23/96/77/182239677.db2.gz SCYQEGDQXASFJO-UHFFFAOYSA-N -1 0 302.290 1.329 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1C ZINC000021883839 182295891 /nfs/dbraw/zinc/29/58/91/182295891.db2.gz OEQHCZHSUHGVBZ-UHFFFAOYSA-N -1 0 309.347 1.696 50 0 DDAARM C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000036722483 182838088 /nfs/dbraw/zinc/83/80/88/182838088.db2.gz MBKPMQYFUMHDOR-GFCCVEGCSA-N -1 0 317.128 1.845 50 0 DDAARM CC1=C(C)C[C@H](C(=O)NCCCn2ccnc2)[C@@H](C(=O)[O-])C1 ZINC000039349668 183017115 /nfs/dbraw/zinc/01/71/15/183017115.db2.gz WCWGDJNDACBHMG-KBPBESRZSA-N -1 0 305.378 1.837 50 0 DDAARM COc1ccc(-c2nc(C)c(C(=O)NCC(=O)[O-])s2)cc1 ZINC000040266205 183049297 /nfs/dbraw/zinc/04/92/97/183049297.db2.gz NIJBUSBWHKEPSW-UHFFFAOYSA-N -1 0 306.343 1.942 50 0 DDAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)[N-]S(C)(=O)=O ZINC000040544060 183099021 /nfs/dbraw/zinc/09/90/21/183099021.db2.gz LDPUFZHGJZWBFT-CYBMUJFWSA-N -1 0 308.359 1.026 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000043702240 183382010 /nfs/dbraw/zinc/38/20/10/183382010.db2.gz CJBMZANZQXYFRR-LBPRGKRZSA-N -1 0 309.749 1.684 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000271884695 209295457 /nfs/dbraw/zinc/29/54/57/209295457.db2.gz AZOYILTWXLBSCA-HNNXBMFYSA-N -1 0 322.386 1.013 50 0 DDAARM O=C([O-])c1n[nH]cc1[C@@H]1CC(=O)Nc2c1cnn2-c1ccccc1 ZINC000067675349 304216478 /nfs/dbraw/zinc/21/64/78/304216478.db2.gz YORNKXNISBJBJU-JTQLQIEISA-N -1 0 323.312 1.768 50 0 DDAARM O=C([O-])c1cc(-c2c(F)cccc2F)nc2[nH]c(=O)[nH]c(=O)c12 ZINC000044978485 304218843 /nfs/dbraw/zinc/21/88/43/304218843.db2.gz MDVFAGVBWVBJIX-UHFFFAOYSA-N -1 0 319.223 1.667 50 0 DDAARM CCc1ccc([N-]S(=O)(=O)c2cnn(C)c2)c(C(=O)OC)c1 ZINC000057820886 184055276 /nfs/dbraw/zinc/05/52/76/184055276.db2.gz QVYGJXFUURDARM-UHFFFAOYSA-N -1 0 323.374 1.570 50 0 DDAARM COc1ccc([C@H](C)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000269023305 207174232 /nfs/dbraw/zinc/17/42/32/207174232.db2.gz JHPXIBGQEGNDBD-SMDDNHRTSA-N -1 0 307.346 1.501 50 0 DDAARM O=C(NCC1(c2cccc(F)c2)CCCCC1)c1n[nH]c(=O)[n-]1 ZINC000063112199 184271100 /nfs/dbraw/zinc/27/11/00/184271100.db2.gz HESAOAXYNIJPTG-UHFFFAOYSA-N -1 0 318.352 1.869 50 0 DDAARM CCc1nc2c([N-]S(=O)(=O)c3c(C)noc3C)cccn2n1 ZINC000065283976 184321414 /nfs/dbraw/zinc/32/14/14/184321414.db2.gz UUXDMGARDCFAJD-UHFFFAOYSA-N -1 0 321.362 1.697 50 0 DDAARM CC(C)CCn1c2ccc(C(=O)[O-])cc2n(CCC(N)=O)c1=O ZINC000065434501 184344657 /nfs/dbraw/zinc/34/46/57/184344657.db2.gz UIHZOVWDLFBPDN-UHFFFAOYSA-N -1 0 319.361 1.423 50 0 DDAARM O=C(CNC(=O)c1ccc2[n-]c(=S)oc2c1)N1CCCCC1 ZINC000118785529 194924513 /nfs/dbraw/zinc/92/45/13/194924513.db2.gz VIJBXVSFZXACGS-UHFFFAOYSA-N -1 0 319.386 1.859 50 0 DDAARM O=C([O-])CCN(C(=O)Cc1ccc(F)cc1)C1CCOCC1 ZINC000238065676 257238100 /nfs/dbraw/zinc/23/81/00/257238100.db2.gz LQDCRHFOQLPNSC-UHFFFAOYSA-N -1 0 309.337 1.851 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000071282672 257253731 /nfs/dbraw/zinc/25/37/31/257253731.db2.gz BATUTGLUDJGLDN-WQAKAFBOSA-N -1 0 305.330 1.299 50 0 DDAARM O=C([O-])c1cnn2cc(CN3CCOC4(CCCC4)C3)cnc12 ZINC000097698676 304280275 /nfs/dbraw/zinc/28/02/75/304280275.db2.gz RKEOUQDEZUPZQS-UHFFFAOYSA-N -1 0 316.361 1.573 50 0 DDAARM NC(=O)N1CCC[C@@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000121143589 195298885 /nfs/dbraw/zinc/29/88/85/195298885.db2.gz BCUWJGSSMNXOLP-MRVPVSSYSA-N -1 0 320.374 1.846 50 0 DDAARM CCOC(=O)c1cnn2c1nc(C(=O)[O-])cc2C(F)(F)F ZINC000072209598 285973828 /nfs/dbraw/zinc/97/38/28/285973828.db2.gz GOKHPSIXIXSCHK-UHFFFAOYSA-N -1 0 303.196 1.623 50 0 DDAARM Cc1nc(N[C@@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000222841113 407560234 /nfs/dbraw/zinc/56/02/34/407560234.db2.gz JVIUOOVAQGKTIY-UBHAPETDSA-N -1 0 323.784 1.802 50 0 DDAARM C[C@@H]1CCc2sc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2C1 ZINC000088373651 296766938 /nfs/dbraw/zinc/76/69/38/296766938.db2.gz UBOATGWKARPJEY-MWLCHTKSSA-N -1 0 309.387 1.799 50 0 DDAARM COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])sc1C ZINC000000117981 406623011 /nfs/dbraw/zinc/62/30/11/406623011.db2.gz RLOIEFASBYYMOH-JGVFFNPUSA-N -1 0 312.347 1.216 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)nc2)cc1 ZINC000007323473 406754970 /nfs/dbraw/zinc/75/49/70/406754970.db2.gz YPDCLNKFZRERAB-UHFFFAOYSA-N -1 0 322.342 1.678 50 0 DDAARM O=C(Nc1nnn[n-]1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000071883649 406861614 /nfs/dbraw/zinc/86/16/14/406861614.db2.gz BPWJBSYLSDZSGW-UHFFFAOYSA-N -1 0 324.131 1.945 50 0 DDAARM COc1cc(C[C@H]2CC(C(=O)[O-])=NO2)c(OC)c2c1OCO2 ZINC000012418101 406844608 /nfs/dbraw/zinc/84/46/08/406844608.db2.gz NGPHCSFRJLXORY-QMMMGPOBSA-N -1 0 309.274 1.205 50 0 DDAARM CN(C)C(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000027057808 406908127 /nfs/dbraw/zinc/90/81/27/406908127.db2.gz NXOPAYXVNLDBCQ-VXGBXAGGSA-N -1 0 316.357 1.994 50 0 DDAARM CCC[C@](C)(NS(=O)(=O)c1ccc2c(c1)CCO2)C(=O)[O-] ZINC000036340068 406979701 /nfs/dbraw/zinc/97/97/01/406979701.db2.gz NRZCATHOCUNSOG-AWEZNQCLSA-N -1 0 313.375 1.543 50 0 DDAARM Cc1cc(=O)n2nc(CC(=O)N[C@H]3CC[C@@H]4CCC[C@@H]43)[n-]c2n1 ZINC000077540284 406995887 /nfs/dbraw/zinc/99/58/87/406995887.db2.gz PIGDOOYHLOJVLY-SRVKXCTJSA-N -1 0 315.377 1.376 50 0 DDAARM COc1ccc(OCC(=O)N(CCC(=O)[O-])CC2CC2)cc1 ZINC000089453751 407134740 /nfs/dbraw/zinc/13/47/40/407134740.db2.gz LPUKWPPILLMVIL-UHFFFAOYSA-N -1 0 307.346 1.787 50 0 DDAARM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000089701966 407144484 /nfs/dbraw/zinc/14/44/84/407144484.db2.gz BKZDNCNZNJZDRG-UHFFFAOYSA-N -1 0 300.723 1.755 50 0 DDAARM CCc1nc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)no1 ZINC000095994139 407221576 /nfs/dbraw/zinc/22/15/76/407221576.db2.gz MHGZQOCHUAVUAX-UHFFFAOYSA-N -1 0 319.346 1.619 50 0 DDAARM CC(C)(C(=O)[O-])c1cnc(N2CCCC2)nc1N1CCOCC1 ZINC000096153825 407241822 /nfs/dbraw/zinc/24/18/22/407241822.db2.gz HQZCKUKRXYUDMH-UHFFFAOYSA-N -1 0 320.393 1.276 50 0 DDAARM CC(C)Oc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000101675757 407314458 /nfs/dbraw/zinc/31/44/58/407314458.db2.gz VOWIGAMCWCSRNN-GFCCVEGCSA-N -1 0 301.306 1.444 50 0 DDAARM CC(C)CN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000103073995 407330501 /nfs/dbraw/zinc/33/05/01/407330501.db2.gz MVTCZJGZUZOWON-UHFFFAOYSA-N -1 0 305.403 1.950 50 0 DDAARM C[C@H](CCNC(=O)CSc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000253425785 407446242 /nfs/dbraw/zinc/44/62/42/407446242.db2.gz HLGFVWBXRVNPBF-SNVBAGLBSA-N -1 0 306.391 1.500 50 0 DDAARM COc1ccc2cc(CN3CCOC[C@@H]3C(=O)[O-])c(=O)[nH]c2c1 ZINC000253536160 407456262 /nfs/dbraw/zinc/45/62/62/407456262.db2.gz JSMFVFUPSUCXDJ-CQSZACIVSA-N -1 0 318.329 1.234 50 0 DDAARM COc1ccc(F)c(F)c1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000220531155 407542305 /nfs/dbraw/zinc/54/23/05/407542305.db2.gz QNCFUPYKNBTCGT-UHFFFAOYSA-N -1 0 315.272 1.337 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2c(Cl)nc3ccccn32)C1 ZINC000128514372 407545038 /nfs/dbraw/zinc/54/50/38/407545038.db2.gz NTKINRVJAJKEHY-VIFPVBQESA-N -1 0 307.737 1.925 50 0 DDAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccoc1Cl ZINC000225789240 407606348 /nfs/dbraw/zinc/60/63/48/407606348.db2.gz BOLDGOANGCOWSL-RQJHMYQMSA-N -1 0 323.754 1.190 50 0 DDAARM CCO[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262081563 407734458 /nfs/dbraw/zinc/73/44/58/407734458.db2.gz BFCWAANGOFAZEQ-HZMBPMFUSA-N -1 0 304.346 1.705 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000237958654 407856517 /nfs/dbraw/zinc/85/65/17/407856517.db2.gz FYDLJFXTPYCUFR-SECBINFHSA-N -1 0 322.748 1.426 50 0 DDAARM O=C([O-])C1(NC(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000237965873 407857708 /nfs/dbraw/zinc/85/77/08/407857708.db2.gz ALOIPOHZXWWCBI-UHFFFAOYSA-N -1 0 306.293 1.300 50 0 DDAARM O=C([O-])COc1ccc(CCNC(=O)[C@@H]2C[C@H]2C2CC2)cc1 ZINC000237987840 407864251 /nfs/dbraw/zinc/86/42/51/407864251.db2.gz SUUXWZPYJNVKFW-LSDHHAIUSA-N -1 0 303.358 1.855 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000238070543 407883194 /nfs/dbraw/zinc/88/31/94/407883194.db2.gz RFQLJJDEEOFEFN-CQSZACIVSA-N -1 0 317.320 1.630 50 0 DDAARM O=C([O-])CN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)C1CC1 ZINC000238080761 407887380 /nfs/dbraw/zinc/88/73/80/407887380.db2.gz DAXSIHRIKLVLJT-NSHDSACASA-N -1 0 306.293 1.327 50 0 DDAARM O=C([O-])CN(C(=O)Cc1cccc(Cl)c1)C1CCOCC1 ZINC000238099723 407889222 /nfs/dbraw/zinc/88/92/22/407889222.db2.gz KRSFSHSPUDEHKR-UHFFFAOYSA-N -1 0 311.765 1.975 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCO1 ZINC000238122889 407894104 /nfs/dbraw/zinc/89/41/04/407894104.db2.gz XHRBPGKKVJQEAW-OAHLLOKOSA-N -1 0 316.357 1.803 50 0 DDAARM O=C([O-])CCCCNC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000238180121 407896834 /nfs/dbraw/zinc/89/68/34/407896834.db2.gz YFLUUVMVKMTPCB-ZDUSSCGKSA-N -1 0 324.421 1.929 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CCO1 ZINC000262896964 407963978 /nfs/dbraw/zinc/96/39/78/407963978.db2.gz AXYCNKNAVDBBHT-LBPRGKRZSA-N -1 0 308.721 1.747 50 0 DDAARM CCCCc1ccc(CN2CCN(CC(=O)[O-])C(=O)C2)s1 ZINC000244763802 407937671 /nfs/dbraw/zinc/93/76/71/407937671.db2.gz OVWXINHZCAHLMG-UHFFFAOYSA-N -1 0 310.419 1.820 50 0 DDAARM CC[C@H](Cc1ccc(NS(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000184903850 408713907 /nfs/dbraw/zinc/71/39/07/408713907.db2.gz YLEMIHMCJLBJQX-LLVKDONJSA-N -1 0 300.380 1.558 50 0 DDAARM Cc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1-n1cncn1 ZINC000262781513 163878056 /nfs/dbraw/zinc/87/80/56/163878056.db2.gz NJGKTRGCEZWUSR-OAHLLOKOSA-N -1 0 318.308 1.215 50 0 DDAARM CCO[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000263171530 163925300 /nfs/dbraw/zinc/92/53/00/163925300.db2.gz KQLMAVHSLQRMQQ-SYQHCUMBSA-N -1 0 311.378 1.140 50 0 DDAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cccc([C@H]3CCOC3)c2)C1 ZINC000263360965 163956091 /nfs/dbraw/zinc/95/60/91/163956091.db2.gz UDYFVSIHYQFTRN-BBRMVZONSA-N -1 0 307.321 1.829 50 0 DDAARM Cc1ccc2nc(CN3CCc4[nH]nc(C(=O)[O-])c4C3)cn2c1 ZINC000299788288 410626772 /nfs/dbraw/zinc/62/67/72/410626772.db2.gz RRSSYCVQSCEOLB-UHFFFAOYSA-N -1 0 311.345 1.622 50 0 DDAARM CNS(=O)(=O)c1cc(NC(=O)[C@H](C)C(C)(C)C)ccc1[O-] ZINC000330765717 410892110 /nfs/dbraw/zinc/89/21/10/410892110.db2.gz KEXNMYOCMMZLNB-VIFPVBQESA-N -1 0 314.407 1.921 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(SC)nn32)cc1 ZINC000101353777 418493993 /nfs/dbraw/zinc/49/39/93/418493993.db2.gz RXXOOOAUUAHWSL-LLVKDONJSA-N -1 0 318.358 1.992 50 0 DDAARM O=C([O-])CC1(NC(=O)c2cc3ccccn3c2)CCOCC1 ZINC000119464220 418501856 /nfs/dbraw/zinc/50/18/56/418501856.db2.gz PIHTVWWIRVAMCZ-UHFFFAOYSA-N -1 0 302.330 1.693 50 0 DDAARM Cc1ccc2cccnc2c1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000362262724 418751266 /nfs/dbraw/zinc/75/12/66/418751266.db2.gz PPWHCDOQZRGQME-UHFFFAOYSA-N -1 0 308.359 1.638 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccccc1-n1cnnc1 ZINC000426471666 419476849 /nfs/dbraw/zinc/47/68/49/419476849.db2.gz RYYYWEZVNUEYHN-ZDUSSCGKSA-N -1 0 300.318 1.347 50 0 DDAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299750504 229392640 /nfs/dbraw/zinc/39/26/40/229392640.db2.gz NPOXPPSXYBAZEU-NSHDSACASA-N -1 0 320.301 1.098 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000493134224 420764907 /nfs/dbraw/zinc/76/49/07/420764907.db2.gz UXLHKQIVQHSLRQ-KXQLTZBTSA-N -1 0 321.329 1.029 50 0 DDAARM O=C([O-])[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccccc1 ZINC000630446712 422109058 /nfs/dbraw/zinc/10/90/58/422109058.db2.gz UVHJMQBOZGHSMA-MNOVXSKESA-N -1 0 319.329 1.777 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000583652236 422212959 /nfs/dbraw/zinc/21/29/59/422212959.db2.gz BWMMYQYEHLSFKZ-HNNXBMFYSA-N -1 0 318.308 1.343 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cnn3ccccc23)c1C ZINC000585118861 422308365 /nfs/dbraw/zinc/30/83/65/422308365.db2.gz FRJXPRAIQCVMEX-UHFFFAOYSA-N -1 0 319.390 1.968 50 0 DDAARM NC(=O)C[C@H]1CCCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000606441893 422458912 /nfs/dbraw/zinc/45/89/12/422458912.db2.gz RIVPSTTVLRIZPT-DEBLGDTFSA-N -1 0 316.357 1.655 50 0 DDAARM O=C([O-])CN(C(=O)/C=C\c1ccccc1F)C1CCOCC1 ZINC000606442017 422459193 /nfs/dbraw/zinc/45/91/93/422459193.db2.gz LGPOVZKPPVTCJN-WAYWQWQTSA-N -1 0 307.321 1.931 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1nc(C(F)F)cc1C1CC1 ZINC000634804170 422656434 /nfs/dbraw/zinc/65/64/34/422656434.db2.gz XZQCRAXLUCFXMX-SNVBAGLBSA-N -1 0 313.304 1.774 50 0 DDAARM COCc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000653495730 423499447 /nfs/dbraw/zinc/49/94/47/423499447.db2.gz WWKQUJAZQDTCFW-UHFFFAOYSA-N -1 0 313.375 1.461 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)OCO3)CCO1 ZINC000322022028 271028543 /nfs/dbraw/zinc/02/85/43/271028543.db2.gz UMGUEVPHYYGRTJ-DTRQGZQOSA-N -1 0 319.313 1.131 50 0 DDAARM CC[C@H](NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O)C(=O)[O-] ZINC000237013176 287948527 /nfs/dbraw/zinc/94/85/27/287948527.db2.gz IZUAFGCHBMLQNL-LSDHHAIUSA-N -1 0 318.373 1.502 50 0 DDAARM CC(=O)N1CCC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C1 ZINC000236617482 278019777 /nfs/dbraw/zinc/01/97/77/278019777.db2.gz PQHBMLWWFABKLJ-AJNGGQMLSA-N -1 0 322.405 1.489 50 0 DDAARM CC(=O)N1CSC[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000299740494 278064442 /nfs/dbraw/zinc/06/44/42/278064442.db2.gz BDGSOABPXUEFGV-ZDUSSCGKSA-N -1 0 322.386 1.021 50 0 DDAARM Cn1cc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c2ccccc21 ZINC000237763329 281884868 /nfs/dbraw/zinc/88/48/68/281884868.db2.gz QTYLTAPXWKYDID-CYBMUJFWSA-N -1 0 316.357 1.423 50 0 DDAARM COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000004311969 295156427 /nfs/dbraw/zinc/15/64/27/295156427.db2.gz SMLSGZWTQNCHJF-OQMKEHIESA-N -1 0 301.298 1.066 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])C2 ZINC000299749208 295268149 /nfs/dbraw/zinc/26/81/49/295268149.db2.gz JLNXXEDKNFMCEF-GXTWGEPZSA-N -1 0 319.357 1.712 50 0 DDAARM Cc1cc(F)cc2[nH]c(C(=O)N3CCOC[C@H]3C(=O)[O-])cc21 ZINC000262418508 301305487 /nfs/dbraw/zinc/30/54/87/301305487.db2.gz CFYJLANZXQMIDF-ZDUSSCGKSA-N -1 0 306.293 1.541 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC000530142249 307586136 /nfs/dbraw/zinc/58/61/36/307586136.db2.gz BEHALLKSXQAJKM-PHIMTYICSA-N -1 0 315.395 1.004 50 0 DDAARM COc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000564882759 308010316 /nfs/dbraw/zinc/01/03/16/308010316.db2.gz NHDLFFOIMDBZAT-UHFFFAOYSA-N -1 0 307.346 1.791 50 0 DDAARM NC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000195563612 325714638 /nfs/dbraw/zinc/71/46/38/325714638.db2.gz RSUOLTUYOWHKDL-UHFFFAOYSA-N -1 0 320.295 1.798 50 0 DDAARM NC(=O)C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000073960487 483946490 /nfs/dbraw/zinc/94/64/90/483946490.db2.gz DAMWHPGFWMEFKM-SNVBAGLBSA-N -1 0 305.359 1.874 50 0 DDAARM Cc1ncc(S(=O)(=O)[N-]c2cnc3c(c2)c(C)nn3C)s1 ZINC000084067846 483988594 /nfs/dbraw/zinc/98/85/94/483988594.db2.gz CPHUWMSHIKEFPE-UHFFFAOYSA-N -1 0 323.403 1.842 50 0 DDAARM COc1ccccc1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659201177 484683973 /nfs/dbraw/zinc/68/39/73/484683973.db2.gz JAYSQQZVPRZOON-UHFFFAOYSA-N -1 0 303.318 1.964 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000299753414 534539491 /nfs/dbraw/zinc/53/94/91/534539491.db2.gz YEAPBEIDQFSODC-SNVBAGLBSA-N -1 0 308.315 1.329 50 0 DDAARM O=C([O-])CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CC1 ZINC000238093406 527604750 /nfs/dbraw/zinc/60/47/50/527604750.db2.gz ZHNKWQBBLCTCHL-UHFFFAOYSA-N -1 0 324.768 1.419 50 0 DDAARM CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000299753663 528604967 /nfs/dbraw/zinc/60/49/67/528604967.db2.gz YXKIJSHCGUWZHT-WCQGTBRESA-N -1 0 307.346 1.992 50 0 DDAARM CCCS(=O)(=O)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000299751876 528795854 /nfs/dbraw/zinc/79/58/54/528795854.db2.gz SBXXXCVRPIXPEV-SRVKXCTJSA-N -1 0 317.407 1.056 50 0 DDAARM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299750879 528885968 /nfs/dbraw/zinc/88/59/68/528885968.db2.gz OOPCIZIMFAFIFR-QWRGUYRKSA-N -1 0 315.329 1.405 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)COc2ccc(F)cc2)n1 ZINC000220158163 563843474 /nfs/dbraw/zinc/84/34/74/563843474.db2.gz GTQIZIRYGITJQK-UHFFFAOYSA-N -1 0 324.333 1.718 50 0 DDAARM CCCC[C@H](CC(=O)[O-])NC(=O)CCn1c(C)cc(C)nc1=O ZINC000055042391 696281239 /nfs/dbraw/zinc/28/12/39/696281239.db2.gz IQJVHBSXKLUHLX-CYBMUJFWSA-N -1 0 323.393 1.400 50 0 DDAARM Cc1cc2ncc(C(=O)N[C@@H](C)C3=CCCCC3)c(=O)n2[n-]1 ZINC000825292204 759237871 /nfs/dbraw/zinc/23/78/71/759237871.db2.gz XNSRZEWMGGCEIA-NSHDSACASA-N -1 0 300.362 1.950 50 0 DDAARM C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CCCCC1 ZINC000828479664 759662536 /nfs/dbraw/zinc/66/25/36/759662536.db2.gz FPWYYHXCQZFVDT-NSHDSACASA-N -1 0 316.423 1.506 50 0 DDAARM O=C([O-])[C@@H](NS(=O)(=O)CCc1ccccc1)c1ccccc1 ZINC000314375174 231130231 /nfs/dbraw/zinc/13/02/31/231130231.db2.gz SJWFNBMWYUUPDJ-HNNXBMFYSA-N -1 0 319.382 1.974 50 0 DDAARM N#Cc1ccccc1OCC(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000252615633 539274662 /nfs/dbraw/zinc/27/46/62/539274662.db2.gz JTXWRHGFDYVLPN-UHFFFAOYSA-N -1 0 323.308 1.786 50 0 DDAARM Cc1c2cc(F)ccc2oc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000261666000 539275276 /nfs/dbraw/zinc/27/52/76/539275276.db2.gz JPHDYCWWLVCFSI-ZETCQYMHSA-N -1 0 301.295 1.632 50 0 DDAARM CCc1nn(C)c(CC)c1CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263092669 539276000 /nfs/dbraw/zinc/27/60/00/539276000.db2.gz CEWDWAPBXCXNSD-ZYHUDNBSSA-N -1 0 307.394 1.267 50 0 DDAARM O=C([O-])CCNC(=O)NCCOc1ccccc1C(F)(F)F ZINC000263249276 539276069 /nfs/dbraw/zinc/27/60/69/539276069.db2.gz OSRXFVIXSHSYJL-UHFFFAOYSA-N -1 0 320.267 1.858 50 0 DDAARM CC(C)(C)/C=C/[C@H](C(=O)[O-])N1CCN(c2cnccn2)CC1 ZINC000095391196 185351568 /nfs/dbraw/zinc/35/15/68/185351568.db2.gz HVBUAVVTJMAMLC-MUBLQREKSA-N -1 0 304.394 1.654 50 0 DDAARM CC[C@@H](C)C(=O)NCC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000095425248 185361600 /nfs/dbraw/zinc/36/16/00/185361600.db2.gz SZYHLZBMNUXHJM-SNVBAGLBSA-N -1 0 322.361 1.559 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000095441722 185366632 /nfs/dbraw/zinc/36/66/32/185366632.db2.gz QLMIMGQSEAJPNS-GFCCVEGCSA-N -1 0 320.324 1.471 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)ccc21 ZINC000236590809 201931191 /nfs/dbraw/zinc/93/11/91/201931191.db2.gz TXCRGPIYNTYQHE-QGZVFWFLSA-N -1 0 316.357 1.532 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000236663608 201954580 /nfs/dbraw/zinc/95/45/80/201954580.db2.gz OJBSQPDPSXRBBE-CQSZACIVSA-N -1 0 304.346 1.402 50 0 DDAARM Cc1cn(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)cn1 ZINC000072147144 191053148 /nfs/dbraw/zinc/05/31/48/191053148.db2.gz IVGAFNGDNYYCIG-UHFFFAOYSA-N -1 0 323.374 1.566 50 0 DDAARM O=C([N-]S(=O)(=O)c1cnccn1)C1(c2ccc(F)cc2)CC1 ZINC000152431488 186071568 /nfs/dbraw/zinc/07/15/68/186071568.db2.gz DGIUSVOLMWFESF-UHFFFAOYSA-N -1 0 321.333 1.152 50 0 DDAARM CCn1nnc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)ccc21 ZINC000072277013 191098160 /nfs/dbraw/zinc/09/81/60/191098160.db2.gz NTYNEJCRUSWTSN-UHFFFAOYSA-N -1 0 316.361 1.969 50 0 DDAARM C[C@@H](CN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C1CC1)C(=O)[O-] ZINC000237453680 186292027 /nfs/dbraw/zinc/29/20/27/186292027.db2.gz FEHAPPKXQCXCIQ-RYUDHWBXSA-N -1 0 322.405 1.489 50 0 DDAARM COc1ncccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262856913 186314176 /nfs/dbraw/zinc/31/41/76/186314176.db2.gz YIHUNXUNDGGTGO-UHFFFAOYSA-N -1 0 304.306 1.359 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2ccc(F)cn2)(C(=O)[O-])C1(C)C ZINC000262858064 186314255 /nfs/dbraw/zinc/31/42/55/186314255.db2.gz YMGUKWACYGNJLT-NHYWBVRUSA-N -1 0 310.325 1.609 50 0 DDAARM O=C(OCCOCCOCCO)c1ccc([O-])c(Cl)c1 ZINC000075279926 353357361 /nfs/dbraw/zinc/35/73/61/353357361.db2.gz UKRPCEBCBDZLDV-UHFFFAOYSA-N -1 0 304.726 1.228 50 0 DDAARM CCCn1c(CCC(=O)[O-])nc2cc(S(N)(=O)=O)ccc21 ZINC000003434766 181018928 /nfs/dbraw/zinc/01/89/28/181018928.db2.gz ODHYOZKMIDLFGM-UHFFFAOYSA-N -1 0 311.363 1.111 50 0 DDAARM Cc1c(C)c2ccc(OCC(=O)NCC(=O)[O-])c(C)c2oc1=O ZINC000004044604 181066889 /nfs/dbraw/zinc/06/68/89/181066889.db2.gz FGILJSCZBNBISL-UHFFFAOYSA-N -1 0 319.313 1.298 50 0 biogenic DDAARM Cc1c2c(cc(=O)n1C)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000138028539 354120531 /nfs/dbraw/zinc/12/05/31/354120531.db2.gz ICYKNORTFCOKGJ-UHFFFAOYSA-O -1 0 313.362 1.190 50 0 DDAARM CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000004200435 181084447 /nfs/dbraw/zinc/08/44/47/181084447.db2.gz BJOWPZCLJYDDMY-UHFFFAOYSA-N -1 0 308.153 1.398 50 0 DDAARM CC(C)NS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000004294655 181093626 /nfs/dbraw/zinc/09/36/26/181093626.db2.gz FNCHJMYCKRUTPS-UHFFFAOYSA-N -1 0 322.180 1.834 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ncc(Br)s2)O1 ZINC000222482432 354315175 /nfs/dbraw/zinc/31/51/75/354315175.db2.gz OUAJPWVGKIJDIN-UHNVWZDZSA-N -1 0 321.152 1.476 50 0 DDAARM CN1C(=O)/C(=C/c2ccccc2OCC(=O)[O-])N(C)C1=S ZINC000004894632 181169059 /nfs/dbraw/zinc/16/90/59/181169059.db2.gz KPDLJYZDGNBZFX-YFHOEESVSA-N -1 0 306.343 1.180 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)n1 ZINC000237701069 202331510 /nfs/dbraw/zinc/33/15/10/202331510.db2.gz JGDUYRJUCZUPSV-LBPRGKRZSA-N -1 0 301.302 1.592 50 0 DDAARM CCn1c(Cn2cc(Cl)c(C)n2)nnc1SCC(=O)[O-] ZINC000006125730 181314437 /nfs/dbraw/zinc/31/44/37/181314437.db2.gz XJSJACCYYJMQJZ-UHFFFAOYSA-N -1 0 315.786 1.681 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000092625 304106136 /nfs/dbraw/zinc/10/61/36/304106136.db2.gz JDTVYLYLRFCWMK-NSHDSACASA-N -1 0 303.767 1.968 50 0 DDAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1coc2ccccc12 ZINC000220650720 201578400 /nfs/dbraw/zinc/57/84/00/201578400.db2.gz MQDMJDHPIPPAOC-OCCSQVGLSA-N -1 0 319.313 1.421 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnc(-c2ccncc2)s1 ZINC000262140157 203210798 /nfs/dbraw/zinc/21/07/98/203210798.db2.gz PIVDSTZFMNRALA-SNVBAGLBSA-N -1 0 303.343 1.894 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cn(C)nc1C ZINC000263306014 203454265 /nfs/dbraw/zinc/45/42/65/203454265.db2.gz FEHJWUSKGXJFLR-UHFFFAOYSA-N -1 0 317.345 1.408 50 0 DDAARM Cn1nc(C2CCCC2)cc1NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000263444812 203468294 /nfs/dbraw/zinc/46/82/94/203468294.db2.gz QPINXCTZIFAKRT-UHFFFAOYSA-N -1 0 315.333 1.818 50 0 DDAARM CCCCNC(=O)c1c([O-])c2cc(OC)c(OC)cc2[nH]c1=O ZINC000009318272 181614273 /nfs/dbraw/zinc/61/42/73/181614273.db2.gz XBFOLKYRFDFAEK-UHFFFAOYSA-N -1 0 320.345 1.781 50 0 DDAARM O=CN[C@@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000016125390 182035055 /nfs/dbraw/zinc/03/50/55/182035055.db2.gz FCLBWSIAKJLFMP-VIFPVBQESA-N -1 0 319.098 1.033 50 0 DDAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1cccc(Cl)c1 ZINC000017032376 182069840 /nfs/dbraw/zinc/06/98/40/182069840.db2.gz YPASAXZJHVCFTD-UHFFFAOYSA-N -1 0 311.750 1.860 50 0 DDAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000018063710 182091237 /nfs/dbraw/zinc/09/12/37/182091237.db2.gz KPLVGEIUBZDTHL-CYBMUJFWSA-N -1 0 320.320 1.254 50 0 DDAARM CCCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019878891 182159935 /nfs/dbraw/zinc/15/99/35/182159935.db2.gz WMQSTCKFNZABQE-SNVBAGLBSA-N -1 0 308.359 1.800 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000238096286 304187343 /nfs/dbraw/zinc/18/73/43/304187343.db2.gz IUMAFJCKFPQEOQ-GFCCVEGCSA-N -1 0 306.366 1.486 50 0 DDAARM COc1ccc(C)cc1/C=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000315164075 248844352 /nfs/dbraw/zinc/84/43/52/248844352.db2.gz MBSJNRXBLQLIOA-KXQLTZBTSA-N -1 0 305.330 1.329 50 0 DDAARM COc1ccccc1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000041670284 183214657 /nfs/dbraw/zinc/21/46/57/183214657.db2.gz VOEUQTLBIILTKV-UHFFFAOYSA-N -1 0 302.286 1.194 50 0 DDAARM CCc1nc2sc(C(=O)[N-]S(C)(=O)=O)c(C)c2c(C)n1 ZINC000042280069 183250199 /nfs/dbraw/zinc/25/01/99/183250199.db2.gz WKNPJAVVIGUJEV-UHFFFAOYSA-N -1 0 313.404 1.560 50 0 DDAARM Cn1cc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c2ccccc21 ZINC000043509654 183368796 /nfs/dbraw/zinc/36/87/96/183368796.db2.gz CCNQESLBCKZIQX-OAHLLOKOSA-N -1 0 304.371 1.868 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000268935847 207102249 /nfs/dbraw/zinc/10/22/49/207102249.db2.gz GZNSVJVPIQLALV-GXTWGEPZSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000062118644 184206991 /nfs/dbraw/zinc/20/69/91/184206991.db2.gz MCBNHNFTWZIGGH-MRVPVSSYSA-N -1 0 301.701 1.791 50 0 DDAARM O=C([O-])C1(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000154915783 197005493 /nfs/dbraw/zinc/00/54/93/197005493.db2.gz OTZGEWPGEWFGMP-NSHDSACASA-N -1 0 322.748 1.426 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)no1 ZINC000225500443 257274507 /nfs/dbraw/zinc/27/45/07/257274507.db2.gz AKDOZGOCEHAIIP-UHFFFAOYSA-N -1 0 316.360 1.187 50 0 DDAARM C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)CS2 ZINC000261657105 407570203 /nfs/dbraw/zinc/57/02/03/407570203.db2.gz KERSXGJPQZBVMO-NHYWBVRUSA-N -1 0 320.370 1.777 50 0 DDAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000000280635 406635717 /nfs/dbraw/zinc/63/57/17/406635717.db2.gz YYPLTSZGZCLXHC-FNORWQNLSA-N -1 0 311.359 1.578 50 0 DDAARM Cc1cc(NN)nc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000000270450 406637272 /nfs/dbraw/zinc/63/72/72/406637272.db2.gz BZLBBDGMWGUXOS-UHFFFAOYSA-N -1 0 313.770 1.525 50 0 DDAARM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000000258414 406636136 /nfs/dbraw/zinc/63/61/36/406636136.db2.gz OSSGQNUAICDPKJ-VIFPVBQESA-N -1 0 301.339 1.945 50 0 DDAARM CCOC(=O)c1nn(-c2ccc(C(=O)OCC)cc2)cc1[O-] ZINC000000102680 406621441 /nfs/dbraw/zinc/62/14/41/406621441.db2.gz IZERRSBYQKFWKA-UHFFFAOYSA-N -1 0 304.302 1.931 50 0 DDAARM Cc1c(Nc2nnc(C)c(=O)[n-]2)c(=O)n(-c2ccccc2)n1C ZINC000000138364 406623286 /nfs/dbraw/zinc/62/32/86/406623286.db2.gz BQIIMOYMWSYOJW-UHFFFAOYSA-N -1 0 312.333 1.015 50 0 DDAARM O=C1CCCCCN1CP(=O)([O-])CN1CCCCCC1=O ZINC000000497824 406654323 /nfs/dbraw/zinc/65/43/23/406654323.db2.gz DWVIPLFAQUVNMG-UHFFFAOYSA-N -1 0 316.338 1.977 50 0 DDAARM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000069569088 406737040 /nfs/dbraw/zinc/73/70/40/406737040.db2.gz RLEDWXKJKUQEOI-IAQYHMDHSA-N -1 0 322.336 1.753 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]C(=O)c2c(C)noc2C)cc1 ZINC000006921158 406743658 /nfs/dbraw/zinc/74/36/58/406743658.db2.gz KPYHKMZVXXADBF-UHFFFAOYSA-N -1 0 310.331 1.419 50 0 DDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000003001573 406708258 /nfs/dbraw/zinc/70/82/58/406708258.db2.gz FABYPXIXLKUNOF-XXYUJHKVSA-N -1 0 304.346 1.389 50 0 DDAARM CN1C(=O)COc2ccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc21 ZINC000071285463 406836541 /nfs/dbraw/zinc/83/65/41/406836541.db2.gz ZEYDBAFKDFMGGB-QWHCGFSZSA-N -1 0 318.329 1.337 50 0 DDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccnc1 ZINC000014371531 406874976 /nfs/dbraw/zinc/87/49/76/406874976.db2.gz MXKZQXYUPICNTM-UHFFFAOYSA-N -1 0 300.343 1.652 50 0 DDAARM CC[C@H](NS(=O)(=O)c1cccc2cc(C)cnc21)C(=O)[O-] ZINC000035186298 406968906 /nfs/dbraw/zinc/96/89/06/406968906.db2.gz RRJYJZCCLAIGCG-NSHDSACASA-N -1 0 308.359 1.685 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000030522257 406932634 /nfs/dbraw/zinc/93/26/34/406932634.db2.gz GRZNZKHSDGATLX-OLZOCXBDSA-N -1 0 316.357 1.960 50 0 DDAARM Cc1n[nH]cc1S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000078002124 407016176 /nfs/dbraw/zinc/01/61/76/407016176.db2.gz DBECSKXBMGXKDX-SNVBAGLBSA-N -1 0 307.331 1.095 50 0 DDAARM Cc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c(=O)[nH]1 ZINC000084130992 407083417 /nfs/dbraw/zinc/08/34/17/407083417.db2.gz KAHOUCIJAGUGAF-UHFFFAOYSA-N -1 0 300.314 1.354 50 0 DDAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1ncccc1F)CC2 ZINC000091255283 407181665 /nfs/dbraw/zinc/18/16/65/407181665.db2.gz HNOGNMFEGKFYBB-CYBMUJFWSA-N -1 0 321.352 1.513 50 0 DDAARM CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)c1 ZINC000055340960 407201778 /nfs/dbraw/zinc/20/17/78/407201778.db2.gz DXGXZBHZVJJIGS-ZCFIWIBFSA-N -1 0 323.740 1.201 50 0 DDAARM C[C@H](CNC(=O)Cc1cccc(Br)c1)c1nnn[n-]1 ZINC000095942111 407214974 /nfs/dbraw/zinc/21/49/74/407214974.db2.gz GIZCRKXIBWAADE-MRVPVSSYSA-N -1 0 324.182 1.425 50 0 DDAARM C[C@@H](CNC(=O)Cc1cccc(Br)c1)c1nnn[n-]1 ZINC000095942110 407215187 /nfs/dbraw/zinc/21/51/87/407215187.db2.gz GIZCRKXIBWAADE-QMMMGPOBSA-N -1 0 324.182 1.425 50 0 DDAARM Cc1cc(C)n(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(F)c2)n1 ZINC000097036681 407275714 /nfs/dbraw/zinc/27/57/14/407275714.db2.gz OJEHAGYFXWPLTP-AWEZNQCLSA-N -1 0 323.299 1.720 50 0 DDAARM C[C@@H]1C[C@H]1c1cc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)n[nH]1 ZINC000097162487 407283981 /nfs/dbraw/zinc/28/39/81/407283981.db2.gz QWELWJSYCPFDEA-HTQZYQBOSA-N -1 0 312.333 1.360 50 0 DDAARM CN(CCc1cn[nH]c1)c1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000067847500 407286878 /nfs/dbraw/zinc/28/68/78/407286878.db2.gz VBICQUUZIYFAGX-UHFFFAOYSA-N -1 0 312.333 1.312 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCOC2)s1 ZINC000170656489 407467346 /nfs/dbraw/zinc/46/73/46/407467346.db2.gz MRZFTEMTLULGHP-SNVBAGLBSA-N -1 0 318.420 1.382 50 0 DDAARM CN(CC(=O)[O-])C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000153098728 407753058 /nfs/dbraw/zinc/75/30/58/407753058.db2.gz HFKNBWRNIJZEKS-UHFFFAOYSA-N -1 0 301.302 1.771 50 0 DDAARM COc1ccc(F)cc1CN1CC[NH+](CCCC(=O)[O-])CC1 ZINC000116339853 407746017 /nfs/dbraw/zinc/74/60/17/407746017.db2.gz MDRVRTLTQCVZPH-UHFFFAOYSA-N -1 0 310.369 1.817 50 0 DDAARM CC(C)(NC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)[O-] ZINC000236682685 407749175 /nfs/dbraw/zinc/74/91/75/407749175.db2.gz UBXPZAOMUYEVNT-UHFFFAOYSA-N -1 0 308.309 1.546 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)CCO1 ZINC000237961878 407857649 /nfs/dbraw/zinc/85/76/49/407857649.db2.gz BUYUTOQFGKSMSU-VIFPVBQESA-N -1 0 303.767 1.646 50 0 DDAARM CN(C)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000262617941 407882680 /nfs/dbraw/zinc/88/26/80/407882680.db2.gz ZWJHEDWGCDYMJS-NSHDSACASA-N -1 0 312.391 1.238 50 0 DDAARM O=C([O-])CN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000238080283 407885079 /nfs/dbraw/zinc/88/50/79/407885079.db2.gz BFCFBASAVNTWID-ZDUSSCGKSA-N -1 0 316.357 1.111 50 0 DDAARM CCc1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1S(C)(=O)=O ZINC000262779547 407927627 /nfs/dbraw/zinc/92/76/27/407927627.db2.gz NVMIGFCIUJDEQR-VIFPVBQESA-N -1 0 313.375 1.103 50 0 DDAARM Cc1ncc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c(C)n1 ZINC000262802060 407939905 /nfs/dbraw/zinc/93/99/05/407939905.db2.gz RTSZXTIWASFHAP-OAHLLOKOSA-N -1 0 311.341 1.918 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCCc2nc(C3CC3)no2)C1 ZINC000136121003 408080611 /nfs/dbraw/zinc/08/06/11/408080611.db2.gz RVLNFBXHGNFCPL-LLVKDONJSA-N -1 0 307.350 1.593 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Nc2cncc(F)c2)C[C@H]1C(F)(F)F ZINC000263061412 163910056 /nfs/dbraw/zinc/91/00/56/163910056.db2.gz OPHSYHVOOKUWKU-RKDXNWHRSA-N -1 0 321.230 1.948 50 0 DDAARM CN(Cc1nnc(C2CC2)[nH]1)Cc1nc(=O)c2sccc2[n-]1 ZINC000131775525 196198524 /nfs/dbraw/zinc/19/85/24/196198524.db2.gz GBIWNDZWGYIHRU-UHFFFAOYSA-N -1 0 316.390 1.612 50 0 DDAARM Cc1nc(-c2ncccn2)sc1C(=O)NC(C)(C)C(=O)[O-] ZINC000137708667 196579689 /nfs/dbraw/zinc/57/96/89/196579689.db2.gz INFKROXHRUCRRD-UHFFFAOYSA-N -1 0 306.347 1.502 50 0 DDAARM COc1cccc(CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000360872466 418537702 /nfs/dbraw/zinc/53/77/02/418537702.db2.gz MDNZTOSKKAMRNW-LBPRGKRZSA-N -1 0 301.350 1.157 50 0 DDAARM COc1cccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000408513364 418806221 /nfs/dbraw/zinc/80/62/21/418806221.db2.gz YEUCRUAXLJZJFW-UHFFFAOYSA-N -1 0 307.346 1.791 50 0 DDAARM C[C@@H](CCNc1cc(Cl)c(=O)[nH]n1)NC(=O)OC(C)(C)C ZINC000408522538 418808147 /nfs/dbraw/zinc/80/81/47/418808147.db2.gz BCMBCGUZEYPBQA-QMMMGPOBSA-N -1 0 316.789 2.551 50 0 DDAARM CC(C)(C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)N1CCOCC1 ZINC000426486085 419487905 /nfs/dbraw/zinc/48/79/05/419487905.db2.gz XNJDTRODACZDQH-AWEZNQCLSA-N -1 0 320.389 1.429 50 0 DDAARM CCCC[C@H](CC(=O)[O-])NC(=O)N(C)Cc1cnn(C)c1C ZINC000426667502 419526455 /nfs/dbraw/zinc/52/64/55/419526455.db2.gz OONGVKLAMIMMFI-CYBMUJFWSA-N -1 0 310.398 1.903 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CCO1 ZINC000299749749 229392849 /nfs/dbraw/zinc/39/28/49/229392849.db2.gz LJSQGSKJVTWHTJ-HNNXBMFYSA-N -1 0 319.357 1.791 50 0 DDAARM Cc1cc(C)cc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)c1 ZINC000072265054 301214448 /nfs/dbraw/zinc/21/44/48/301214448.db2.gz QZWZCFLPOVHLOW-UHFFFAOYSA-N -1 0 310.309 1.994 50 0 DDAARM Cc1cc2c(cc1C)[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])CO2 ZINC000263130119 301442605 /nfs/dbraw/zinc/44/26/05/301442605.db2.gz LLVZXKGQPFMSSA-STQMWFEESA-N -1 0 305.330 1.091 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N(C)CCCC(=O)[O-])C2=O)cc1 ZINC000237274971 301629011 /nfs/dbraw/zinc/62/90/11/301629011.db2.gz GOJBVMDKYHOGIH-AWEZNQCLSA-N -1 0 318.373 1.671 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000571526452 308197382 /nfs/dbraw/zinc/19/73/82/308197382.db2.gz UDVPMRUIWACGJL-UEKVPHQBSA-N -1 0 321.373 1.866 50 0 DDAARM O=S(=O)(CC1CCCC1)NCc1nc(-c2ccccn2)no1 ZINC000670470433 484847921 /nfs/dbraw/zinc/84/79/21/484847921.db2.gz PMLXNTPKPRZVKT-UHFFFAOYSA-N -1 0 322.390 1.741 50 0 DDAARM CCn1nc(C)cc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000685025229 486491523 /nfs/dbraw/zinc/49/15/23/486491523.db2.gz YHGRJNIGRXPXPX-QGZVFWFLSA-N -1 0 315.373 1.984 50 0 DDAARM Cc1c(C(=O)N(C)CCCC(=O)[O-])cccc1N1CCNC1=O ZINC000299749520 533734156 /nfs/dbraw/zinc/73/41/56/533734156.db2.gz KPALHMFSBGSXJE-UHFFFAOYSA-N -1 0 319.361 1.461 50 0 DDAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000299740753 526678115 /nfs/dbraw/zinc/67/81/15/526678115.db2.gz BPVBZQHJHYIHKE-QWHCGFSZSA-N -1 0 322.386 1.240 50 0 DDAARM CC(C)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000299753798 527158661 /nfs/dbraw/zinc/15/86/61/527158661.db2.gz ZKDANMHVKOQVBN-NWDGAFQWSA-N -1 0 319.357 1.572 50 0 DDAARM O=C([N-]S(=O)(=O)CC1CCOCC1)c1cccc2c[nH]nc21 ZINC000170007263 563902576 /nfs/dbraw/zinc/90/25/76/563902576.db2.gz BAYFFEGINOGGSH-UHFFFAOYSA-N -1 0 323.374 1.049 50 0 DDAARM COC(=O)c1cccc(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020616521 696070953 /nfs/dbraw/zinc/07/09/53/696070953.db2.gz KGQPBAHKKQBIMP-UHFFFAOYSA-N -1 0 303.274 1.157 50 0 DDAARM COc1ccc(S(=O)(=O)c2ccc(C(=O)[O-])cn2)cc1OC ZINC000021775200 539030511 /nfs/dbraw/zinc/03/05/11/539030511.db2.gz ZAHPGCXQWZHPPA-UHFFFAOYSA-N -1 0 323.326 1.630 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@@H]1C1CC1 ZINC000212827182 539264205 /nfs/dbraw/zinc/26/42/05/539264205.db2.gz UBDDSEYIUPPTDV-KGLIPLIRSA-N -1 0 313.357 1.606 50 0 DDAARM C[S@](=O)Cc1cccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000262188175 539275498 /nfs/dbraw/zinc/27/54/98/539275498.db2.gz PNNRUDKHIXLVFF-VFNWGFHPSA-N -1 0 309.387 1.502 50 0 DDAARM O=C([O-])C[C@@H]1CSCCN1C(=O)c1cccc2cn[nH]c21 ZINC000095424729 185361497 /nfs/dbraw/zinc/36/14/97/185361497.db2.gz ILAIBDKLYBJXGJ-SNVBAGLBSA-N -1 0 305.359 1.595 50 0 DDAARM CC(C)C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000095424030 185361247 /nfs/dbraw/zinc/36/12/47/185361247.db2.gz STTWZALLZGBJPC-CQSZACIVSA-N -1 0 318.373 1.648 50 0 DDAARM CN(CC(=O)NC1CC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647349 197799536 /nfs/dbraw/zinc/79/95/36/197799536.db2.gz NDPMWWYKLJDRSM-UHFFFAOYSA-N -1 0 305.359 1.467 50 0 DDAARM CC(C)CN1C[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC1=O ZINC000314330010 290805856 /nfs/dbraw/zinc/80/58/56/290805856.db2.gz CYENNEPMKITEKS-LBPRGKRZSA-N -1 0 304.346 1.828 50 0 DDAARM CC(C)[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000236711542 201977260 /nfs/dbraw/zinc/97/72/60/201977260.db2.gz MMQXLNIPFUAXTF-CQSZACIVSA-N -1 0 304.346 1.652 50 0 DDAARM O=C([O-])C[C@H]1COCCN1Cc1cccc2c1OC(F)(F)O2 ZINC000072133629 191044660 /nfs/dbraw/zinc/04/46/60/191044660.db2.gz BUVNEUGDUPMNFT-JTQLQIEISA-N -1 0 315.272 1.684 50 0 DDAARM COc1cccc2ccc(CN3CCOC[C@@H]3CC(=O)[O-])nc21 ZINC000072145826 191053410 /nfs/dbraw/zinc/05/34/10/191053410.db2.gz GYISCXOKWXUPHX-AWEZNQCLSA-N -1 0 316.357 1.919 50 0 DDAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2cnn(CC)c2)cn1 ZINC000072275928 191097037 /nfs/dbraw/zinc/09/70/37/191097037.db2.gz PBSGQOHKTZXQKY-UHFFFAOYSA-N -1 0 323.422 1.945 50 0 DDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000072277070 191098716 /nfs/dbraw/zinc/09/87/16/191098716.db2.gz DROUKILIBIXYFZ-UHFFFAOYSA-N -1 0 316.361 1.591 50 0 DDAARM NC(=O)c1ccc(Cl)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000072406425 191152807 /nfs/dbraw/zinc/15/28/07/191152807.db2.gz RXAYGOBCLRFDHK-UHFFFAOYSA-N -1 0 320.692 1.179 50 0 DDAARM O=C(N[C@@H]1CCc2c1ccc(Cl)c2Cl)c1n[nH]c(=O)[n-]1 ZINC000072282460 353196372 /nfs/dbraw/zinc/19/63/72/353196372.db2.gz UFEPIESBSSXLPF-MRVPVSSYSA-N -1 0 313.144 1.822 50 0 DDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N(C)CC(=O)[O-] ZINC000003863607 181050249 /nfs/dbraw/zinc/05/02/49/181050249.db2.gz VFQUBTHNAUFREA-UHFFFAOYSA-N -1 0 319.313 1.283 50 0 biogenic DDAARM CC(C)[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000236770108 202000572 /nfs/dbraw/zinc/00/05/72/202000572.db2.gz BDTCDJQOGNYSMT-HNNXBMFYSA-N -1 0 318.373 1.648 50 0 DDAARM Cc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)ccc1-n1cncn1 ZINC000236772901 202003513 /nfs/dbraw/zinc/00/35/13/202003513.db2.gz YJZDVAKPUBBWOS-ZDUSSCGKSA-N -1 0 302.334 1.415 50 0 DDAARM COCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000004488736 181114531 /nfs/dbraw/zinc/11/45/31/181114531.db2.gz ANUJABXYVZIPGJ-KWQFWETISA-N -1 0 323.345 1.290 50 0 DDAARM CC(C)[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000004748861 181147639 /nfs/dbraw/zinc/14/76/39/181147639.db2.gz JZIZZRJRPLHFIN-SNVBAGLBSA-N -1 0 309.746 1.867 50 0 DDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000004884302 181167840 /nfs/dbraw/zinc/16/78/40/181167840.db2.gz QNWTTXDDKMJSNW-UHFFFAOYSA-N -1 0 310.331 1.879 50 0 DDAARM O=C([O-])CCC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 ZINC000004505658 304044406 /nfs/dbraw/zinc/04/44/06/304044406.db2.gz NSBRQLMBVGKJGJ-UHFFFAOYSA-N -1 0 317.341 1.878 50 0 DDAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005582542 181260411 /nfs/dbraw/zinc/26/04/11/181260411.db2.gz CISYSZFEWXKJCX-UHFFFAOYSA-N -1 0 324.333 1.734 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)n(C)n1 ZINC000236881134 202049994 /nfs/dbraw/zinc/04/99/94/202049994.db2.gz YKIFXKQLAGHOCN-UHFFFAOYSA-N -1 0 323.393 1.639 50 0 DDAARM CCn1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc2ccccc21 ZINC000237197566 202186741 /nfs/dbraw/zinc/18/67/41/202186741.db2.gz SHMQCARDTFIHGF-ZDUSSCGKSA-N -1 0 316.357 1.977 50 0 DDAARM COCc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])no1 ZINC000237241219 202202009 /nfs/dbraw/zinc/20/20/09/202202009.db2.gz GTECHZZKWXSQMJ-AWEZNQCLSA-N -1 0 316.313 1.473 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCO1 ZINC000178246971 198838342 /nfs/dbraw/zinc/83/83/42/198838342.db2.gz PPOOWMONHQVBAF-ZDUSSCGKSA-N -1 0 314.341 1.997 50 0 DDAARM Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)n[n-]c2=S)c1 ZINC000005901053 181294583 /nfs/dbraw/zinc/29/45/83/181294583.db2.gz QZKZKNYGODSMEJ-UHFFFAOYSA-N -1 0 315.358 1.206 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000237280180 202214723 /nfs/dbraw/zinc/21/47/23/202214723.db2.gz ZOABNLAKPIZWPC-NWDGAFQWSA-N -1 0 313.300 1.628 50 0 DDAARM Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237752238 202345294 /nfs/dbraw/zinc/34/52/94/202345294.db2.gz KSIJLWSHJXFRLG-GFCCVEGCSA-N -1 0 303.314 1.975 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1nc(-c2ccoc2)no1 ZINC000238064677 202431800 /nfs/dbraw/zinc/43/18/00/202431800.db2.gz BWAJGFOSDGGQES-JTQLQIEISA-N -1 0 305.290 1.338 50 0 DDAARM C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000000166169 299329967 /nfs/dbraw/zinc/32/99/67/299329967.db2.gz JRXYHNYHRSZPBH-LURJTMIESA-N -1 0 308.153 1.201 50 0 DDAARM COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cn1 ZINC000006623298 181362142 /nfs/dbraw/zinc/36/21/42/181362142.db2.gz KABTUNXJBUJMSS-UHFFFAOYSA-N -1 0 324.314 1.295 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000248844706 202767790 /nfs/dbraw/zinc/76/77/90/202767790.db2.gz AFQLWBMCGLYSDH-QJPTWQEYSA-N -1 0 322.748 1.282 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cn1 ZINC000006706655 181375000 /nfs/dbraw/zinc/37/50/00/181375000.db2.gz TUMSOKSUQXZOTJ-UHFFFAOYSA-N -1 0 322.390 1.687 50 0 DDAARM CC(C)NS(=O)(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000006827948 181395555 /nfs/dbraw/zinc/39/55/55/181395555.db2.gz NYYDLBMXKKQMRL-UHFFFAOYSA-N -1 0 314.363 1.177 50 0 DDAARM CC(C)CCNC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000006914153 181405122 /nfs/dbraw/zinc/40/51/22/181405122.db2.gz UPWLOJODPKQCNX-UHFFFAOYSA-N -1 0 323.418 1.951 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000091604887 193078346 /nfs/dbraw/zinc/07/83/46/193078346.db2.gz JYLAWVHCSQIIRU-INIZCTEOSA-N -1 0 322.361 1.109 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000091986485 193137237 /nfs/dbraw/zinc/13/72/37/193137237.db2.gz YMWVXKCAKGUGKT-INIZCTEOSA-N -1 0 323.393 1.299 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 ZINC000194352430 304129650 /nfs/dbraw/zinc/12/96/50/304129650.db2.gz NDUCJXLJZIFRKZ-AWEZNQCLSA-N -1 0 303.358 1.810 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1ccccc1=O ZINC000299744708 304148662 /nfs/dbraw/zinc/14/86/62/304148662.db2.gz ULUHRWDPPCPJEH-MCIONIFRSA-N -1 0 318.373 1.483 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262352057 203271223 /nfs/dbraw/zinc/27/12/23/203271223.db2.gz BPQVFBZANPPMQR-IQJOONFLSA-N -1 0 322.748 1.282 50 0 DDAARM O=C([O-])c1csc(CNC(=O)Cc2ccc3c(c2)CCO3)n1 ZINC000262403211 203285098 /nfs/dbraw/zinc/28/50/98/203285098.db2.gz AAGLDUCZZYWAHX-UHFFFAOYSA-N -1 0 318.354 1.635 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2ncsc2c1 ZINC000262492179 203308885 /nfs/dbraw/zinc/30/88/85/203308885.db2.gz XOJFQHRISFSZBH-ZETCQYMHSA-N -1 0 300.361 1.390 50 0 DDAARM COc1cc(OC)cc(-c2nnc([N-]C(=O)c3ccno3)o2)c1 ZINC000010254070 181662322 /nfs/dbraw/zinc/66/23/22/181662322.db2.gz XBRXNZOXPSVHAN-UHFFFAOYSA-N -1 0 316.273 1.994 50 0 DDAARM COc1cc(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)ccc1O ZINC000013771034 181893248 /nfs/dbraw/zinc/89/32/48/181893248.db2.gz LEBNVSHADGGORE-XFFZJAGNSA-N -1 0 323.326 1.912 50 0 DDAARM COC(=O)c1ccc(Nc2nc(=O)c(C(C)(C)C)n[n-]2)cc1 ZINC000016918363 182064687 /nfs/dbraw/zinc/06/46/87/182064687.db2.gz LRTKXDREXIZOLU-UHFFFAOYSA-N -1 0 302.334 1.993 50 0 DDAARM CCSc1nnc(NC(=O)c2c(C(=O)[O-])cnn2C)s1 ZINC000020614683 182239366 /nfs/dbraw/zinc/23/93/66/182239366.db2.gz FYQCBHUWURQQQR-UHFFFAOYSA-N -1 0 313.364 1.334 50 0 DDAARM CCn1cc(CN(C)C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C)n1 ZINC000020606863 182237884 /nfs/dbraw/zinc/23/78/84/182237884.db2.gz VVHOCQWQVCFXRI-KBPBESRZSA-N -1 0 305.378 1.837 50 0 DDAARM O=C([O-])c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1 ZINC000021721066 182285779 /nfs/dbraw/zinc/28/57/79/182285779.db2.gz VYKAFXIZXHUKJX-UHFFFAOYSA-N -1 0 309.285 1.613 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000030522261 182591720 /nfs/dbraw/zinc/59/17/20/182591720.db2.gz GRZNZKHSDGATLX-STQMWFEESA-N -1 0 316.357 1.960 50 0 DDAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ncccn2)c1=O ZINC000100534614 193801068 /nfs/dbraw/zinc/80/10/68/193801068.db2.gz OCBIWEYRZVMJLH-UHFFFAOYSA-N -1 0 310.313 1.769 50 0 DDAARM O=C([O-])CN(CC(=O)NCc1cccs1)c1ccccc1 ZINC000034926533 182744665 /nfs/dbraw/zinc/74/46/65/182744665.db2.gz PETAKEHWIQQEEN-UHFFFAOYSA-N -1 0 304.371 1.956 50 0 DDAARM COc1ccc(-c2c(C)nn3c2NC(=O)[C@@H](CC(=O)[O-])C3)cc1 ZINC000035324942 182770487 /nfs/dbraw/zinc/77/04/87/182770487.db2.gz PLQNBVONWBCYGT-NSHDSACASA-N -1 0 315.329 1.910 50 0 DDAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1CC=CCC1 ZINC000237305955 248569939 /nfs/dbraw/zinc/56/99/39/248569939.db2.gz KOXAHDNPRRERPB-LBPRGKRZSA-N -1 0 308.378 1.124 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000043700327 183381978 /nfs/dbraw/zinc/38/19/78/183381978.db2.gz ZUTYGJFKLSPDEO-SNVBAGLBSA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000268950820 207113952 /nfs/dbraw/zinc/11/39/52/207113952.db2.gz SVEUIJNBLHYCQN-CQSZACIVSA-N -1 0 313.357 1.738 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000062132517 184207949 /nfs/dbraw/zinc/20/79/49/184207949.db2.gz XWUIRIIRAZCGRM-MRVPVSSYSA-N -1 0 323.292 1.801 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000269131120 207265118 /nfs/dbraw/zinc/26/51/18/207265118.db2.gz BJPBZRDHFMHNPD-UKRRQHHQSA-N -1 0 319.357 1.791 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cc(-c3cccc(F)c3)no2)C1 ZINC000065454959 184347171 /nfs/dbraw/zinc/34/71/71/184347171.db2.gz CPVFHYYPALQTJL-SNVBAGLBSA-N -1 0 304.277 1.914 50 0 DDAARM Cc1c(NC(=O)CSc2nnc(N)s2)cccc1C(=O)[O-] ZINC000067197409 184453877 /nfs/dbraw/zinc/45/38/77/184453877.db2.gz XWQWCYNNBIBLEC-UHFFFAOYSA-N -1 0 324.387 1.858 50 0 DDAARM O=C([O-])c1nc[nH]c1C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000097575054 304283839 /nfs/dbraw/zinc/28/38/39/304283839.db2.gz DKELRVNRPJVVFO-NSHDSACASA-N -1 0 300.318 1.870 50 0 DDAARM CS(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)c(F)c1 ZINC000015443660 134523988 /nfs/dbraw/zinc/52/39/88/134523988.db2.gz SGLKZCURYDEFJN-UHFFFAOYSA-N -1 0 301.339 1.530 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1 ZINC000000104690 406621605 /nfs/dbraw/zinc/62/16/05/406621605.db2.gz QTYQSNXPWNPGRS-UHFFFAOYSA-N -1 0 319.342 1.636 50 0 biogenic DDAARM COc1ccccc1N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000000196512 406628531 /nfs/dbraw/zinc/62/85/31/406628531.db2.gz WTVOCFSOTYTTCG-UHFFFAOYSA-N -1 0 306.362 1.599 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1 ZINC000000571904 406656421 /nfs/dbraw/zinc/65/64/21/406656421.db2.gz KRROKIKJWVDYHW-UHFFFAOYSA-N -1 0 304.371 1.988 50 0 DDAARM O=C([O-])CC(=O)Nc1ccc(NC(=O)c2ccco2)c(O)c1 ZINC000000395247 406644000 /nfs/dbraw/zinc/64/40/00/406644000.db2.gz JOUVTWXQAQFBGR-UHFFFAOYSA-N -1 0 304.258 1.651 50 0 DDAARM C[C@H](SCC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000006831300 406740774 /nfs/dbraw/zinc/74/07/74/406740774.db2.gz ZLCQZEVFZFLZAM-LBPRGKRZSA-N -1 0 308.403 1.542 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000013252356 406860146 /nfs/dbraw/zinc/86/01/46/406860146.db2.gz MHWCFCIGKOYFER-STQMWFEESA-N -1 0 302.330 1.652 50 0 DDAARM CCOC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000013624472 406864584 /nfs/dbraw/zinc/86/45/84/406864584.db2.gz QOIWASGSKDPLJK-OLZOCXBDSA-N -1 0 311.378 1.679 50 0 DDAARM COc1cc2ncnc(N3CCC[C@H](C(=O)[O-])C3)c2cc1OC ZINC000020762489 406887212 /nfs/dbraw/zinc/88/72/12/406887212.db2.gz AWBYEVQSKRPFMX-JTQLQIEISA-N -1 0 317.345 1.948 50 0 DDAARM Cc1cccnc1CN1CCN(Cc2c[nH]nc2C(=O)[O-])CC1 ZINC000071771552 406843261 /nfs/dbraw/zinc/84/32/61/406843261.db2.gz DVESFFVNCOZZIX-UHFFFAOYSA-N -1 0 315.377 1.129 50 0 DDAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000012403838 406843654 /nfs/dbraw/zinc/84/36/54/406843654.db2.gz MTHOJGOAXGZCDV-ZDUSSCGKSA-N -1 0 320.345 1.399 50 0 DDAARM CCn1nccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000028249322 406917437 /nfs/dbraw/zinc/91/74/37/406917437.db2.gz VVFBPPGPVDVOGV-UHFFFAOYSA-N -1 0 311.363 1.721 50 0 DDAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000033400733 406960916 /nfs/dbraw/zinc/96/09/16/406960916.db2.gz KMBFDSIWSFCRKM-JECSTDCCSA-N -1 0 311.359 1.242 50 0 DDAARM Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1 ZINC000055601922 407205259 /nfs/dbraw/zinc/20/52/59/407205259.db2.gz AUMUCQPXBDMWPF-UHFFFAOYSA-N -1 0 315.358 1.772 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c1 ZINC000096025640 407224582 /nfs/dbraw/zinc/22/45/82/407224582.db2.gz HOSNYFDFRYLXGI-UHFFFAOYSA-N -1 0 306.347 1.106 50 0 DDAARM Cc1c(F)cccc1S(=O)(=O)[N-]c1nc2ncccn2n1 ZINC000096433470 407265688 /nfs/dbraw/zinc/26/56/88/407265688.db2.gz PGAPRWWHOHMWBX-UHFFFAOYSA-N -1 0 307.310 1.373 50 0 DDAARM Cc1nc([N-]S(=O)(=O)c2cccnc2)nc2c1CCCC2 ZINC000097114372 407281040 /nfs/dbraw/zinc/28/10/40/407281040.db2.gz FNRFUWDKUSLXAL-UHFFFAOYSA-N -1 0 304.375 1.860 50 0 DDAARM O=C([O-])c1csc(CNC(=O)Cc2cc(F)ccc2F)n1 ZINC000124248512 407352761 /nfs/dbraw/zinc/35/27/61/407352761.db2.gz DCQMZHCJWVACNE-UHFFFAOYSA-N -1 0 312.297 1.978 50 0 DDAARM Cc1ccc(C[C@@H](C)C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1 ZINC000124430768 407358159 /nfs/dbraw/zinc/35/81/59/407358159.db2.gz TUUDTVLGRGJYCL-CHWSQXEVSA-N -1 0 301.394 1.949 50 0 DDAARM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)N1CCCCC1 ZINC000111309562 407406843 /nfs/dbraw/zinc/40/68/43/407406843.db2.gz TUFAGWNEXBKUMZ-UHFFFAOYSA-N -1 0 314.363 1.536 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)Cn1nc(C)c(Cl)c1C ZINC000195544294 407465959 /nfs/dbraw/zinc/46/59/59/407465959.db2.gz NEXNGICMLAGYRQ-QMMMGPOBSA-N -1 0 301.774 1.865 50 0 DDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000195568013 407467390 /nfs/dbraw/zinc/46/73/90/407467390.db2.gz WMEMABXRLRCNBR-DDTOSNHZSA-N -1 0 315.377 1.574 50 0 DDAARM Cc1nc(CN(C)Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)no1 ZINC000215385308 407483542 /nfs/dbraw/zinc/48/35/42/407483542.db2.gz IQTMIDVCUOSFDV-JTQLQIEISA-N -1 0 305.334 1.862 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000128503850 407541555 /nfs/dbraw/zinc/54/15/55/407541555.db2.gz NGXMMJUEDRSMER-GFCCVEGCSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCO1 ZINC000262153785 407753523 /nfs/dbraw/zinc/75/35/23/407753523.db2.gz UIDCTSGLLSTETK-CYBMUJFWSA-N -1 0 317.297 1.998 50 0 DDAARM CC(=O)N1CCC(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1 ZINC000236604547 407732264 /nfs/dbraw/zinc/73/22/64/407732264.db2.gz FMEWWGBANBTERT-ILXRZTDVSA-N -1 0 322.405 1.489 50 0 DDAARM CN(CC(=O)[O-])C(=O)CCCN1C(=O)CCc2ccccc21 ZINC000153073533 407747965 /nfs/dbraw/zinc/74/79/65/407747965.db2.gz JOIYESPJWCGFHV-UHFFFAOYSA-N -1 0 304.346 1.289 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000237279054 407810966 /nfs/dbraw/zinc/81/09/66/407810966.db2.gz ZOABNLAKPIZWPC-VXGBXAGGSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 ZINC000237958113 407857701 /nfs/dbraw/zinc/85/77/01/407857701.db2.gz XYEULDAEIXJZTC-MRVPVSSYSA-N -1 0 324.283 1.051 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(N3CCCCCC3)nc2)CC1 ZINC000237974334 407861288 /nfs/dbraw/zinc/86/12/88/407861288.db2.gz IICVBVIQKILOSF-UHFFFAOYSA-N -1 0 303.362 1.809 50 0 DDAARM O=C([O-])C1(NC(=O)c2nc(N3CCCC3)ncc2Cl)CCC1 ZINC000237998094 407865925 /nfs/dbraw/zinc/86/59/25/407865925.db2.gz SEUJGAXBRQCGDR-UHFFFAOYSA-N -1 0 324.768 1.467 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1 ZINC000238052249 407878478 /nfs/dbraw/zinc/87/84/78/407878478.db2.gz DZGPJFWFIWAHNQ-AWEZNQCLSA-N -1 0 316.357 1.734 50 0 DDAARM CCC[C@H](NS(=O)(=O)c1cccc(N(C)C)c1)C(=O)[O-] ZINC000262614044 407882563 /nfs/dbraw/zinc/88/25/63/407882563.db2.gz XCZDMQCZOQPJIB-LBPRGKRZSA-N -1 0 300.380 1.284 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cnn2cccnc12 ZINC000262827115 407949663 /nfs/dbraw/zinc/94/96/63/407949663.db2.gz BZJOGTKNOKQMHX-NHCYSSNCSA-N -1 0 300.318 1.055 50 0 DDAARM CNC(=O)c1cccc(CCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000262842450 407953603 /nfs/dbraw/zinc/95/36/03/407953603.db2.gz AMLWIKFFCBRMCT-UHFFFAOYSA-N -1 0 318.373 1.302 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(OCC3CC3)cc2)CCO1 ZINC000263019826 408004122 /nfs/dbraw/zinc/00/41/22/408004122.db2.gz SLAWMKYAFJFWEO-AWEZNQCLSA-N -1 0 305.330 1.401 50 0 DDAARM Cn1nc(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000263255219 408075541 /nfs/dbraw/zinc/07/55/41/408075541.db2.gz UBAXVQKZAJSPMZ-MRXNPFEDSA-N -1 0 301.346 1.439 50 0 DDAARM CC1(C)CC[C@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)O1 ZINC000263575802 408179957 /nfs/dbraw/zinc/17/99/57/408179957.db2.gz POZZLBXNEMMYCE-CYBMUJFWSA-N -1 0 307.346 1.837 50 0 DDAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cscn2)c(F)c1 ZINC000190860992 408332387 /nfs/dbraw/zinc/33/23/87/408332387.db2.gz OOKZFHIGYBEKLY-UHFFFAOYSA-N -1 0 314.363 1.850 50 0 DDAARM CNc1ccccc1C(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000298913680 410447954 /nfs/dbraw/zinc/44/79/54/410447954.db2.gz LXAMJOHSKGFYCI-SNVBAGLBSA-N -1 0 301.350 1.160 50 0 DDAARM CC(C)Oc1ccccc1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299752637 410605770 /nfs/dbraw/zinc/60/57/70/410605770.db2.gz UUZLSRZEIZBTHD-ZDUSSCGKSA-N -1 0 307.346 1.328 50 0 DDAARM CC(C)n1cccc1C(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000299791892 410631437 /nfs/dbraw/zinc/63/14/37/410631437.db2.gz GBQMJXMOVBJKBI-CYBMUJFWSA-N -1 0 302.334 1.444 50 0 DDAARM C[C@H](NC(=O)C1Cc2ccccc2C1)c1n[nH]c(CC(=O)[O-])n1 ZINC000426384016 419452266 /nfs/dbraw/zinc/45/22/66/419452266.db2.gz XNUXBJUTEPGZQV-VIFPVBQESA-N -1 0 314.345 1.024 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(Nc3ccccc3)CCCC2)CCO1 ZINC000426730333 419539271 /nfs/dbraw/zinc/53/92/71/419539271.db2.gz GEOHYBCLUZFAQA-CQSZACIVSA-N -1 0 318.373 1.723 50 0 DDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)c1ccccc1-n1cncn1 ZINC000426574958 419508685 /nfs/dbraw/zinc/50/86/85/419508685.db2.gz DKXSZVICRGRUBK-LBPRGKRZSA-N -1 0 302.334 1.496 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CCO1 ZINC000299742839 229379844 /nfs/dbraw/zinc/37/98/44/229379844.db2.gz KWBUARUFPLWLHI-KKUMJFAQSA-N -1 0 319.357 1.466 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)Cc2ccc3c(c2)OCCO3)o1 ZINC000299741746 229377313 /nfs/dbraw/zinc/37/73/13/229377313.db2.gz FTPKJSDPBPBUHY-UHFFFAOYSA-N -1 0 317.297 1.608 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCn1cncn1 ZINC000299747321 229388291 /nfs/dbraw/zinc/38/82/91/229388291.db2.gz CPKCOJPVEIBUHQ-UPJWGTAASA-N -1 0 306.366 1.303 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000491907189 421204725 /nfs/dbraw/zinc/20/47/25/421204725.db2.gz RUDVSHOJBKZZAN-JKEYDSJLSA-N -1 0 316.357 1.525 50 0 DDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)c(C)cc1F ZINC000643851306 423379567 /nfs/dbraw/zinc/37/95/67/423379567.db2.gz HWOXUCNGQMBRSA-HNNXBMFYSA-N -1 0 313.300 1.979 50 0 DDAARM COc1cncnc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653546046 423521548 /nfs/dbraw/zinc/52/15/48/423521548.db2.gz WFWYXOFXBKTIOI-KXUCPTDWSA-N -1 0 322.365 1.742 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC(Cn3cnnc3)CC2)cc1 ZINC000652090401 423851626 /nfs/dbraw/zinc/85/16/26/423851626.db2.gz DTPVCQLRQHYQMX-UHFFFAOYSA-N -1 0 314.345 1.529 50 0 DDAARM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000655541243 424554755 /nfs/dbraw/zinc/55/47/55/424554755.db2.gz ZQCWFYALDXTSCI-GFCCVEGCSA-N -1 0 316.313 1.174 50 0 DDAARM CC1(C)CN(S(=O)(=O)c2csc(C(=O)[O-])c2)CCS1 ZINC000095940695 281260124 /nfs/dbraw/zinc/26/01/24/281260124.db2.gz YLURUINCHBFNCC-UHFFFAOYSA-N -1 0 321.445 1.962 50 0 DDAARM CO[N-]C(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000053720402 293376598 /nfs/dbraw/zinc/37/65/98/293376598.db2.gz SJFYYGGLDMUUTE-CYBMUJFWSA-N -1 0 300.314 1.524 50 0 DDAARM COc1cc2c(cc1OC)CN(c1cnc(C(=O)[O-])cn1)CC2 ZINC000261617790 295040268 /nfs/dbraw/zinc/04/02/68/295040268.db2.gz AMCBMYRALVKBMG-UHFFFAOYSA-N -1 0 315.329 1.755 50 0 DDAARM Cc1cccc2[nH]cc(CC(=O)N3CCOC[C@@H]3C(=O)[O-])c21 ZINC000299752963 302051237 /nfs/dbraw/zinc/05/12/37/302051237.db2.gz WFGMZSITUCGFGD-CYBMUJFWSA-N -1 0 302.330 1.331 50 0 DDAARM O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1cc2n(n1)CCCO2 ZINC000567057786 308069836 /nfs/dbraw/zinc/06/98/36/308069836.db2.gz NSBMKGNXTJMXRW-UHFFFAOYSA-N -1 0 301.228 1.082 50 0 DDAARM Cc1cc(=O)c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cn1C ZINC000534577388 334288117 /nfs/dbraw/zinc/28/81/17/334288117.db2.gz LRAVWGPEGKLIRH-GFCCVEGCSA-N -1 0 306.362 1.411 50 0 DDAARM Cc1cc(C)n2ncc(C(=O)N[C@]3(C(=O)[O-])CCSC3)c2n1 ZINC000299745461 534129150 /nfs/dbraw/zinc/12/91/50/534129150.db2.gz ZFZDJGCIMLIBLA-CQSZACIVSA-N -1 0 320.374 1.036 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N ZINC000386419847 699077468 /nfs/dbraw/zinc/07/74/68/699077468.db2.gz ZOOIMRWEQXPTAU-UHFFFAOYSA-N -1 0 323.330 1.986 50 0 DDAARM Cc1ccc(NC(=O)CCNC(=O)NCCC(=O)[O-])c(C)c1 ZINC000828055749 759464843 /nfs/dbraw/zinc/46/48/43/759464843.db2.gz YWBLCYQEXKULDC-UHFFFAOYSA-N -1 0 307.350 1.406 50 0 DDAARM Cc1cccc(NC(=O)CCNC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000952869842 775601927 /nfs/dbraw/zinc/60/19/27/775601927.db2.gz MTTAQWHPQKKJNO-AWEZNQCLSA-N -1 0 321.377 1.732 50 0 DDAARM CC(C)(C)OC(=O)N1CC(NC(=O)OC2CCC2)(C(=O)[O-])C1 ZINC000952878838 775629922 /nfs/dbraw/zinc/62/99/22/775629922.db2.gz JRGLVHDSJNNIJC-UHFFFAOYSA-N -1 0 314.338 1.339 50 0 DDAARM CCC[C@@H](NC(=O)Cc1cc(F)c(F)cc1F)c1nnn[n-]1 ZINC000164428056 197653234 /nfs/dbraw/zinc/65/32/34/197653234.db2.gz NDCGETXQJXZKNY-LLVKDONJSA-N -1 0 313.283 1.817 50 0 DDAARM O=S(=O)([N-]CC(F)(F)F)N[C@H]1CNc2ccccc2C1 ZINC000126838746 539182009 /nfs/dbraw/zinc/18/20/09/539182009.db2.gz VACAYWFLRFINNL-SECBINFHSA-N -1 0 309.313 1.010 50 0 DDAARM CC(C)(C)S(=O)(=O)CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262857665 539275930 /nfs/dbraw/zinc/27/59/30/539275930.db2.gz CVJQUOKQJPUZCO-LLVKDONJSA-N -1 0 319.423 1.446 50 0 DDAARM C[C@@H](NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1)C(=O)[O-] ZINC000095425445 185361557 /nfs/dbraw/zinc/36/15/57/185361557.db2.gz NTYRHLLOLFKEGQ-BXKDBHETSA-N -1 0 306.318 1.007 50 0 DDAARM CC(C)C[C@H](NC(=O)C[C@@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC000095427715 185362158 /nfs/dbraw/zinc/36/21/58/185362158.db2.gz VSLDQOCMMMXIOP-YPMHNXCESA-N -1 0 312.410 1.687 50 0 DDAARM CNC(=O)Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071284984 190952584 /nfs/dbraw/zinc/95/25/84/190952584.db2.gz QUYPKXORQOBTNJ-QWHCGFSZSA-N -1 0 304.346 1.270 50 0 DDAARM CCCC(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000084739785 192464190 /nfs/dbraw/zinc/46/41/90/192464190.db2.gz GQVRYCMFNSDJCI-UHFFFAOYSA-N -1 0 324.421 1.929 50 0 DDAARM O=c1[n-]c(CCCNc2ncnc3cc(F)c(F)cc32)n[nH]1 ZINC000072307675 191118882 /nfs/dbraw/zinc/11/88/82/191118882.db2.gz YLRWKQZROOTZKD-UHFFFAOYSA-N -1 0 306.276 1.364 50 0 DDAARM O=C([O-])c1ccccc1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000072401898 191151342 /nfs/dbraw/zinc/15/13/42/191151342.db2.gz YBACMSBRQCAHRS-UHFFFAOYSA-N -1 0 313.309 1.972 50 0 DDAARM COCCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000002177832 352110402 /nfs/dbraw/zinc/11/04/02/352110402.db2.gz SUMGIHZSGUFCON-UHFFFAOYSA-N -1 0 313.404 1.836 50 0 DDAARM Cc1nc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)cs1 ZINC000072434445 191166005 /nfs/dbraw/zinc/16/60/05/191166005.db2.gz YRXZLTZIEMRUJB-UHFFFAOYSA-N -1 0 320.374 1.364 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000072454525 191171700 /nfs/dbraw/zinc/17/17/00/191171700.db2.gz OXZRVGSDCLNURI-ZDUSSCGKSA-N -1 0 303.362 1.642 50 0 DDAARM Cc1nc(C)c(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)o1 ZINC000072480348 191181841 /nfs/dbraw/zinc/18/18/41/191181841.db2.gz WLRZOHAIAARFQE-UHFFFAOYSA-N -1 0 318.333 1.204 50 0 DDAARM CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]2[C@@H](C(=O)[O-])[C@@H]21 ZINC000048546907 352542256 /nfs/dbraw/zinc/54/22/56/352542256.db2.gz QZAJZQPLUXEMRR-MOEBKVSZSA-N -1 0 306.314 1.419 50 0 DDAARM O=C([O-])CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O ZINC000000974434 180838521 /nfs/dbraw/zinc/83/85/21/180838521.db2.gz FZNMEBHOYAUETL-WMZJFQQLSA-N -1 0 307.283 1.536 50 0 DDAARM C[C@@H](CNC(=O)c1ccc(F)c(Cl)c1F)c1nnn[n-]1 ZINC000097102554 353917505 /nfs/dbraw/zinc/91/75/05/353917505.db2.gz BYCVKJVFJRXKQI-YFKPBYRVSA-N -1 0 301.684 1.665 50 0 DDAARM NC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCC2 ZINC000003899981 181054335 /nfs/dbraw/zinc/05/43/35/181054335.db2.gz KHNRLCLSYMLTJQ-VOTSOKGWSA-N -1 0 308.359 1.695 50 0 DDAARM CCOCCC(=O)[N-]S(=O)(=O)c1sc(SC)nc1C ZINC000585135917 354811904 /nfs/dbraw/zinc/81/19/04/354811904.db2.gz IJAFCCGPJBQVOQ-UHFFFAOYSA-N -1 0 324.449 1.405 50 0 DDAARM O=C([O-])CCNC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000004952524 181178993 /nfs/dbraw/zinc/17/89/93/181178993.db2.gz JHWZAEBRPQRFRL-UHFFFAOYSA-N -1 0 302.286 1.736 50 0 DDAARM COC(=O)c1cc(NC(=O)CCCC(=O)[O-])cc(C(=O)OC)c1 ZINC000005020811 181191731 /nfs/dbraw/zinc/19/17/31/181191731.db2.gz ULKQOUVLRHFOAJ-UHFFFAOYSA-N -1 0 323.301 1.453 50 0 DDAARM CCOC(=O)c1c(C)nc(=O)[nH]c1S[C@H](CC)C(=O)[O-] ZINC000005251657 181222585 /nfs/dbraw/zinc/22/25/85/181222585.db2.gz SOICTTLVILTTID-SSDOTTSWSA-N -1 0 300.336 1.210 50 0 DDAARM Nc1nonc1-n1nnc(C(=O)[O-])c1-c1ccc(Cl)s1 ZINC000005484568 181248750 /nfs/dbraw/zinc/24/87/50/181248750.db2.gz MLJZFZRDKAZYSW-UHFFFAOYSA-N -1 0 312.698 1.313 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237717820 202337386 /nfs/dbraw/zinc/33/73/86/202337386.db2.gz XMMLOWAQVDZMNM-CYBMUJFWSA-N -1 0 323.393 1.519 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237682281 202327095 /nfs/dbraw/zinc/32/70/95/202327095.db2.gz JPNYQGSUQGQNCN-SNPRPXQTSA-N -1 0 319.405 1.824 50 0 DDAARM Cc1cccc(-n2cc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)nn2)c1 ZINC000237824637 202364878 /nfs/dbraw/zinc/36/48/78/202364878.db2.gz BHAHPHBWCCVLQW-MRXNPFEDSA-N -1 0 314.345 1.513 50 0 DDAARM O=C([O-])C1(NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 ZINC000237933631 202396288 /nfs/dbraw/zinc/39/62/88/202396288.db2.gz JNXNMXJCLXRQGP-UHFFFAOYSA-N -1 0 302.330 1.089 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccn(-c3ccccc3F)n2)CCC1 ZINC000237989426 202412446 /nfs/dbraw/zinc/41/24/46/202412446.db2.gz HYTHOMBGARMROM-UHFFFAOYSA-N -1 0 303.293 1.749 50 0 DDAARM Nc1nc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cs1 ZINC000091459333 193059454 /nfs/dbraw/zinc/05/94/54/193059454.db2.gz PIMHLDIHNBNMKM-WDEREUQCSA-N -1 0 309.391 1.227 50 0 DDAARM COc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)o1 ZINC000092045689 193147037 /nfs/dbraw/zinc/14/70/37/193147037.db2.gz AOIKWIWQDVMOOE-GHMZBOCLSA-N -1 0 316.313 1.624 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000299753144 304135676 /nfs/dbraw/zinc/13/56/76/304135676.db2.gz WZRGDPXFORMJJJ-AWEZNQCLSA-N -1 0 318.304 1.542 50 0 DDAARM COc1ccccc1OCCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000262116796 203203501 /nfs/dbraw/zinc/20/35/01/203203501.db2.gz FZOYOBJILDHVEE-INIZCTEOSA-N -1 0 307.346 1.787 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cc(F)cc(Br)c1 ZINC000262395146 203282797 /nfs/dbraw/zinc/28/27/97/203282797.db2.gz AXJOXBSKEYKKFB-UWVGGRQHSA-N -1 0 316.126 1.925 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000262453334 203298522 /nfs/dbraw/zinc/29/85/22/203298522.db2.gz HLHKJFOPUGIXCA-ZDUSSCGKSA-N -1 0 322.748 1.607 50 0 DDAARM O=C([O-])COCCNC(=O)c1cc(F)cc(Br)c1 ZINC000093227657 193218692 /nfs/dbraw/zinc/21/86/92/193218692.db2.gz DAWJERGQHVAMDZ-UHFFFAOYSA-N -1 0 320.114 1.419 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn([C@H]2CCOC2)c1 ZINC000096123255 193546344 /nfs/dbraw/zinc/54/63/44/193546344.db2.gz YWCCCHYNCXXOIQ-NSHDSACASA-N -1 0 312.351 1.250 50 0 DDAARM Cc1ccc(C[C@@H](CNC(=O)c2cnn(C)c2)C(=O)[O-])cc1 ZINC000096480545 193663974 /nfs/dbraw/zinc/66/39/74/193663974.db2.gz HSSCCDJNAMNHSE-ZDUSSCGKSA-N -1 0 301.346 1.402 50 0 DDAARM O=C([O-])c1cccc(S(=O)(=O)NCCc2cccs2)c1 ZINC000020565527 182233379 /nfs/dbraw/zinc/23/33/79/182233379.db2.gz JANFWWBGVLTTLF-UHFFFAOYSA-N -1 0 311.384 1.967 50 0 DDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=O)NC1=O ZINC000100149952 193795487 /nfs/dbraw/zinc/79/54/87/193795487.db2.gz WDKUQPOSYZGRIV-QBQSQJOESA-N -1 0 301.327 1.892 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000269043928 207194508 /nfs/dbraw/zinc/19/45/08/207194508.db2.gz SBUYPVWRIAPCOA-CZUORRHYSA-N -1 0 317.385 1.884 50 0 DDAARM COC(=O)c1cc([N-]S(=O)(=O)c2cnn(C)c2)cc(C)c1C ZINC000065592706 184370452 /nfs/dbraw/zinc/37/04/52/184370452.db2.gz FFZPWAMVCJTWGC-UHFFFAOYSA-N -1 0 323.374 1.624 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)nn2C)cc1 ZINC000066247822 184398802 /nfs/dbraw/zinc/39/88/02/184398802.db2.gz WAFTXSIQTLQXGH-UHFFFAOYSA-N -1 0 309.347 1.316 50 0 DDAARM C[C@@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)CC(=O)[O-] ZINC000157923133 197226959 /nfs/dbraw/zinc/22/69/59/197226959.db2.gz WXJJMAFCMOZNOR-MRVPVSSYSA-N -1 0 308.359 1.571 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)nn1C ZINC000236881221 257239546 /nfs/dbraw/zinc/23/95/46/257239546.db2.gz CWUILCRYSYIAEH-UHFFFAOYSA-N -1 0 323.393 1.639 50 0 DDAARM CCOc1ccc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000268982330 257257147 /nfs/dbraw/zinc/25/71/47/257257147.db2.gz NPYPEWLAEJKKQS-CQSZACIVSA-N -1 0 307.346 1.330 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1ccco1 ZINC000071859315 184872196 /nfs/dbraw/zinc/87/21/96/184872196.db2.gz PRQCPWBXYPAKRC-UHFFFAOYSA-N -1 0 312.372 1.374 50 0 DDAARM COc1ccc(C)cc1/C=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000321476518 533375388 /nfs/dbraw/zinc/37/53/88/533375388.db2.gz WREHYMYVXUUUHX-YVARQFDVSA-N -1 0 319.357 1.719 50 0 DDAARM CS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000016158935 134527086 /nfs/dbraw/zinc/52/70/86/134527086.db2.gz LQDSRWORXHXPED-VIFPVBQESA-N -1 0 301.339 1.530 50 0 DDAARM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000069569089 406736595 /nfs/dbraw/zinc/73/65/95/406736595.db2.gz RLEDWXKJKUQEOI-XHDPSFHLSA-N -1 0 322.336 1.753 50 0 DDAARM CC(C)NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000006918518 406743532 /nfs/dbraw/zinc/74/35/32/406743532.db2.gz UNKLICNZPMSRDW-UHFFFAOYSA-N -1 0 313.404 1.415 50 0 DDAARM COc1ccccc1-n1c(=O)[nH]c([O-])c(Cc2ccccc2)c1=O ZINC000009320339 406807387 /nfs/dbraw/zinc/80/73/87/406807387.db2.gz HYXUMVKWPHTQPL-UHFFFAOYSA-N -1 0 324.336 1.831 50 0 DDAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(=O)n(C)n2)cc1 ZINC000009550324 406810973 /nfs/dbraw/zinc/81/09/73/406810973.db2.gz BHPACCDYWHBGHV-CYBMUJFWSA-N -1 0 315.329 1.035 50 0 DDAARM CSc1nc2ncc(C(=O)c3ccccc3[O-])cc2c(=O)[nH]1 ZINC000009586991 406811251 /nfs/dbraw/zinc/81/12/51/406811251.db2.gz FQDGABCVLMHBIB-UHFFFAOYSA-N -1 0 313.338 1.977 50 0 DDAARM CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071287112 406837830 /nfs/dbraw/zinc/83/78/30/406837830.db2.gz QWUIFOKBXKBJLT-NEPJUHHUSA-N -1 0 320.345 1.350 50 0 DDAARM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000012857921 406854571 /nfs/dbraw/zinc/85/45/71/406854571.db2.gz YAKCDOXLXBHYMV-UHFFFAOYSA-N -1 0 307.375 1.547 50 0 DDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc(Br)c(F)c1 ZINC000076068273 406954333 /nfs/dbraw/zinc/95/43/33/406954333.db2.gz PICFJAUWTDMCLB-UHFFFAOYSA-N -1 0 321.131 1.507 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccco1 ZINC000078556608 407034164 /nfs/dbraw/zinc/03/41/64/407034164.db2.gz VTNJTRRFRBVHOD-UHFFFAOYSA-N -1 0 306.343 1.313 50 0 DDAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088374336 407121962 /nfs/dbraw/zinc/12/19/62/407121962.db2.gz DRFDNRCYXLQLQY-QMMMGPOBSA-N -1 0 307.133 1.258 50 0 DDAARM Cc1nn(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c1Cl ZINC000096402426 407259876 /nfs/dbraw/zinc/25/98/76/407259876.db2.gz LVEUFJRCCLLDPA-SNVBAGLBSA-N -1 0 301.774 1.769 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2coc(Br)c2)CC1 ZINC000096402401 407260002 /nfs/dbraw/zinc/26/00/02/407260002.db2.gz KFXPYXVVVRLBID-UHFFFAOYSA-N -1 0 302.124 1.979 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2noc(C(C)C)n2)cn1 ZINC000095358236 407209242 /nfs/dbraw/zinc/20/92/42/407209242.db2.gz DLASQQVHBPPTTM-CYBMUJFWSA-N -1 0 320.349 1.854 50 0 DDAARM Cc1ccc(CC(=O)[N-]S(=O)(=O)N(C)Cc2ccccc2)o1 ZINC000095984619 407221429 /nfs/dbraw/zinc/22/14/29/407221429.db2.gz NQPIGSPCLGKIHT-UHFFFAOYSA-N -1 0 322.386 1.624 50 0 DDAARM Cc1cc(C)c(C)c(C(=O)NCCn2[n-]c(=O)ccc2=O)c1C ZINC000063882418 407236518 /nfs/dbraw/zinc/23/65/18/407236518.db2.gz PYFWXFXBWPJSLA-UHFFFAOYSA-N -1 0 315.373 1.613 50 0 DDAARM CN(C)c1nc(N)cc(N2CCC[C@](CC3CC3)(C(=O)[O-])C2)n1 ZINC000096140998 407240587 /nfs/dbraw/zinc/24/05/87/407240587.db2.gz KMDMZXMGODAUQS-MRXNPFEDSA-N -1 0 319.409 1.596 50 0 DDAARM CC(C)CONC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000123156014 407321354 /nfs/dbraw/zinc/32/13/54/407321354.db2.gz VVVQASLRYQIUBD-UHFFFAOYSA-N -1 0 321.402 1.779 50 0 DDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000097039278 407276371 /nfs/dbraw/zinc/27/63/71/407276371.db2.gz SLKRAXLAOJSCIE-UKRRQHHQSA-N -1 0 313.357 1.915 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000067742598 407282604 /nfs/dbraw/zinc/28/26/04/407282604.db2.gz DVYSSKYANHCGEN-CYBMUJFWSA-N -1 0 313.317 1.459 50 0 DDAARM O=C([O-])/C=C\CC(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000097241050 407289523 /nfs/dbraw/zinc/28/95/23/407289523.db2.gz SHYJZEDZOVTWQZ-KXFIGUGUSA-N -1 0 304.302 1.608 50 0 DDAARM CCOC(=O)c1c([O-])c2cnc(SC)nc2n(C(C)C)c1=O ZINC000100227140 407307569 /nfs/dbraw/zinc/30/75/69/407307569.db2.gz BPKZALDCHAXRIT-UHFFFAOYSA-N -1 0 323.374 1.977 50 0 DDAARM Cc1nnc(NN=c2c3cccc4cccc(c2=O)c34)[n-]c1=O ZINC000254683569 407465950 /nfs/dbraw/zinc/46/59/50/407465950.db2.gz WJCDLUWWZHBMJJ-UHFFFAOYSA-N -1 0 305.297 1.356 50 0 DDAARM O=C([N-]S(=O)(=O)C1CCC1)[C@H]1CCCN1c1nccs1 ZINC000253428642 407448075 /nfs/dbraw/zinc/44/80/75/407448075.db2.gz QVGIKRCOIXAVMI-SNVBAGLBSA-N -1 0 315.420 1.110 50 0 DDAARM CC(C)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)nn1C(C)(C)C ZINC000236600900 407732050 /nfs/dbraw/zinc/73/20/50/407732050.db2.gz BZKRZZBYSJSRHW-ZDUSSCGKSA-N -1 0 323.393 1.687 50 0 DDAARM CC(C)(C)c1ncsc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000236768429 407772752 /nfs/dbraw/zinc/77/27/52/407772752.db2.gz YSXJUGJIWZTQNJ-SECBINFHSA-N -1 0 312.391 1.756 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(N3CCCCC3=O)cc2)CC1 ZINC000237974167 407859336 /nfs/dbraw/zinc/85/93/36/407859336.db2.gz FTAHGBXYELQPEH-UHFFFAOYSA-N -1 0 302.330 1.551 50 0 DDAARM O=C([O-])C1(NC(=O)c2cn(-c3ccccc3Cl)nn2)CCC1 ZINC000237990878 407862471 /nfs/dbraw/zinc/86/24/71/407862471.db2.gz XNZSWDBVCKRAPX-UHFFFAOYSA-N -1 0 320.736 1.658 50 0 DDAARM CCc1nnc([N-]S(=O)(=O)c2cccnc2C(F)(F)F)[nH]1 ZINC000241707044 407913316 /nfs/dbraw/zinc/91/33/16/407913316.db2.gz QMENVTQRZRXSBP-UHFFFAOYSA-N -1 0 321.284 1.582 50 0 DDAARM Cc1cc(CN(C)CC(=O)Nc2cccc(C(=O)[O-])c2)on1 ZINC000244601717 407928583 /nfs/dbraw/zinc/92/85/83/407928583.db2.gz DQUNPJLAPFRLAN-UHFFFAOYSA-N -1 0 303.318 1.752 50 0 DDAARM Cc1cc(C)n(CC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)n1 ZINC000263276661 408087832 /nfs/dbraw/zinc/08/78/32/408087832.db2.gz WTTGGWPGJJPJAI-UHFFFAOYSA-N -1 0 305.309 1.905 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000136487766 408109019 /nfs/dbraw/zinc/10/90/19/408109019.db2.gz QOYBVSZYYIDODX-GFCCVEGCSA-N -1 0 320.374 1.467 50 0 DDAARM COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263573547 408180358 /nfs/dbraw/zinc/18/03/58/408180358.db2.gz MMNIJQKUGZYDCL-KBPBESRZSA-N -1 0 307.346 1.190 50 0 DDAARM CCc1nnsc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250141189 408776181 /nfs/dbraw/zinc/77/61/81/408776181.db2.gz UERRBHREPNYGSJ-GDPRMGEGSA-N -1 0 309.391 1.958 50 0 DDAARM CO[C@H](C)[C@H](C)NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000276258131 408827850 /nfs/dbraw/zinc/82/78/50/408827850.db2.gz FHQKPLZLQOTYBM-WDEREUQCSA-N -1 0 315.391 1.703 50 0 DDAARM Cc1cc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)nn1C ZINC000262902732 163891153 /nfs/dbraw/zinc/89/11/53/163891153.db2.gz DAJHKQGMFNGHRM-LLVKDONJSA-N -1 0 317.345 1.683 50 0 DDAARM Cc1cc(C)n([C@H](C)CC(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC000263260181 163939730 /nfs/dbraw/zinc/93/97/30/163939730.db2.gz GEOWYMITCNLGIT-CHWSQXEVSA-N -1 0 309.366 1.153 50 0 DDAARM Cc1cc(S(=O)(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])ccc1F ZINC000650232251 423093002 /nfs/dbraw/zinc/09/30/02/423093002.db2.gz RENFLENIUHTEHA-BXKDBHETSA-N -1 0 301.339 1.760 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000119563357 418502818 /nfs/dbraw/zinc/50/28/18/418502818.db2.gz XLADKVRRFQWNNL-MRXNPFEDSA-N -1 0 304.346 1.945 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCN1Cc1nnnn1Cc1ccccc1 ZINC000309579362 418590017 /nfs/dbraw/zinc/59/00/17/418590017.db2.gz UCOVTOWSGOKIDY-HNNXBMFYSA-N -1 0 301.350 1.161 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@]1(c2cccs2)CC1(C)C ZINC000426734513 228599163 /nfs/dbraw/zinc/59/91/63/228599163.db2.gz NPTOZQXXQFLINP-OAHLLOKOSA-N -1 0 311.403 1.975 50 0 DDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)OCO2 ZINC000299749001 229390534 /nfs/dbraw/zinc/39/05/34/229390534.db2.gz IVYFKBIRBYEEJE-GFCCVEGCSA-N -1 0 321.329 1.511 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2OCC2CC2)CCO1 ZINC000299748757 229391304 /nfs/dbraw/zinc/39/13/04/229391304.db2.gz IBWADWMLIBNDIL-AWEZNQCLSA-N -1 0 305.330 1.401 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCc2cc3ccccc3o2)CCO1 ZINC000299749398 229394537 /nfs/dbraw/zinc/39/45/37/229394537.db2.gz KESKWJRAZUFSQC-CQSZACIVSA-N -1 0 303.314 1.677 50 0 DDAARM COCCCN1C(=O)C[C@@](CC(=O)[O-])(c2ccccc2C)C1=O ZINC000299772808 229420852 /nfs/dbraw/zinc/42/08/52/229420852.db2.gz AVGRWTPMIUXDMK-QGZVFWFLSA-N -1 0 319.357 1.503 50 0 DDAARM COc1ccc2c(c1)[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])CCC2 ZINC000655541192 424554785 /nfs/dbraw/zinc/55/47/85/424554785.db2.gz YFQBFIYFBKNUOC-DZGCQCFKSA-N -1 0 319.357 1.427 50 0 DDAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccco2)CC1 ZINC000004241881 278399969 /nfs/dbraw/zinc/39/99/69/278399969.db2.gz ITLDLSSPUNZCOX-GFCCVEGCSA-N -1 0 310.350 1.958 50 0 DDAARM COc1cc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])cc(OC)c1 ZINC000492183536 294912151 /nfs/dbraw/zinc/91/21/51/294912151.db2.gz QYNHVGUJNMPZSB-NQHOJNORSA-N -1 0 321.329 1.029 50 0 DDAARM COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000016041759 295156390 /nfs/dbraw/zinc/15/63/90/295156390.db2.gz SMLSGZWTQNCHJF-BRXULGCHSA-N -1 0 301.298 1.066 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C/C=C\c2cccc(F)c2)CCO1 ZINC000362809049 300146123 /nfs/dbraw/zinc/14/61/23/300146123.db2.gz NOYXTVGGMOBGTG-CTGSTSKSSA-N -1 0 307.321 1.931 50 0 DDAARM O=C([O-])CCn1cc(CN2CCOc3ccccc3C2)cn1 ZINC000534574480 334287462 /nfs/dbraw/zinc/28/74/62/334287462.db2.gz HVQWUZXGZZUMEF-UHFFFAOYSA-N -1 0 301.346 1.752 50 0 DDAARM COc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)c(O)c1 ZINC000663122619 484685930 /nfs/dbraw/zinc/68/59/30/484685930.db2.gz LJKPYWVXRCHIIA-UHFFFAOYSA-N -1 0 309.318 1.155 50 0 DDAARM CSC[C@H](NC(=O)N(C)CCOc1ccccc1)C(=O)[O-] ZINC000670453099 484840575 /nfs/dbraw/zinc/84/05/75/484840575.db2.gz KNJAFZSKRCVWMQ-LBPRGKRZSA-N -1 0 312.391 1.523 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000299751355 534525560 /nfs/dbraw/zinc/52/55/60/534525560.db2.gz QMNHHTWOBNGRIG-ZDUSSCGKSA-N -1 0 322.748 1.676 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000299752599 529355062 /nfs/dbraw/zinc/35/50/62/529355062.db2.gz UROUQSUIKHYMCK-MRXNPFEDSA-N -1 0 307.346 1.760 50 0 DDAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000004599964 696011428 /nfs/dbraw/zinc/01/14/28/696011428.db2.gz COJKTIPDXXCMAE-UWVGGRQHSA-N -1 0 319.313 1.458 50 0 DDAARM C/C(=C/C(=O)[N-]S(=O)(=O)Cc1ccon1)c1ccncc1 ZINC000126099427 696758902 /nfs/dbraw/zinc/75/89/02/696758902.db2.gz YZMJNHNMBJSSTL-NTMALXAHSA-N -1 0 307.331 1.119 50 0 DDAARM C[C@@H](NC(=O)CCSCc1ccc(F)cc1)c1n[nH]c(=O)[n-]1 ZINC000220161359 749436771 /nfs/dbraw/zinc/43/67/71/749436771.db2.gz NFXIBGVZNUFQPA-SECBINFHSA-N -1 0 324.381 1.738 50 0 DDAARM Cc1ccccc1-n1cc(CN2CCO[C@@H](C(=O)[O-])C2)cn1 ZINC000828488902 759651980 /nfs/dbraw/zinc/65/19/80/759651980.db2.gz RDTAWXLSQBHPOX-OAHLLOKOSA-N -1 0 301.346 1.466 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000316446456 231149807 /nfs/dbraw/zinc/14/98/07/231149807.db2.gz SCVPHKNJMKIBOV-WMHVBEDNSA-N -1 0 303.314 1.752 50 0 DDAARM C[C@H](NC(=O)c1cccc(C(=O)[O-])n1)c1nc(C(C)(C)C)no1 ZINC000262406444 539275739 /nfs/dbraw/zinc/27/57/39/539275739.db2.gz NFYIPOPXRXILBY-QMMMGPOBSA-N -1 0 318.333 1.951 50 0 DDAARM CNC(=O)c1cccc(CCC(=O)N2CCC[C@]2(C)C(=O)[O-])c1 ZINC000263381267 539276062 /nfs/dbraw/zinc/27/60/62/539276062.db2.gz BLMAWRSBJLHOHT-QGZVFWFLSA-N -1 0 318.373 1.445 50 0 DDAARM CCC[C@@H](NC(=O)c1ccc(CC)c([N+](=O)[O-])c1)c1nnn[n-]1 ZINC000095411832 185357691 /nfs/dbraw/zinc/35/76/91/185357691.db2.gz WGMSPYIPMZIYFX-LLVKDONJSA-N -1 0 318.337 1.942 50 0 DDAARM Cc1cccc(C[C@@H](CNC(=O)[C@@H](C)n2cccn2)C(=O)[O-])c1 ZINC000095425401 185361572 /nfs/dbraw/zinc/36/15/72/185361572.db2.gz VYTOADWWEHRICB-HIFRSBDPSA-N -1 0 315.373 1.812 50 0 DDAARM CC(C)Cn1ncc2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])cnc21 ZINC000236615899 201937106 /nfs/dbraw/zinc/93/71/06/201937106.db2.gz JGTGIMHQBZFGRV-CYBMUJFWSA-N -1 0 316.361 1.777 50 0 DDAARM O=C([O-])C1(C(=O)NCc2ccc(Br)s2)CC1 ZINC000070600835 190908038 /nfs/dbraw/zinc/90/80/38/190908038.db2.gz YAPGHPVJPJVYFZ-UHFFFAOYSA-N -1 0 304.165 1.992 50 0 DDAARM Cc1cccc(C(=O)N2CCn3nc(CCC(=O)[O-])cc3C2)n1 ZINC000072144377 191050971 /nfs/dbraw/zinc/05/09/71/191050971.db2.gz HEHPNCVPPMGBAN-UHFFFAOYSA-N -1 0 314.345 1.260 50 0 DDAARM Cc1oc(CN(C)C(=O)c2cccn(C)c2=O)cc1C(=O)[O-] ZINC000262840844 186311358 /nfs/dbraw/zinc/31/13/58/186311358.db2.gz ZQMGXQCGIOMUJD-UHFFFAOYSA-N -1 0 304.302 1.257 50 0 DDAARM O=C([O-])C1CCN(Cc2cnnn2-c2ccccc2F)CC1 ZINC000072333123 191125408 /nfs/dbraw/zinc/12/54/08/191125408.db2.gz XBJZFAUERUTQRQ-UHFFFAOYSA-N -1 0 304.325 1.703 50 0 DDAARM Cc1nc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)co1 ZINC000072410991 191153670 /nfs/dbraw/zinc/15/36/70/191153670.db2.gz FDZGJBXNCYLYPW-UHFFFAOYSA-N -1 0 304.350 1.603 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 ZINC000072447914 191170357 /nfs/dbraw/zinc/17/03/57/191170357.db2.gz CDVNRSNXZFJPMY-CQSZACIVSA-N -1 0 317.389 1.950 50 0 DDAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1ccc2c(c1)CCO2 ZINC000072469577 191175569 /nfs/dbraw/zinc/17/55/69/191175569.db2.gz RFFIDHHUHJCENJ-CQSZACIVSA-N -1 0 313.313 1.169 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@@H]1CC=CCC1)C2 ZINC000072474179 191176526 /nfs/dbraw/zinc/17/65/26/191176526.db2.gz FFUBDVPZPTZUEE-CYBMUJFWSA-N -1 0 317.389 1.989 50 0 DDAARM O=C([O-])[C@H]1SCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000306205 180754535 /nfs/dbraw/zinc/75/45/35/180754535.db2.gz RYMKROKXVBLIBL-CYBMUJFWSA-N -1 0 323.395 1.988 50 0 DDAARM COc1cc(C(=O)NCC(=O)[O-])cc(Br)c1OC ZINC000000406064 180778080 /nfs/dbraw/zinc/77/80/80/180778080.db2.gz MXFLJHWUVDCLRL-UHFFFAOYSA-N -1 0 318.123 1.281 50 0 DDAARM Cc1ccccc1C[C@@H](CNC(=O)c1cnn(C)c1)C(=O)[O-] ZINC000097228530 353917909 /nfs/dbraw/zinc/91/79/09/353917909.db2.gz LPOSLGYXJWMOKE-ZDUSSCGKSA-N -1 0 301.346 1.402 50 0 DDAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000004682698 181136414 /nfs/dbraw/zinc/13/64/14/181136414.db2.gz VYKCNKPREQROIX-GFCCVEGCSA-N -1 0 308.353 1.975 50 0 DDAARM C/C(=C\C(=O)N1CCC(C(=O)[O-])([S@@](C)=O)CC1)C(C)(C)C ZINC000585134332 354811212 /nfs/dbraw/zinc/81/12/12/354811212.db2.gz NSBACUYHRVRFCC-RQWLHQTBSA-N -1 0 315.435 1.803 50 0 DDAARM Cc1ccccc1CC(=O)N1CC2(COC2)[C@@](F)(C(=O)[O-])C1 ZINC000585134296 354811322 /nfs/dbraw/zinc/81/13/22/354811322.db2.gz LYWRVHTZYVFYPA-INIZCTEOSA-N -1 0 307.321 1.189 50 0 DDAARM CC(C)C[C@H](CNC(=O)c1cnc2cccnn21)CC(=O)[O-] ZINC000585135019 354812051 /nfs/dbraw/zinc/81/20/51/354812051.db2.gz UOPODKMLCIVERL-NSHDSACASA-N -1 0 304.350 1.596 50 0 DDAARM COCc1cc(=O)n2[n-]cc(S(=O)(=O)c3ccccc3)c2n1 ZINC000005701571 181274214 /nfs/dbraw/zinc/27/42/14/181274214.db2.gz NKUBHKAOOJWRDA-UHFFFAOYSA-N -1 0 319.342 1.414 50 0 DDAARM FC(F)(F)c1n[n-]c(=NCc2cc3n(n2)CCCO3)s1 ZINC000624362683 366327806 /nfs/dbraw/zinc/32/78/06/366327806.db2.gz AHRBEYYEAJLQRI-UHFFFAOYSA-N -1 0 305.285 1.570 50 0 DDAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccccc2)CC1 ZINC000219071781 304070326 /nfs/dbraw/zinc/07/03/26/304070326.db2.gz OHRQDMUHTWQKEE-ZIAGYGMSSA-N -1 0 319.357 1.093 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000237279852 202215335 /nfs/dbraw/zinc/21/53/35/202215335.db2.gz FFKWTLJCVVZYDA-CMPLNLGQSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032185758 304075100 /nfs/dbraw/zinc/07/51/00/304075100.db2.gz WOHAPEPOGUHCQJ-NSHDSACASA-N -1 0 301.339 1.844 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N(C)C[C@H](C)C(=O)[O-])C2=O)cc1 ZINC000237397674 202254665 /nfs/dbraw/zinc/25/46/65/202254665.db2.gz QTECFUJPBCZTHM-GXTWGEPZSA-N -1 0 318.373 1.527 50 0 DDAARM O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032185759 304082742 /nfs/dbraw/zinc/08/27/42/304082742.db2.gz WOHAPEPOGUHCQJ-LLVKDONJSA-N -1 0 301.339 1.844 50 0 DDAARM Cc1ccc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c(C)nc2c1 ZINC000237888752 202380557 /nfs/dbraw/zinc/38/05/57/202380557.db2.gz HZDNENAEIJYIDY-HNNXBMFYSA-N -1 0 314.341 1.777 50 0 DDAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000195090827 201338441 /nfs/dbraw/zinc/33/84/41/201338441.db2.gz FJCOMFVUFLZSBP-SNVBAGLBSA-N -1 0 302.334 1.675 50 0 DDAARM CCn1ncc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)c1C ZINC000006706457 181374898 /nfs/dbraw/zinc/37/48/98/181374898.db2.gz OHTSUQUNAGAREW-UHFFFAOYSA-N -1 0 323.374 1.799 50 0 DDAARM O=C([O-])c1cccc(C[C@H]2CCN(S(=O)(=O)C3CC3)C2)c1 ZINC000092004055 193139451 /nfs/dbraw/zinc/13/94/51/193139451.db2.gz RBISBSNWDYHVHX-GFCCVEGCSA-N -1 0 309.387 1.741 50 0 DDAARM Cc1nc(CN2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)n(C)n1 ZINC000092037739 193144811 /nfs/dbraw/zinc/14/48/11/193144811.db2.gz LQWIJPNRSRSUPU-UONOGXRCSA-N -1 0 318.352 1.563 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224779944 304135003 /nfs/dbraw/zinc/13/50/03/304135003.db2.gz XOTCRUZEDJIZKL-BBBLOLIVSA-N -1 0 309.284 1.667 50 0 DDAARM COc1ccc([C@@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@@H](O)C2)cn1 ZINC000223969177 201664224 /nfs/dbraw/zinc/66/42/24/201664224.db2.gz UZAVPSAVBBWXTL-GPCCPHFNSA-N -1 0 319.317 1.026 50 0 DDAARM CC(C)C(=O)Nc1nc(CC(=O)N[C@@H](C)CC(=O)[O-])cs1 ZINC000262035973 203179051 /nfs/dbraw/zinc/17/90/51/203179051.db2.gz BUPNBIGBJAYTKB-QMMMGPOBSA-N -1 0 313.379 1.260 50 0 DDAARM CC(=O)c1cccc(OCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000262124200 203205432 /nfs/dbraw/zinc/20/54/32/203205432.db2.gz HDFINPJCEVPUNB-MRXNPFEDSA-N -1 0 305.330 1.591 50 0 DDAARM COc1ccc(CCCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000262700923 203386667 /nfs/dbraw/zinc/38/66/67/203386667.db2.gz CEAGIHIXEWXPHR-OAHLLOKOSA-N -1 0 321.373 1.720 50 0 DDAARM C[C@H](CNC(=O)c1nn(-c2ccccc2)c2c1CCC2)C(=O)[O-] ZINC000095970590 193466816 /nfs/dbraw/zinc/46/68/16/193466816.db2.gz TWBRARQMKZBAPF-LLVKDONJSA-N -1 0 313.357 1.812 50 0 DDAARM O=C([O-])[C@@]12CN(C(=O)CC3CC3)C[C@@H]1c1ccccc1OC2 ZINC000096132746 193548631 /nfs/dbraw/zinc/54/86/31/193548631.db2.gz NQEUURBCNGLSOO-CXAGYDPISA-N -1 0 301.342 1.876 50 0 DDAARM CC(C)C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000009547919 181628328 /nfs/dbraw/zinc/62/83/28/181628328.db2.gz HGVNIUNBRVHCNH-CYBMUJFWSA-N -1 0 317.345 1.081 50 0 DDAARM C[C@H](C(=O)[O-])N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000020130798 182189800 /nfs/dbraw/zinc/18/98/00/182189800.db2.gz CBIFWCOHENHKGK-SSDOTTSWSA-N -1 0 311.281 1.945 50 0 DDAARM O=C([O-])c1ccc(CSc2nc3[nH]cnc3c(=O)[nH]2)cc1 ZINC000021807819 182291924 /nfs/dbraw/zinc/29/19/24/182291924.db2.gz DVFPRXBFLPUVGG-UHFFFAOYSA-N -1 0 302.315 1.637 50 0 DDAARM C[C@@](NS(=O)(=O)c1ccc2c(c1)CCC2)(C(=O)[O-])C1CC1 ZINC000037367437 182883951 /nfs/dbraw/zinc/88/39/51/182883951.db2.gz QQVNNIPUMFVVAA-HNNXBMFYSA-N -1 0 309.387 1.707 50 0 DDAARM COc1cccc2c1ccn2CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000040286038 183051675 /nfs/dbraw/zinc/05/16/75/183051675.db2.gz NFNWYYBUICINCJ-LBPRGKRZSA-N -1 0 316.357 1.973 50 0 DDAARM COc1cc(C(=O)[N-]S(C)(=O)=O)cc(Cl)c1OC(C)C ZINC000042280658 183250215 /nfs/dbraw/zinc/25/02/15/183250215.db2.gz LNSICWCZNHXEBY-UHFFFAOYSA-N -1 0 321.782 1.825 50 0 DDAARM C[C@@H](CN(C)C(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC000042695236 183297626 /nfs/dbraw/zinc/29/76/26/183297626.db2.gz VNELSVLJQYJLNR-QMMMGPOBSA-N -1 0 308.359 1.524 50 0 DDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 ZINC000004995854 304212011 /nfs/dbraw/zinc/21/20/11/304212011.db2.gz FYMDPHPYLXMCGD-OXJKWZBOSA-N -1 0 305.717 1.711 50 0 DDAARM C[C@H](C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)n1cccn1 ZINC000111240107 194411119 /nfs/dbraw/zinc/41/11/19/194411119.db2.gz VMBWJYDTQURSRV-LDYMZIIASA-N -1 0 305.256 1.310 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@H]1OCCc2ccccc21 ZINC000268979385 207139203 /nfs/dbraw/zinc/13/92/03/207139203.db2.gz MCOPVVRXZCCUKJ-ZIAGYGMSSA-N -1 0 305.330 1.003 50 0 DDAARM C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269034167 207181913 /nfs/dbraw/zinc/18/19/13/207181913.db2.gz NQUDULHFNPCAQX-HIFRSBDPSA-N -1 0 321.373 1.794 50 0 DDAARM COc1cc(C)c(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000062132563 184207634 /nfs/dbraw/zinc/20/76/34/184207634.db2.gz GRKJKJSSNNBRPS-LLVKDONJSA-N -1 0 313.375 1.407 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000067540835 184471159 /nfs/dbraw/zinc/47/11/59/184471159.db2.gz BVUFGAOUBJWCCU-SNVBAGLBSA-N -1 0 303.293 1.649 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000263307881 304239055 /nfs/dbraw/zinc/23/90/55/304239055.db2.gz WHRLAIBHOUJMRS-LKFCYVNXSA-N -1 0 311.359 1.514 50 0 DDAARM O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)n1nnc2ccccc21 ZINC000000239967 304265388 /nfs/dbraw/zinc/26/53/88/304265388.db2.gz DRRAQDRXXRSLCJ-UHFFFAOYSA-N -1 0 312.241 1.726 50 0 DDAARM Cn1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccsc2)cn1 ZINC000071857704 184870900 /nfs/dbraw/zinc/87/09/00/184870900.db2.gz NGEXPHIULZDTMM-WCQYABFASA-N -1 0 305.359 1.656 50 0 DDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000000621122 406658411 /nfs/dbraw/zinc/65/84/11/406658411.db2.gz ZPJGBLZOVQGRCW-UHFFFAOYSA-N -1 0 322.180 1.834 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000001802225 406678775 /nfs/dbraw/zinc/67/87/75/406678775.db2.gz DZFXLKMJEOGJLV-SECBINFHSA-N -1 0 303.767 1.825 50 0 DDAARM CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000002556695 406689872 /nfs/dbraw/zinc/68/98/72/406689872.db2.gz YJNQRRCNDSQTQO-CYBMUJFWSA-N -1 0 322.361 1.528 50 0 DDAARM O=C([O-])c1nccnc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000003305411 406717652 /nfs/dbraw/zinc/71/76/52/406717652.db2.gz PWOQIUQFNNEYTO-UHFFFAOYSA-N -1 0 312.329 1.137 50 0 DDAARM CC(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1O ZINC000071286023 406837802 /nfs/dbraw/zinc/83/78/02/406837802.db2.gz IGHKQLXPWOYANH-UHFFFAOYSA-N -1 0 301.258 1.335 50 0 DDAARM Cc1nc2c3ccccc3nc(S[C@@H](CCO)C(=O)[O-])n2n1 ZINC000012852216 406854688 /nfs/dbraw/zinc/85/46/88/406854688.db2.gz RVNHJYYEFDGFCH-NSHDSACASA-N -1 0 318.358 1.514 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000072275636 406877309 /nfs/dbraw/zinc/87/73/09/406877309.db2.gz GMTBAEJXQHGIJD-JSGCOSHPSA-N -1 0 323.393 1.649 50 0 DDAARM Cc1cccc(C)c1NC(=O)C[C@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022584974 406889932 /nfs/dbraw/zinc/88/99/32/406889932.db2.gz BOOXIACHMNQHOE-CQSZACIVSA-N -1 0 319.405 1.333 50 0 DDAARM O=C([O-])COc1ccc(CN2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000071524038 406840824 /nfs/dbraw/zinc/84/08/24/406840824.db2.gz KFASHDVESHEVTE-LBPRGKRZSA-N -1 0 319.279 1.913 50 0 DDAARM CC1(C)[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H]1C(=O)[O-] ZINC000034926298 406965386 /nfs/dbraw/zinc/96/53/86/406965386.db2.gz ZBUDMDXRASMIIO-UONOGXRCSA-N -1 0 302.374 1.692 50 0 DDAARM COc1cc2cc(C(=O)NCCC(=O)[O-])[nH]c2c(OC)c1OC ZINC000035686347 406974460 /nfs/dbraw/zinc/97/44/60/406974460.db2.gz BDCSSMKANRYNBI-UHFFFAOYSA-N -1 0 322.317 1.398 50 0 DDAARM CCOc1ncccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000076936237 406975340 /nfs/dbraw/zinc/97/53/40/406975340.db2.gz CWLUCZKHAPVNAK-LLVKDONJSA-N -1 0 300.380 1.791 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2nsnc2c1 ZINC000031817282 406943444 /nfs/dbraw/zinc/94/34/44/406943444.db2.gz BAAXXTGSXKCMID-UHFFFAOYSA-N -1 0 301.287 1.432 50 0 DDAARM O=C(CCn1[n-]c(=O)ccc1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000032674467 406951185 /nfs/dbraw/zinc/95/11/85/406951185.db2.gz DJCXAIAWOIWZCT-UHFFFAOYSA-N -1 0 317.389 1.424 50 0 DDAARM Cn1cnnc1CN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095360424 407208699 /nfs/dbraw/zinc/20/86/99/407208699.db2.gz ZINTUZGHEMVOET-CQSZACIVSA-N -1 0 300.362 1.893 50 0 DDAARM O=C(CCc1nc(C2CC2)no1)NC1(C(=O)[O-])CCCCC1 ZINC000095969538 407218702 /nfs/dbraw/zinc/21/87/02/407218702.db2.gz DNMDCZQZFIFHQR-UHFFFAOYSA-N -1 0 307.350 1.783 50 0 DDAARM O=C(CCOC[C@@H]1CCCO1)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000095970333 407218809 /nfs/dbraw/zinc/21/88/09/407218809.db2.gz YACLWKPZOAWDGX-BFHYXJOUSA-N -1 0 313.394 1.722 50 0 DDAARM COc1ccc(Cl)cc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000095970757 407218830 /nfs/dbraw/zinc/21/88/30/407218830.db2.gz YBUIOUZKTFDNEQ-UHFFFAOYSA-N -1 0 313.737 1.400 50 0 DDAARM CCCCCOc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000096130730 407239678 /nfs/dbraw/zinc/23/96/78/407239678.db2.gz MNGKVMVDOMBYIV-UHFFFAOYSA-N -1 0 319.365 1.989 50 0 DDAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccccc2)c1C(N)=O ZINC000096182138 407243683 /nfs/dbraw/zinc/24/36/83/407243683.db2.gz AESUPKYCRPJHTN-UHFFFAOYSA-N -1 0 308.363 1.111 50 0 DDAARM Cn1cc(CCC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cn1 ZINC000096480143 407270454 /nfs/dbraw/zinc/27/04/54/407270454.db2.gz PPLGKXMKWNPEFF-INIZCTEOSA-N -1 0 313.357 1.563 50 0 DDAARM Cc1n[nH]c(C)c1Cc1n[nH]c(=O)n1-c1cccc(C(=O)[O-])c1 ZINC000067867779 407287893 /nfs/dbraw/zinc/28/78/93/407287893.db2.gz VNGAYPDLYITTQW-UHFFFAOYSA-N -1 0 313.317 1.190 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2ccc(N(C)C)nc2)C[C@H]1C(=O)[O-] ZINC000097716711 407301971 /nfs/dbraw/zinc/30/19/71/407301971.db2.gz MMSPQLKSAYZXFU-CHWSQXEVSA-N -1 0 305.378 1.721 50 0 DDAARM CCC[C@](C)(NS(=O)(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000097990799 407303939 /nfs/dbraw/zinc/30/39/39/407303939.db2.gz TWMBYIHDDRDAQO-NSHDSACASA-N -1 0 323.802 1.304 50 0 DDAARM CCOc1c(OC)cccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347895 407309223 /nfs/dbraw/zinc/30/92/23/407309223.db2.gz CQBWBZNGXMIVAH-NSHDSACASA-N -1 0 316.317 1.669 50 0 DDAARM COc1ccccc1-c1cc(=O)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000101449789 407309689 /nfs/dbraw/zinc/30/96/89/407309689.db2.gz PJTIOCBQHHILHB-SNVBAGLBSA-N -1 0 308.359 1.624 50 0 DDAARM O=C([O-])c1ccccc1Nc1nc(N2CCOCC2)ncc1F ZINC000170621830 407458087 /nfs/dbraw/zinc/45/80/87/407458087.db2.gz KQDXDBWNQWSZOI-UHFFFAOYSA-N -1 0 318.308 1.894 50 0 DDAARM CC(C)(C)CS(=O)(=O)[N-]C(=O)CCc1nc(C2CC2)no1 ZINC000170645741 407462931 /nfs/dbraw/zinc/46/29/31/407462931.db2.gz OBLGYEHNEJVIHH-UHFFFAOYSA-N -1 0 315.395 1.372 50 0 DDAARM CSc1ccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000221426498 407549083 /nfs/dbraw/zinc/54/90/83/407549083.db2.gz KOUNRLBJXXZJMK-GFCCVEGCSA-N -1 0 309.387 1.653 50 0 DDAARM CC(C)(NC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000236686646 407753458 /nfs/dbraw/zinc/75/34/58/407753458.db2.gz WXWXHDIQFTVMEG-UHFFFAOYSA-N -1 0 304.346 1.402 50 0 DDAARM CC(C)(NC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000236665132 407742461 /nfs/dbraw/zinc/74/24/61/407742461.db2.gz ZNZLGHQFIIISLR-UHFFFAOYSA-N -1 0 304.346 1.335 50 0 DDAARM CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000236809052 407776595 /nfs/dbraw/zinc/77/65/95/407776595.db2.gz REGROXUZLTWQFF-QMMMGPOBSA-N -1 0 324.299 1.157 50 0 DDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cnn2cccnc12 ZINC000262221474 407769725 /nfs/dbraw/zinc/76/97/25/407769725.db2.gz MVCPGJSXCROVDQ-NSHDSACASA-N -1 0 302.334 1.589 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000238081943 407886616 /nfs/dbraw/zinc/88/66/16/407886616.db2.gz MPCOLDHMPARZFL-CQSZACIVSA-N -1 0 322.336 1.352 50 0 DDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CC12CCOCC2 ZINC000238147805 407895771 /nfs/dbraw/zinc/89/57/71/407895771.db2.gz MLISBBRHGOJBRC-CQSZACIVSA-N -1 0 303.358 1.917 50 0 DDAARM Cc1c[nH]c(CN(C)CCC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC000244574949 407926941 /nfs/dbraw/zinc/92/69/41/407926941.db2.gz CUBUDLUXKCAGFY-UHFFFAOYSA-N -1 0 322.390 1.938 50 0 DDAARM C[C@H](NC(=O)c1ccc(NC(=O)[C@]2(C)CCCO2)cc1)C(=O)[O-] ZINC000262818054 407944228 /nfs/dbraw/zinc/94/42/28/407944228.db2.gz AHJUADACDCJPEI-QFYYESIMSA-N -1 0 320.345 1.397 50 0 DDAARM CCC[C@H](CNC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)[O-] ZINC000263109189 408026655 /nfs/dbraw/zinc/02/66/55/408026655.db2.gz DIWAIQPDAUOXER-MRVPVSSYSA-N -1 0 319.404 1.382 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CN2CCCCCC2=O)s1 ZINC000263284879 408090688 /nfs/dbraw/zinc/09/06/88/408090688.db2.gz XWUJZOGYQVWRSG-UHFFFAOYSA-N -1 0 310.375 1.465 50 0 DDAARM C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000137174648 408143589 /nfs/dbraw/zinc/14/35/89/408143589.db2.gz VTENMINGPFOBGH-ONGXEEELSA-N -1 0 322.386 1.728 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1SCCc2sccc21 ZINC000268935693 408220199 /nfs/dbraw/zinc/22/01/99/408220199.db2.gz GHXXQFBBCFNESB-GFCCVEGCSA-N -1 0 315.416 1.638 50 0 DDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268963820 408222965 /nfs/dbraw/zinc/22/29/65/408222965.db2.gz BLVIIPFOXZBDSE-SECBINFHSA-N -1 0 318.251 1.334 50 0 DDAARM Cc1nc(NC(=O)CN2CCSCC2)sc1C(=O)[O-] ZINC000252500787 408799672 /nfs/dbraw/zinc/79/96/72/408799672.db2.gz TVISOAKEUNJQEK-UHFFFAOYSA-N -1 0 301.393 1.137 50 0 DDAARM COCCn1cc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000170091825 408820274 /nfs/dbraw/zinc/82/02/74/408820274.db2.gz WYRPTKSMMPXKRW-AAEUAGOBSA-N -1 0 309.366 1.302 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000133069529 196309417 /nfs/dbraw/zinc/30/94/17/196309417.db2.gz TVNJYRJGODQZPI-CABCVRRESA-N -1 0 318.373 1.577 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000647782674 423047637 /nfs/dbraw/zinc/04/76/37/423047637.db2.gz XLIVLCXIRWDJOV-UWVGGRQHSA-N -1 0 320.736 1.758 50 0 DDAARM CCCCC(=O)N1CCC(n2[n-]cc(C(=O)OCC)c2=N)CC1 ZINC000101142410 418493642 /nfs/dbraw/zinc/49/36/42/418493642.db2.gz JVHBVITZCAUVQD-UHFFFAOYSA-N -1 0 322.409 1.826 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000408526063 418809741 /nfs/dbraw/zinc/80/97/41/418809741.db2.gz PIAFMJQZUOMCFK-VUDGCMKMSA-N -1 0 317.341 1.937 50 0 DDAARM O=C([O-])C1(NC(=O)CCNC(=O)c2ccc(F)cc2)CCC1 ZINC000426548660 419505944 /nfs/dbraw/zinc/50/59/44/419505944.db2.gz XYRGBMJGWVTFHJ-UHFFFAOYSA-N -1 0 308.309 1.069 50 0 DDAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCNc1ncccc1C ZINC000426571684 419509840 /nfs/dbraw/zinc/50/98/40/419509840.db2.gz XCQXWNPTMJMRCC-UHFFFAOYSA-N -1 0 316.361 1.875 50 0 DDAARM C[C@@H]1CCC[C@@H](OCC(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000299747740 229390830 /nfs/dbraw/zinc/39/08/30/229390830.db2.gz DXCPOIZBBKBHPD-TZMCWYRMSA-N -1 0 313.394 1.674 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000299749442 229394533 /nfs/dbraw/zinc/39/45/33/229394533.db2.gz KIMKHCUAXXXCNH-UTUOFQBUSA-N -1 0 303.314 1.800 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2Cl)CCO1 ZINC000299752714 229396478 /nfs/dbraw/zinc/39/64/78/229396478.db2.gz VDICCSWTKFLRNA-GVXVVHGQSA-N -1 0 309.749 1.756 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000492153274 421207237 /nfs/dbraw/zinc/20/72/37/421207237.db2.gz GCRYGZHDPIJEEQ-KXQLTZBTSA-N -1 0 321.329 1.029 50 0 DDAARM CC(C)n1c2sc3c(c2c(=O)n(CC(=O)[O-])c1=O)CCCC3 ZINC000006759741 280762553 /nfs/dbraw/zinc/76/25/53/280762553.db2.gz GTZMPMHDVLILNG-UHFFFAOYSA-N -1 0 322.386 1.769 50 0 DDAARM CN(C)C(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000027057812 289034005 /nfs/dbraw/zinc/03/40/05/289034005.db2.gz NXOPAYXVNLDBCQ-NWDGAFQWSA-N -1 0 316.357 1.994 50 0 DDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1ncccc1Cl)CC2 ZINC000095366373 289838014 /nfs/dbraw/zinc/83/80/14/289838014.db2.gz XCUBKGNWMKEOMN-SNVBAGLBSA-N -1 0 323.780 1.637 50 0 DDAARM C[C@H](CN(C)C(=O)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000237581571 298496792 /nfs/dbraw/zinc/49/67/92/298496792.db2.gz UZRHMZDFQGAWPX-LLVKDONJSA-N -1 0 304.346 1.606 50 0 DDAARM C[C@@H](c1ccccn1)N(C)Cc1cnc(NCC(=O)[O-])nc1 ZINC000534649390 334317161 /nfs/dbraw/zinc/31/71/61/334317161.db2.gz ROZJYAGLZBRGHK-NSHDSACASA-N -1 0 301.350 1.561 50 0 DDAARM CCc1nc(=NC[C@@H](CO)Cc2ccncc2Cl)s[n-]1 ZINC000585092237 483920134 /nfs/dbraw/zinc/92/01/34/483920134.db2.gz KSTXNWZJNIEXOE-VIFPVBQESA-N -1 0 312.826 1.834 50 0 DDAARM Cc1ccc(S(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000263471485 484275208 /nfs/dbraw/zinc/27/52/08/484275208.db2.gz HYJWKFUGERKKAJ-TUAOUCFPSA-N -1 0 313.375 1.994 50 0 DDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1ccc(F)cc1 ZINC000299744320 533764610 /nfs/dbraw/zinc/76/46/10/533764610.db2.gz RYSPOJBBSXNQIS-JTQLQIEISA-N -1 0 318.308 1.262 50 0 DDAARM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC000299750759 534037860 /nfs/dbraw/zinc/03/78/60/534037860.db2.gz OHDHNBWDGOUENO-JIMOISOXSA-N -1 0 302.330 1.124 50 0 DDAARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncnc2[nH]ccc21 ZINC000067773944 517938435 /nfs/dbraw/zinc/93/84/35/517938435.db2.gz AIXDHUHZBCSUQP-UHFFFAOYSA-N -1 0 312.358 1.892 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000299750389 534526703 /nfs/dbraw/zinc/52/67/03/534526703.db2.gz NIFFXXVCXRIMMD-LOWVWBTDSA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000491874713 534533520 /nfs/dbraw/zinc/53/35/20/534533520.db2.gz WLNRQPUXMYPXPB-AGLBCWCQSA-N -1 0 317.341 1.794 50 0 DDAARM CC(C)(NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000299363829 527285487 /nfs/dbraw/zinc/28/54/87/527285487.db2.gz ODFMXIKKGIBURH-ZDUSSCGKSA-N -1 0 307.346 1.837 50 0 DDAARM COc1ccc(C(=O)/C=C/c2cnnn2C)cc1CC(=O)[O-] ZINC000170655127 697348258 /nfs/dbraw/zinc/34/82/58/697348258.db2.gz RXLQQSJOVMFYRK-SNAWJCMRSA-N -1 0 301.302 1.347 50 0 DDAARM CN(C)c1ncc(/C=C/C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000952991515 721533502 /nfs/dbraw/zinc/53/35/02/721533502.db2.gz TWZKOTOBMIOFPO-SQRWCISFSA-N -1 0 318.377 1.269 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)CCCC1 ZINC000095500708 185374617 /nfs/dbraw/zinc/37/46/17/185374617.db2.gz HIBQDPXTAMKLCW-NSHDSACASA-N -1 0 320.320 1.765 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2cncc(N3CCCC3)n2)cn1 ZINC000278683625 214324162 /nfs/dbraw/zinc/32/41/62/214324162.db2.gz YXCVPVRILZCRMG-UHFFFAOYSA-N -1 0 322.394 1.094 50 0 DDAARM Cn1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(C2CCCCC2)n1 ZINC000262066472 539275419 /nfs/dbraw/zinc/27/54/19/539275419.db2.gz HXHSRJOAXFZGRC-ZDUSSCGKSA-N -1 0 321.377 1.393 50 0 DDAARM C[C@]1(NC(=O)c2cnn3cccnc23)CCCC[C@H]1C(=O)[O-] ZINC000262741753 539275925 /nfs/dbraw/zinc/27/59/25/539275925.db2.gz JDOZEBSTLFHQDJ-NHYWBVRUSA-N -1 0 302.334 1.493 50 0 DDAARM CC(C)[C@H]1C(=O)NCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263465620 539276210 /nfs/dbraw/zinc/27/62/10/539276210.db2.gz JYJNUTCFUOTIJC-ZDUSSCGKSA-N -1 0 319.361 1.051 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2cnn(C)c2)cc1OC ZINC000095391571 185351618 /nfs/dbraw/zinc/35/16/18/185351618.db2.gz PQURLSPTKSYTML-OAHLLOKOSA-N -1 0 319.361 1.695 50 0 DDAARM Cn1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccc1=O ZINC000139255337 186020728 /nfs/dbraw/zinc/02/07/28/186020728.db2.gz YTURFFZNQLKTLD-AWEZNQCLSA-N -1 0 314.341 1.721 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc(F)c2Cl)CCO1 ZINC000147388270 186039686 /nfs/dbraw/zinc/03/96/86/186039686.db2.gz VWPSTGIIRJBOIM-QMMMGPOBSA-N -1 0 301.701 1.795 50 0 DDAARM C[C@@H](Oc1ccccc1Cl)C(=O)NC(C)(C)c1nnn[n-]1 ZINC000072298088 191113359 /nfs/dbraw/zinc/11/33/59/191113359.db2.gz YOEDQJUGBWFBFW-MRVPVSSYSA-N -1 0 309.757 1.672 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccon2)cc1OC ZINC000225632559 186285171 /nfs/dbraw/zinc/28/51/71/186285171.db2.gz FWTSMAWPANCYPU-UHFFFAOYSA-N -1 0 312.303 1.271 50 0 DDAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)Cn3cncn3)C2)cc1 ZINC000072410319 191153454 /nfs/dbraw/zinc/15/34/54/191153454.db2.gz IMMZHTODGYLXAD-CYBMUJFWSA-N -1 0 314.345 1.068 50 0 DDAARM CCOC(=O)C1=NN=C2C(=O)N(c3ccc(F)cc3)C([O-])=C12 ZINC000000174513 352108858 /nfs/dbraw/zinc/10/88/58/352108858.db2.gz OURRDJXQJCETNT-UHFFFAOYSA-N -1 0 303.249 1.316 50 0 DDAARM CC1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000000264484 180741645 /nfs/dbraw/zinc/74/16/45/180741645.db2.gz NSQBZRMYFVOOBL-UHFFFAOYSA-N -1 0 301.339 1.945 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Cl ZINC000000806117 180833370 /nfs/dbraw/zinc/83/33/70/180833370.db2.gz JASFFPDMUDMTLH-MRVPVSSYSA-N -1 0 319.766 1.496 50 0 DDAARM COc1ccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1OC ZINC000001060881 180844454 /nfs/dbraw/zinc/84/44/54/180844454.db2.gz NXUJBKNZBPNQHM-OLZOCXBDSA-N -1 0 319.357 1.987 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)c1cnc(-c2ncccn2)s1)C1CC1 ZINC000089884851 353781379 /nfs/dbraw/zinc/78/13/79/353781379.db2.gz JIWIYLISAPQDKI-SECBINFHSA-N -1 0 318.358 1.583 50 0 DDAARM Nc1ncnc2c1nc(SCC(=O)[O-])n2Cc1ccccc1 ZINC000003656495 181044114 /nfs/dbraw/zinc/04/41/14/181044114.db2.gz IUOPLVWEXMRRFJ-UHFFFAOYSA-N -1 0 315.358 1.634 50 0 DDAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC000004222948 181086355 /nfs/dbraw/zinc/08/63/55/181086355.db2.gz UOZAIRMXJCRTJN-ZDUSSCGKSA-N -1 0 321.377 1.760 50 0 DDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nnc(N)s1 ZINC000004502741 181116422 /nfs/dbraw/zinc/11/64/22/181116422.db2.gz QKTVWOHFOONNEB-UHFFFAOYSA-N -1 0 324.387 1.858 50 0 DDAARM CC1(C)Cc2nc(N3C[C@@H](C(=O)[O-])CC3=O)sc2C(=O)C1 ZINC000585122772 354810389 /nfs/dbraw/zinc/81/03/89/354810389.db2.gz CVEUQHZIAINUIR-ZETCQYMHSA-N -1 0 308.359 1.736 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc2n(n1)CCO2 ZINC000585134731 354812058 /nfs/dbraw/zinc/81/20/58/354812058.db2.gz HZVSOSLHVNKRBN-DLOVCJGASA-N -1 0 305.334 1.133 50 0 DDAARM Cc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000585140993 354814786 /nfs/dbraw/zinc/81/47/86/354814786.db2.gz NPEBCXIFJDCUEU-SNVBAGLBSA-N -1 0 302.338 1.625 50 0 DDAARM CCCc1noc(CCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000236947263 202086354 /nfs/dbraw/zinc/08/63/54/202086354.db2.gz VMLQTAMTBUXSCI-HNNXBMFYSA-N -1 0 309.366 1.668 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237438265 202265066 /nfs/dbraw/zinc/26/50/66/202265066.db2.gz CRDWUZZKKNVYJJ-VIFPVBQESA-N -1 0 309.366 1.127 50 0 DDAARM O=C([O-])Cc1cc2c(cc1I)OCO2 ZINC000001744262 304088887 /nfs/dbraw/zinc/08/88/87/304088887.db2.gz YKHWCPOAENFQDF-UHFFFAOYSA-N -1 0 306.055 1.647 50 0 DDAARM Cc1csc(N2CCC(C(=O)N3CCC[C@@H]3C(=O)[O-])CC2)n1 ZINC000237642027 202316309 /nfs/dbraw/zinc/31/63/09/202316309.db2.gz NPRJPQZEJUJBDC-GFCCVEGCSA-N -1 0 323.418 1.744 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000237660432 202321103 /nfs/dbraw/zinc/32/11/03/202321103.db2.gz KPISSRXZHJIWQW-OAHLLOKOSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1Cc1ccccc1 ZINC000237765584 202349301 /nfs/dbraw/zinc/34/93/01/202349301.db2.gz OTTQUTWDCNUVGX-AWEZNQCLSA-N -1 0 313.357 1.787 50 0 DDAARM Cc1[nH]c2c(cccc2C(=O)N2CCO[C@H](C(=O)[O-])C2)c1C ZINC000237724398 202340085 /nfs/dbraw/zinc/34/00/85/202340085.db2.gz MBCVBKNWUPVCCP-ZDUSSCGKSA-N -1 0 302.330 1.710 50 0 DDAARM Cc1cc(C)n(CC(=O)Nc2ccc(OCC(=O)[O-])cc2C)n1 ZINC000237848039 202368788 /nfs/dbraw/zinc/36/87/88/202368788.db2.gz MCBZJWFXOQCBDH-UHFFFAOYSA-N -1 0 317.345 1.910 50 0 DDAARM Cc1ccc2nc(C)c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2c1 ZINC000237898586 202384198 /nfs/dbraw/zinc/38/41/98/202384198.db2.gz FDZLETCHITWBOQ-OAHLLOKOSA-N -1 0 314.341 1.777 50 0 DDAARM Cc1ccc2c(c1)N(S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)CC2 ZINC000237852107 202370482 /nfs/dbraw/zinc/37/04/82/202370482.db2.gz FQFXUPZPJUYUQJ-UHFFFAOYSA-N -1 0 306.343 1.773 50 0 DDAARM NC(=O)c1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000195090485 201338786 /nfs/dbraw/zinc/33/87/86/201338786.db2.gz ROXMKAKDUHVTJC-NSHDSACASA-N -1 0 304.346 1.503 50 0 DDAARM O=S(=O)(Cc1ccccn1)c1nnc(Cc2cccs2)[n-]1 ZINC000195162174 201350367 /nfs/dbraw/zinc/35/03/67/201350367.db2.gz TXJHFCWIRKVKGN-UHFFFAOYSA-N -1 0 320.399 1.826 50 0 DDAARM O=C([O-])c1c(NC(=O)C(=O)N2CCCC2)sc2c1CCC2 ZINC000006669672 181368607 /nfs/dbraw/zinc/36/86/07/181368607.db2.gz ZSGCJDYCNBSHQK-UHFFFAOYSA-N -1 0 308.359 1.496 50 0 DDAARM Cc1ncsc1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091646119 193084928 /nfs/dbraw/zinc/08/49/28/193084928.db2.gz GVSGFAWDFGXYHR-NWDGAFQWSA-N -1 0 308.403 1.953 50 0 DDAARM O=C([O-])CNC(=O)CCOc1ccccc1Br ZINC000262702376 203387206 /nfs/dbraw/zinc/38/72/06/203387206.db2.gz LDNUDYYSDWWVHH-UHFFFAOYSA-N -1 0 302.124 1.419 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@H](C)c2ccc(OC)cc2)C1 ZINC000263185574 203443579 /nfs/dbraw/zinc/44/35/79/203443579.db2.gz ZXNBUJYULZGYGP-SJKOYZFVSA-N -1 0 321.373 1.748 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000011866587 181713682 /nfs/dbraw/zinc/71/36/82/181713682.db2.gz UYDIQBGTOJOHEY-UHFFFAOYSA-N -1 0 300.355 1.321 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000013252354 181839383 /nfs/dbraw/zinc/83/93/83/181839383.db2.gz MHWCFCIGKOYFER-OLZOCXBDSA-N -1 0 302.330 1.652 50 0 DDAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019721100 182138659 /nfs/dbraw/zinc/13/86/59/182138659.db2.gz WKQIEBDXYHXCJK-CYBMUJFWSA-N -1 0 320.320 1.254 50 0 DDAARM O=C([O-])CCCNC(=O)CCCNC(=O)OCc1ccccc1 ZINC000019894031 182161384 /nfs/dbraw/zinc/16/13/84/182161384.db2.gz NAGYQBIEQDYHCL-UHFFFAOYSA-N -1 0 322.361 1.674 50 0 DDAARM O=C([O-])CCc1nnc2n(c1=O)N=C(c1ccccc1)CS2 ZINC000020272640 182202302 /nfs/dbraw/zinc/20/23/02/182202302.db2.gz OZXIQDYWXTWUHG-UHFFFAOYSA-N -1 0 316.342 1.014 50 0 DDAARM COCCOc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000269050830 207200771 /nfs/dbraw/zinc/20/07/71/207200771.db2.gz VCYLLYLXMCFBMJ-CQSZACIVSA-N -1 0 323.345 1.028 50 0 DDAARM O=C([O-])CCN(C(=O)[C@@H]1COc2ccccc21)C1CCOCC1 ZINC000364902236 257236146 /nfs/dbraw/zinc/23/61/46/257236146.db2.gz QCAZRCKERYKLAB-CQSZACIVSA-N -1 0 319.357 1.645 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000237645912 257238697 /nfs/dbraw/zinc/23/86/97/257238697.db2.gz ZYIWQHKQSCNIHX-QGZVFWFLSA-N -1 0 314.341 1.394 50 0 DDAARM CCn1nc(C(C)C)cc1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000320700010 257241743 /nfs/dbraw/zinc/24/17/43/257241743.db2.gz RSTTXEDMASRDDV-LBPRGKRZSA-N -1 0 319.365 1.175 50 0 DDAARM COc1ccc(CNC(=O)CC2CCOCC2)cc1C(=O)[O-] ZINC000299750460 533577805 /nfs/dbraw/zinc/57/78/05/533577805.db2.gz NMMPTABPGPGVAT-UHFFFAOYSA-N -1 0 307.346 1.826 50 0 DDAARM COCCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096150331 292274250 /nfs/dbraw/zinc/27/42/50/292274250.db2.gz YLWBGLCOKWLZNQ-MLGOLLRUSA-N -1 0 305.330 1.112 50 0 DDAARM Cc1cc2c([N-]S(=O)(=O)c3cn(C)cn3)cccc2nn1 ZINC000000157066 406625910 /nfs/dbraw/zinc/62/59/10/406625910.db2.gz KNXQKDMUHRFMSK-UHFFFAOYSA-N -1 0 303.347 1.473 50 0 DDAARM O=C([O-])CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 ZINC000000234296 406635170 /nfs/dbraw/zinc/63/51/70/406635170.db2.gz NQOWSDODTLXFGE-UHFFFAOYSA-N -1 0 316.338 1.727 50 0 DDAARM C[C@H]1CCc2c(sc(NC(=O)/C=C/C(=O)[O-])c2C(N)=O)C1 ZINC000002086435 406679798 /nfs/dbraw/zinc/67/97/98/406679798.db2.gz KXNCBDSJOMTCSV-KPJROHGDSA-N -1 0 308.359 1.551 50 0 DDAARM CSCC[C@H](NC(=O)NCCc1ccc(F)cc1)C(=O)[O-] ZINC000002345787 406687386 /nfs/dbraw/zinc/68/73/86/406687386.db2.gz SNBKAWLHUFXNFL-LBPRGKRZSA-N -1 0 314.382 1.874 50 0 DDAARM O=C([O-])CCCCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000070197739 406812157 /nfs/dbraw/zinc/81/21/57/406812157.db2.gz SFGKNBWIHUKXFC-UHFFFAOYSA-N -1 0 308.359 1.716 50 0 DDAARM O=C([O-])COc1ccc(CN2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000071524041 406840455 /nfs/dbraw/zinc/84/04/55/406840455.db2.gz KFASHDVESHEVTE-GFCCVEGCSA-N -1 0 319.279 1.913 50 0 DDAARM COc1cccc(CNC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1OC ZINC000071280057 406835556 /nfs/dbraw/zinc/83/55/56/406835556.db2.gz CWNZWRKGAGVUNU-VXGBXAGGSA-N -1 0 307.346 1.677 50 0 DDAARM COc1cccc(CNC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1OC ZINC000071280058 406835940 /nfs/dbraw/zinc/83/59/40/406835940.db2.gz CWNZWRKGAGVUNU-RYUDHWBXSA-N -1 0 307.346 1.677 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2n[nH]c(-c3ccccc3)n2)[C@@H]1C(=O)[O-] ZINC000071286453 406837918 /nfs/dbraw/zinc/83/79/18/406837918.db2.gz HCZIXSADBLNRLE-VHSXEESVSA-N -1 0 300.318 1.767 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC000013260810 406861745 /nfs/dbraw/zinc/86/17/45/406861745.db2.gz XDSXRJBWXCNOLF-AWEZNQCLSA-N -1 0 316.357 1.532 50 0 DDAARM CSc1nc2n(n1)[C@H](c1ccc(O)cc1)CC(C(=O)[O-])=N2 ZINC000012389677 406843540 /nfs/dbraw/zinc/84/35/40/406843540.db2.gz WEWWJBGNXFJGTI-JTQLQIEISA-N -1 0 304.331 1.689 50 0 DDAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccccc2Cl)cn1 ZINC000075162063 406926186 /nfs/dbraw/zinc/92/61/86/406926186.db2.gz SDLRMKJQADFJIV-UHFFFAOYSA-N -1 0 312.782 1.997 50 0 DDAARM Cc1oc(-c2ccc(C)cc2)nc1CS(=O)(=O)CC(=O)[O-] ZINC000032917384 406956563 /nfs/dbraw/zinc/95/65/63/406956563.db2.gz YBSUDKUBZRMWAY-UHFFFAOYSA-N -1 0 309.343 1.958 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2ccnc(C(=O)[O-])c2)CC1 ZINC000056894669 407211975 /nfs/dbraw/zinc/21/19/75/407211975.db2.gz GKPMJWWIACFBOT-UHFFFAOYSA-N -1 0 307.350 1.837 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)C(C)C ZINC000096010459 407223641 /nfs/dbraw/zinc/22/36/41/407223641.db2.gz SAYXKUURULPAMH-UHFFFAOYSA-N -1 0 301.412 1.617 50 0 DDAARM CCCCn1c(=O)c(C(=O)NCCO)c([O-])c2ccccc21 ZINC000100512463 407308044 /nfs/dbraw/zinc/30/80/44/407308044.db2.gz LGPKOYBVKAUPEJ-UHFFFAOYSA-N -1 0 304.346 1.229 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000122874191 407312887 /nfs/dbraw/zinc/31/28/87/407312887.db2.gz ATZVWSBXSQSITG-ZJUUUORDSA-N -1 0 321.283 1.988 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1F ZINC000236628793 407734985 /nfs/dbraw/zinc/73/49/85/407734985.db2.gz AIQBXQCXSJSAJN-NXIHDVOMSA-N -1 0 307.321 1.931 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000236719963 407760929 /nfs/dbraw/zinc/76/09/29/407760929.db2.gz ORFFNGJQHQMHNQ-PBHICJAKSA-N -1 0 318.373 1.577 50 0 DDAARM C[C@@H]1CCN(C(=O)Cc2cn3ccccc3n2)[C@@H](C(=O)[O-])C1 ZINC000262584563 407873760 /nfs/dbraw/zinc/87/37/60/407873760.db2.gz ZNUJTYWPIILCTF-DGCLKSJQSA-N -1 0 301.346 1.589 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC000238079519 407883699 /nfs/dbraw/zinc/88/36/99/407883699.db2.gz KYPKBZBATRXLFU-LBPRGKRZSA-N -1 0 300.318 1.204 50 0 DDAARM C[C@H](CN(C)S(=O)(=O)c1ccc2c(c1)CCC2)c1nnn[n-]1 ZINC000134048802 407885234 /nfs/dbraw/zinc/88/52/34/407885234.db2.gz OXGOOOBZKIVMLQ-SNVBAGLBSA-N -1 0 321.406 1.113 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCCO1 ZINC000238209945 407899514 /nfs/dbraw/zinc/89/95/14/407899514.db2.gz UNLHOFVJBVXSJH-ZIAGYGMSSA-N -1 0 320.320 1.598 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000240333244 407906644 /nfs/dbraw/zinc/90/66/44/407906644.db2.gz FCKVTCBNTCJBEC-STQMWFEESA-N -1 0 318.304 1.860 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCO1 ZINC000262905385 407966513 /nfs/dbraw/zinc/96/65/13/407966513.db2.gz CAGXSBQCOFFKCZ-UMNHJUIQSA-N -1 0 311.284 1.380 50 0 DDAARM Cc1ocnc1C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000262937524 407977794 /nfs/dbraw/zinc/97/77/94/407977794.db2.gz GKLGLUOPFTWIBS-ZDUSSCGKSA-N -1 0 302.286 1.474 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cc[nH]c(=O)c2)(C(=O)[O-])C1(C)C ZINC000262781609 407928059 /nfs/dbraw/zinc/92/80/59/407928059.db2.gz JDLFBCFQQCFPJO-ZUZCIYMTSA-N -1 0 308.334 1.175 50 0 DDAARM CC(C)Cc1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc(=O)[nH]1 ZINC000262810087 407941999 /nfs/dbraw/zinc/94/19/99/407941999.db2.gz TZUVMKQVZDGMBN-UHFFFAOYSA-N -1 0 318.333 1.519 50 0 DDAARM CCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cn1 ZINC000263009025 408000684 /nfs/dbraw/zinc/00/06/84/408000684.db2.gz LIJLSWWGZBAKQR-CYBMUJFWSA-N -1 0 321.308 1.606 50 0 DDAARM COc1c(C)cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1C ZINC000263294395 408092374 /nfs/dbraw/zinc/09/23/74/408092374.db2.gz SBAOZPMPVMVMTO-CYBMUJFWSA-N -1 0 307.346 1.628 50 0 DDAARM CC(C)c1noc2ncc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc21 ZINC000178266610 408796122 /nfs/dbraw/zinc/79/61/22/408796122.db2.gz DEUPHNCXLMADCX-VIFPVBQESA-N -1 0 303.318 1.893 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2ccc3c(c2)N=S=N3)CC1 ZINC000262741029 163872280 /nfs/dbraw/zinc/87/22/80/163872280.db2.gz GRZQXHRACIKPTJ-UHFFFAOYSA-N -1 0 307.331 1.465 50 0 DDAARM Cc1cccnc1CCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263314385 163948853 /nfs/dbraw/zinc/94/88/53/163948853.db2.gz ILXFTLIHLDMAAI-AAEUAGOBSA-N -1 0 305.378 1.685 50 0 DDAARM COCCCN1C(=O)C[C@](CC(=O)[O-])(c2ccccc2C)C1=O ZINC000299772805 410618477 /nfs/dbraw/zinc/61/84/77/410618477.db2.gz AVGRWTPMIUXDMK-KRWDZBQOSA-N -1 0 319.357 1.503 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)[C@H]1CCCCO1 ZINC000131861980 196205915 /nfs/dbraw/zinc/20/59/15/196205915.db2.gz FKAGKEOZEZUFJE-CYBMUJFWSA-N -1 0 320.370 1.609 50 0 DDAARM Cc1noc(C2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)n1 ZINC000046087471 418445956 /nfs/dbraw/zinc/44/59/56/418445956.db2.gz SWPUDMODKKJVHG-QWHCGFSZSA-N -1 0 319.361 1.751 50 0 DDAARM Cc1ccc(C(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)s1 ZINC000102990473 418495646 /nfs/dbraw/zinc/49/56/46/418495646.db2.gz RTBLBSUQGJGPBF-UHFFFAOYSA-N -1 0 314.370 1.591 50 0 DDAARM Nc1nc2c(c(C(=O)NCc3ccc(C(=O)[O-])o3)n1)CCCC2 ZINC000216996307 418560396 /nfs/dbraw/zinc/56/03/96/418560396.db2.gz OBIZWPBMMFKOOK-UHFFFAOYSA-N -1 0 316.317 1.159 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000408513351 418806080 /nfs/dbraw/zinc/80/60/80/418806080.db2.gz WUNLMWZCKNYRJY-ZDUSSCGKSA-N -1 0 313.313 1.069 50 0 DDAARM CC[C@H](C(=O)[O-])N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000242581741 287512807 /nfs/dbraw/zinc/51/28/07/287512807.db2.gz ODSDKZAEVRVUOU-SECBINFHSA-N -1 0 321.782 1.978 50 0 DDAARM CC(C)(C)NC(=O)N1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426408923 419462010 /nfs/dbraw/zinc/46/20/10/419462010.db2.gz JSMUJIWTWAVNDI-NSHDSACASA-N -1 0 308.382 1.655 50 0 DDAARM O=C(COC[C@@H]1CCCO1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000584906711 422303819 /nfs/dbraw/zinc/30/38/19/422303819.db2.gz QVSJRZGBDJOZFH-LBPRGKRZSA-N -1 0 319.317 1.164 50 0 DDAARM C[C@@H]1CCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)CC1 ZINC000585121975 422307188 /nfs/dbraw/zinc/30/71/88/422307188.db2.gz IFPMBGSKPFMGFZ-LLVKDONJSA-N -1 0 300.366 1.337 50 0 DDAARM CNc1cc(C(=O)N2CCC[C@](CCOC)(C(=O)[O-])C2)ccn1 ZINC000091270362 262545219 /nfs/dbraw/zinc/54/52/19/262545219.db2.gz WSCVVXMOCOTSIW-MRXNPFEDSA-N -1 0 321.377 1.467 50 0 DDAARM CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000041605937 288150360 /nfs/dbraw/zinc/15/03/60/288150360.db2.gz GTZDDLZZFRAYLG-VIFPVBQESA-N -1 0 324.337 1.519 50 0 DDAARM CC(C)Oc1cccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000492158014 279729060 /nfs/dbraw/zinc/72/90/60/279729060.db2.gz VPMZEECOAVTICN-IDTUSYRASA-N -1 0 319.357 1.799 50 0 DDAARM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000262830448 301153525 /nfs/dbraw/zinc/15/35/25/301153525.db2.gz BNUFPPGEHMDDBP-YOEHRIQHSA-N -1 0 319.357 1.761 50 0 DDAARM CCc1oc2ccccc2c1CC(=O)NCc1n[n-]c(=N)o1 ZINC000529065735 303086206 /nfs/dbraw/zinc/08/62/06/303086206.db2.gz FFKPIFPSEYIHNV-UHFFFAOYSA-N -1 0 300.318 1.650 50 0 DDAARM CCc1nc(=NCc2ccc(OCC(F)(F)F)nn2)s[n-]1 ZINC000585092712 483920883 /nfs/dbraw/zinc/92/08/83/483920883.db2.gz JVXAMGPDJFXBTH-UHFFFAOYSA-N -1 0 319.312 1.866 50 0 DDAARM CC(C)(C)c1cc(S(C)(=O)=O)c([O-])c(S(C)(=O)=O)c1 ZINC000390834825 490779616 /nfs/dbraw/zinc/77/96/16/490779616.db2.gz FPVNSDYUKOCQOV-UHFFFAOYSA-N -1 0 306.405 1.497 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000299747817 533738886 /nfs/dbraw/zinc/73/88/86/533738886.db2.gz FEAOPICPKJRQIT-ILXRZTDVSA-N -1 0 319.357 1.501 50 0 DDAARM Cc1oc(CNC(=O)c2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000299744728 534545120 /nfs/dbraw/zinc/54/51/20/534545120.db2.gz UQLMBZDYPPETFP-UHFFFAOYSA-N -1 0 303.270 1.945 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Br)cs2)CCO1 ZINC000155898134 526331553 /nfs/dbraw/zinc/33/15/53/526331553.db2.gz RBSHYDIMNAMWRY-SSDOTTSWSA-N -1 0 320.164 1.436 50 0 DDAARM CC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000299748035 527154224 /nfs/dbraw/zinc/15/42/24/527154224.db2.gz FXMPQNJETYRISH-GHMZBOCLSA-N -1 0 305.330 1.530 50 0 DDAARM C/C(=C/C(=O)N1CCOC[C@@H]1C(=O)[O-])CCc1ccccc1 ZINC000328594779 527498042 /nfs/dbraw/zinc/49/80/42/527498042.db2.gz BLUJBIZZQJUIIZ-BMOGTNHUSA-N -1 0 303.358 1.878 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000238087815 527605319 /nfs/dbraw/zinc/60/53/19/527605319.db2.gz WAQXRSVBJOONJY-UHFFFAOYSA-N -1 0 302.330 1.503 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc2ncccc2c1 ZINC000220151649 563843481 /nfs/dbraw/zinc/84/34/81/563843481.db2.gz JBWRDAHZJMHSTD-ZDUSSCGKSA-N -1 0 300.314 1.551 50 0 DDAARM O=C([O-])C[C@@H]1Oc2ccccc2N(CCn2cccc2)C1=O ZINC000063846573 696331392 /nfs/dbraw/zinc/33/13/92/696331392.db2.gz LGXFEGVJRCBQAC-AWEZNQCLSA-N -1 0 300.314 1.757 50 0 DDAARM O=C(NCc1ccc(F)cc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000581791033 736196616 /nfs/dbraw/zinc/19/66/16/736196616.db2.gz KZMXTAPNJZKMEN-LLVKDONJSA-N -1 0 304.329 1.428 50 0 DDAARM C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1nc(-c2ccccc2)no1 ZINC000822284888 758199307 /nfs/dbraw/zinc/19/93/07/758199307.db2.gz IPLCSVMIMMYXHQ-ZETCQYMHSA-N -1 0 300.278 1.051 50 0 DDAARM CC(C)(C)c1cc(C(=O)NC2(C(=O)[O-])CCCC2)[nH]c(=O)n1 ZINC000217052166 771018614 /nfs/dbraw/zinc/01/86/14/771018614.db2.gz AMPQZQWTGNTHNI-UHFFFAOYSA-N -1 0 307.350 1.195 50 0 DDAARM C/C(=C\C(=O)[N-]S(=O)(=O)Cc1ccon1)c1ccncc1 ZINC000584907911 771884540 /nfs/dbraw/zinc/88/45/40/771884540.db2.gz YZMJNHNMBJSSTL-CSKARUKUSA-N -1 0 307.331 1.119 50 0 DDAARM CCCc1ncncc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000219587696 771933705 /nfs/dbraw/zinc/93/37/05/771933705.db2.gz SBUREKAJOVOHTI-QWHCGFSZSA-N -1 0 305.378 1.858 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@@](O)(C(F)(F)C(=O)[O-])CC1 ZINC000952876507 775624698 /nfs/dbraw/zinc/62/46/98/775624698.db2.gz UCSZCWLALJIGJM-LBPRGKRZSA-N -1 0 309.309 1.858 50 0 DDAARM CN(C)S(=O)(=O)Nc1ccc(-c2nn(C)cc2C(=O)[O-])cc1 ZINC000328587457 231232045 /nfs/dbraw/zinc/23/20/45/231232045.db2.gz VIXGCWHWTRZUBH-UHFFFAOYSA-N -1 0 324.362 1.004 50 0 DDAARM Cc1nc([C@H]2CN(C(=O)c3ccc(F)cc3[O-])CCO2)no1 ZINC000328587911 231232693 /nfs/dbraw/zinc/23/26/93/231232693.db2.gz JSXHYFPOKVRCEZ-GFCCVEGCSA-N -1 0 307.281 1.436 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)CSc1ccccc1 ZINC000222701365 539265748 /nfs/dbraw/zinc/26/57/48/539265748.db2.gz URBUZQHQLATFJL-ZDUSSCGKSA-N -1 0 317.370 1.540 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000095424871 185361513 /nfs/dbraw/zinc/36/15/13/185361513.db2.gz BOIMZQNIKGLEAV-HWPZZCPQSA-N -1 0 309.410 1.975 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCCNC(=O)Nc1ccccc1 ZINC000072400538 191151004 /nfs/dbraw/zinc/15/10/04/191151004.db2.gz UORPATOUVFRQBT-RYUDHWBXSA-N -1 0 319.361 1.281 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)CCn2cccc2)CC1 ZINC000072448108 191170441 /nfs/dbraw/zinc/17/04/41/191170441.db2.gz PAMWQCJVQMLGOR-UHFFFAOYSA-N -1 0 316.361 1.177 50 0 DDAARM COc1cc(S(=O)(=O)[O-])c(C)cc1NC(=O)CC(C)=O ZINC000002510665 180929208 /nfs/dbraw/zinc/92/92/08/180929208.db2.gz YTSYXEDYBAQECZ-UHFFFAOYSA-N -1 0 301.320 1.168 50 0 DDAARM COc1ccc(Nc2c3c[nH]nc3nc3c(=O)[n-][nH]c(=O)c32)cc1 ZINC000075271175 353357334 /nfs/dbraw/zinc/35/73/34/353357334.db2.gz NBMAVWFPHLOLDG-UHFFFAOYSA-N -1 0 324.300 1.652 50 0 DDAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000003375404 181012737 /nfs/dbraw/zinc/01/27/37/181012737.db2.gz YFIGYXORZPWDMZ-SOFGYWHQSA-N -1 0 313.375 1.870 50 0 DDAARM O=C(CN1CCN(C(=O)c2c([O-])cccc2F)CC1)C1CC1 ZINC000225398745 354317560 /nfs/dbraw/zinc/31/75/60/354317560.db2.gz ZBPLTHBGRPMWOG-UHFFFAOYSA-N -1 0 306.337 1.268 50 0 DDAARM COc1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)cc(OC)c1OC ZINC000387121260 354633460 /nfs/dbraw/zinc/63/34/60/354633460.db2.gz ZAMKPCSFAJVUMD-TVQRCGJNSA-N -1 0 309.318 1.316 50 0 DDAARM COC(=O)CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1 ZINC000004853694 181163039 /nfs/dbraw/zinc/16/30/39/181163039.db2.gz OUFDZLTUCZBFMK-UHFFFAOYSA-N -1 0 304.324 1.202 50 0 DDAARM O=C([O-])c1cc(Nc2nc3c(c(=O)[nH]2)CCCC3)ccc1O ZINC000073647922 191336058 /nfs/dbraw/zinc/33/60/58/191336058.db2.gz WEEVUQWAYDQSOK-UHFFFAOYSA-N -1 0 301.302 1.796 50 0 DDAARM CCc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000237098128 202153463 /nfs/dbraw/zinc/15/34/63/202153463.db2.gz ZQJYIGLPKJQRHV-LBPRGKRZSA-N -1 0 313.357 1.981 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCCc3ccccc32)CCO1 ZINC000269045137 304077275 /nfs/dbraw/zinc/07/72/75/304077275.db2.gz SGCDWODKGFIQRM-HIFRSBDPSA-N -1 0 303.358 1.809 50 0 DDAARM C[C@H](CN(C)C(=O)C1(c2ccccc2)CCOCC1)C(=O)[O-] ZINC000237542014 202275994 /nfs/dbraw/zinc/27/59/94/202275994.db2.gz YDVMWCSOWPVACG-CYBMUJFWSA-N -1 0 305.374 1.914 50 0 DDAARM C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000237543335 202277934 /nfs/dbraw/zinc/27/79/34/202277934.db2.gz FNZKEUUFSAKEOH-DTWKUNHWSA-N -1 0 310.737 1.282 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000237641540 202313709 /nfs/dbraw/zinc/31/37/09/202313709.db2.gz ZGCHUKVXKOBWNW-HNNXBMFYSA-N -1 0 319.317 1.585 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 ZINC000237645445 202315564 /nfs/dbraw/zinc/31/55/64/202315564.db2.gz IDLUUDCGNSYIHC-INIZCTEOSA-N -1 0 314.345 1.268 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000238070516 202433153 /nfs/dbraw/zinc/43/31/53/202433153.db2.gz TWHACMXVTHXERL-ZDUSSCGKSA-N -1 0 300.314 1.077 50 0 DDAARM Cn1nccc1CCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000190475943 200542467 /nfs/dbraw/zinc/54/24/67/200542467.db2.gz YTZRJVUXDPJCPC-CQSZACIVSA-N -1 0 301.346 1.685 50 0 DDAARM CC(=O)c1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)cc1 ZINC000006681504 181369823 /nfs/dbraw/zinc/36/98/23/181369823.db2.gz TVEXBWOYHOMMKL-UHFFFAOYSA-N -1 0 324.383 1.850 50 0 DDAARM Cn1c(=S)[nH]nc1-c1cccc(-c2n[nH]c(=S)n2C)n1 ZINC000205831330 201427383 /nfs/dbraw/zinc/42/73/83/201427383.db2.gz UKWYMRFNIXDASH-UHFFFAOYSA-N -1 0 305.392 1.998 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)cn1C ZINC000006777845 181386765 /nfs/dbraw/zinc/38/67/65/181386765.db2.gz FDFLUNLHNRLCRJ-UHFFFAOYSA-N -1 0 308.359 1.921 50 0 DDAARM O=C([O-])c1ccccc1-c1ncc(F)c(N2CCOCC2)n1 ZINC000215231127 201455814 /nfs/dbraw/zinc/45/58/14/201455814.db2.gz WUUPKDZFYBHBJP-UHFFFAOYSA-N -1 0 303.293 1.818 50 0 DDAARM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000261757717 203109986 /nfs/dbraw/zinc/10/99/86/203109986.db2.gz FENMUXLQNXYLJK-UHFFFAOYSA-N -1 0 311.281 1.719 50 0 DDAARM COc1ccccc1OCCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000262116799 203203191 /nfs/dbraw/zinc/20/31/91/203203191.db2.gz FZOYOBJILDHVEE-MRXNPFEDSA-N -1 0 307.346 1.787 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000262589410 203341543 /nfs/dbraw/zinc/34/15/43/203341543.db2.gz HKMQSJXTTNUVAS-MNOVXSKESA-N -1 0 317.263 1.965 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000262660667 203371177 /nfs/dbraw/zinc/37/11/77/203371177.db2.gz LOQXFLSVZSVMDR-ZDUSSCGKSA-N -1 0 317.345 1.296 50 0 DDAARM CC[C@@H](C)Nc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096131900 193547658 /nfs/dbraw/zinc/54/76/58/193547658.db2.gz LPFOEPBGVJSBBA-LLVKDONJSA-N -1 0 322.409 1.886 50 0 DDAARM CSCC[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000009550292 181629343 /nfs/dbraw/zinc/62/93/43/181629343.db2.gz WIHFIKJBMOSUAE-BXKDBHETSA-N -1 0 315.366 1.916 50 0 DDAARM O=C([O-])c1ccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)cc1 ZINC000016899435 182062430 /nfs/dbraw/zinc/06/24/30/182062430.db2.gz WORSZTGWTREWEA-SNVBAGLBSA-N -1 0 319.342 1.027 50 0 DDAARM O=C([O-])CSCC(=O)Nc1sccc1C(=O)NC1CC1 ZINC000017052734 182071393 /nfs/dbraw/zinc/07/13/93/182071393.db2.gz YYRWJBPTHVQVON-UHFFFAOYSA-N -1 0 314.388 1.397 50 0 DDAARM Cc1n[n-]c(SCC(=O)N[C@H](C)c2ccccc2)nc1=O ZINC000017837402 182086195 /nfs/dbraw/zinc/08/61/95/182086195.db2.gz JQXWWNJHMFNCHH-SECBINFHSA-N -1 0 304.375 1.443 50 0 DDAARM CCn1nc(C)c(CN(C)C(=O)c2nn(C)cc2C(=O)[O-])c1C ZINC000020319282 182206436 /nfs/dbraw/zinc/20/64/36/182206436.db2.gz FIYDUSDCLGBNTP-UHFFFAOYSA-N -1 0 319.365 1.224 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000238081824 304186765 /nfs/dbraw/zinc/18/67/65/304186765.db2.gz GYCMCFBCXSCLTB-CYBMUJFWSA-N -1 0 302.330 1.503 50 0 DDAARM COc1ccc(CNC(=O)c2nsc(C(=O)[O-])c2N)cc1 ZINC000033268042 182698462 /nfs/dbraw/zinc/69/84/62/182698462.db2.gz GBKUZCGRCCUXBT-UHFFFAOYSA-N -1 0 307.331 1.362 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000088374682 304200291 /nfs/dbraw/zinc/20/02/91/304200291.db2.gz KCCGQWBQDYKTHF-SNVBAGLBSA-N -1 0 309.318 1.966 50 0 DDAARM CS(=O)(=O)[N-]C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000040543964 183099385 /nfs/dbraw/zinc/09/93/85/183099385.db2.gz YPTMWSKQIXIFGH-UHFFFAOYSA-N -1 0 312.322 1.489 50 0 DDAARM COCCS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000042808156 183311568 /nfs/dbraw/zinc/31/15/68/183311568.db2.gz HFBXDMPTIIBYBT-UHFFFAOYSA-N -1 0 309.343 1.926 50 0 DDAARM COc1cccc(CCC(=O)N[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000043509865 183368848 /nfs/dbraw/zinc/36/88/48/183368848.db2.gz JPTFENHCIUWUIK-HNNXBMFYSA-N -1 0 309.387 1.704 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000268967771 207132285 /nfs/dbraw/zinc/13/22/85/207132285.db2.gz FDPDVTUJSRRXES-NSHDSACASA-N -1 0 317.263 1.560 50 0 DDAARM O=C([O-])c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000000248568 304244903 /nfs/dbraw/zinc/24/49/03/304244903.db2.gz NYCJFDQLNWQJAX-UHFFFAOYSA-N -1 0 302.311 1.498 50 0 DDAARM CN(C(=O)C1(C(=O)[O-])CC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000154888005 197002489 /nfs/dbraw/zinc/00/24/89/197002489.db2.gz PDILNJIDOZGONS-LBPRGKRZSA-N -1 0 320.320 1.254 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1nc2ccccc2o1 ZINC000316735164 257236709 /nfs/dbraw/zinc/23/67/09/257236709.db2.gz JVQWHOZDFWXGHE-MVIFTORASA-N -1 0 302.286 1.153 50 0 DDAARM CCOc1ccccc1OCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000071831251 184859835 /nfs/dbraw/zinc/85/98/35/184859835.db2.gz PTWZFQKDRQNNHG-LBPRGKRZSA-N -1 0 307.346 1.930 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000000205254 406632153 /nfs/dbraw/zinc/63/21/53/406632153.db2.gz FFFNGXGWKIDRLJ-UONOGXRCSA-N -1 0 315.373 1.397 50 0 DDAARM CCC[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001575976 406673163 /nfs/dbraw/zinc/67/31/63/406673163.db2.gz LDWKLEOJLPWEIE-WCQYABFASA-N -1 0 322.361 1.671 50 0 DDAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000004241948 406722640 /nfs/dbraw/zinc/72/26/40/406722640.db2.gz JCPCVUPCEXUFGD-NSHDSACASA-N -1 0 308.334 1.306 50 0 DDAARM CSCC[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000009550291 406811040 /nfs/dbraw/zinc/81/10/40/406811040.db2.gz WIHFIKJBMOSUAE-JOYOIKCWSA-N -1 0 315.366 1.916 50 0 DDAARM Cc1ccc(-c2cc(C(=O)[O-])nn2[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000011801575 406830448 /nfs/dbraw/zinc/83/04/48/406830448.db2.gz PLNNWSWSDKVVIY-GFCCVEGCSA-N -1 0 320.370 1.916 50 0 DDAARM CN(C)C(=O)Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071285112 406836279 /nfs/dbraw/zinc/83/62/79/406836279.db2.gz QLWOAIMSJKYMEJ-KGLIPLIRSA-N -1 0 318.373 1.613 50 0 DDAARM CN1C(=O)COc2cc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)ccc21 ZINC000071287291 406837079 /nfs/dbraw/zinc/83/70/79/406837079.db2.gz PJWXYJYIJOWZLJ-CHWSQXEVSA-N -1 0 318.329 1.337 50 0 DDAARM CCc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)s1 ZINC000073840475 406895174 /nfs/dbraw/zinc/89/51/74/406895174.db2.gz ZOHFCQDPYUQPHS-UHFFFAOYSA-N -1 0 309.376 1.549 50 0 DDAARM O=C([O-])CCN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000035687013 406974692 /nfs/dbraw/zinc/97/46/92/406974692.db2.gz OJJZYPIRZQGWEZ-UHFFFAOYSA-N -1 0 314.744 1.712 50 0 DDAARM Cc1noc(C)c1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000030032014 406930246 /nfs/dbraw/zinc/93/02/46/406930246.db2.gz HWDYZASHQJRVFN-UHFFFAOYSA-N -1 0 318.358 1.862 50 0 DDAARM CC(=O)c1cc(C(=O)NCc2nc(C(=O)[O-])cs2)n(C)c1 ZINC000090932524 407172323 /nfs/dbraw/zinc/17/23/23/407172323.db2.gz IEXKYZAYTUUXGD-UHFFFAOYSA-N -1 0 307.331 1.312 50 0 DDAARM CCCn1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(C)n1 ZINC000091270420 407182295 /nfs/dbraw/zinc/18/22/95/407182295.db2.gz HXJVQXWRNYQHRD-UONOGXRCSA-N -1 0 305.378 1.784 50 0 DDAARM O=C([O-])c1cccc(CNC(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000095352026 407207811 /nfs/dbraw/zinc/20/78/11/407207811.db2.gz LQIWTMKLSNRSKB-UHFFFAOYSA-N -1 0 323.312 1.291 50 0 DDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1ncccc1F)CC2 ZINC000095374389 407210825 /nfs/dbraw/zinc/21/08/25/407210825.db2.gz OKDNCYHENMKCAC-JTQLQIEISA-N -1 0 307.325 1.123 50 0 DDAARM CCc1nc2ccccc2n1[C@@H](CC)C(=O)NCc1nnn[n-]1 ZINC000095383760 407211782 /nfs/dbraw/zinc/21/17/82/407211782.db2.gz GYPZHOYHBNWZGX-NSHDSACASA-N -1 0 313.365 1.379 50 0 DDAARM O=C([O-])c1ccnc(N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000095389122 407213567 /nfs/dbraw/zinc/21/35/67/407213567.db2.gz QVUOUNFKTOJXOX-UHFFFAOYSA-N -1 0 303.362 1.619 50 0 DDAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1nccnc1N)C(=O)[O-] ZINC000095463857 407214681 /nfs/dbraw/zinc/21/46/81/407214681.db2.gz YUECKEHWHMWHBR-NSHDSACASA-N -1 0 314.345 1.422 50 0 DDAARM CCc1[nH]nc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)c1C ZINC000095945500 407216139 /nfs/dbraw/zinc/21/61/39/407216139.db2.gz IXCKQNJVUCSFES-UHFFFAOYSA-N -1 0 300.322 1.108 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n1 ZINC000122976649 407315801 /nfs/dbraw/zinc/31/58/01/407315801.db2.gz WZCAWFQMQLHZPC-MWLCHTKSSA-N -1 0 321.283 1.988 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2[n-]c1=S ZINC000102177480 407320534 /nfs/dbraw/zinc/32/05/34/407320534.db2.gz NBCMFDSFQIMBBD-UHFFFAOYSA-N -1 0 303.387 1.895 50 0 DDAARM CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000067621846 407278309 /nfs/dbraw/zinc/27/83/09/407278309.db2.gz HRMGLWBWXFMXHO-UHFFFAOYSA-N -1 0 320.370 1.856 50 0 DDAARM CC(=O)[N-]S(=O)(=O)Nc1c(F)cccc1Br ZINC000097098497 407280632 /nfs/dbraw/zinc/28/06/32/407280632.db2.gz LKBHNQLMAWMBQP-UHFFFAOYSA-N -1 0 311.132 1.381 50 0 DDAARM CCCN(C/C=C/c1ccccc1)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000067894694 407289313 /nfs/dbraw/zinc/28/93/13/407289313.db2.gz PGVBOESSYNANSG-RMKNXTFCSA-N -1 0 300.362 1.593 50 0 DDAARM CSc1nn2c([n-]1)nc(CSc1ccccn1)cc2=O ZINC000100071801 407307048 /nfs/dbraw/zinc/30/70/48/407307048.db2.gz RJTCGMGNGHEHCP-UHFFFAOYSA-N -1 0 305.388 1.827 50 0 DDAARM CCOc1cc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)ccc1O ZINC000101347667 407309236 /nfs/dbraw/zinc/30/92/36/407309236.db2.gz GHJUSIXFJNHNQB-JTQLQIEISA-N -1 0 302.290 1.366 50 0 DDAARM O=C([O-])c1cccc(-c2cncc(C(=O)N3CCOCC3)n2)c1 ZINC000215182643 407481027 /nfs/dbraw/zinc/48/10/27/407481027.db2.gz CVPNJVQJJBDUIS-UHFFFAOYSA-N -1 0 313.313 1.314 50 0 DDAARM C[C@H](C(=O)[O-])N(C(=O)CN1Cc2ccccc2C1=O)C1CC1 ZINC000262657142 407892001 /nfs/dbraw/zinc/89/20/01/407892001.db2.gz STVJUHGIGAVNTK-SNVBAGLBSA-N -1 0 302.330 1.107 50 0 DDAARM O=C([O-])C1(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)CCC1 ZINC000262463402 407843134 /nfs/dbraw/zinc/84/31/34/407843134.db2.gz GBDWQZAAYDMSHC-AWEZNQCLSA-N -1 0 316.357 1.331 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000237282796 292453175 /nfs/dbraw/zinc/45/31/75/292453175.db2.gz ZOABNLAKPIZWPC-RYUDHWBXSA-N -1 0 313.300 1.628 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1cccnc1 ZINC000136021186 408069040 /nfs/dbraw/zinc/06/90/40/408069040.db2.gz NQTAHGMGDPNLMJ-VXGBXAGGSA-N -1 0 321.358 1.295 50 0 DDAARM C[C@@H]1CN(C(=O)c2cc(-c3ccccn3)no2)C[C@H]1C(=O)[O-] ZINC000263237297 408069864 /nfs/dbraw/zinc/06/98/64/408069864.db2.gz RELBBVKSIHWYJW-NXEZZACHSA-N -1 0 301.302 1.529 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Br)cs2)CCO1 ZINC000155898005 408223821 /nfs/dbraw/zinc/22/38/21/408223821.db2.gz RBSHYDIMNAMWRY-ZETCQYMHSA-N -1 0 320.164 1.436 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000269042612 408225644 /nfs/dbraw/zinc/22/56/44/408225644.db2.gz RJNSINGTDXDDQE-YNZJMPHRSA-N -1 0 305.330 1.538 50 0 DDAARM Cc1ncc(C(=O)Nc2ccn(CC(=O)[O-])n2)c(C(C)C)n1 ZINC000192879575 408663515 /nfs/dbraw/zinc/66/35/15/408663515.db2.gz FVGOKZSNURDLOM-UHFFFAOYSA-N -1 0 303.322 1.442 50 0 DDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cccc(Oc2cnccn2)c1 ZINC000263194622 163928435 /nfs/dbraw/zinc/92/84/35/163928435.db2.gz IZVIOAMLZCNATE-TXEJJXNPSA-N -1 0 313.313 1.862 50 0 DDAARM CCCC[C@H](c1cccnc1)N(C)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426711279 419535958 /nfs/dbraw/zinc/53/59/58/419535958.db2.gz JOFFOXMUGXBYGG-GFCCVEGCSA-N -1 0 303.366 1.838 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(c3cccnc3)CC2)C1 ZINC000426538370 419501149 /nfs/dbraw/zinc/50/11/49/419501149.db2.gz KQCUAZWHDBUOLZ-QWHCGFSZSA-N -1 0 303.362 1.231 50 0 DDAARM Cc1n[nH]c(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c1C ZINC000426596657 419513475 /nfs/dbraw/zinc/51/34/75/419513475.db2.gz UYFSNWAIUJWVQU-OAHLLOKOSA-N -1 0 317.345 1.607 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000299745866 229385921 /nfs/dbraw/zinc/38/59/21/229385921.db2.gz SZJNCWXLQXOPHN-ZDUSSCGKSA-N -1 0 303.293 1.701 50 0 DDAARM Cc1ccccc1OCCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299745244 229387779 /nfs/dbraw/zinc/38/77/79/229387779.db2.gz XBROFOJKBFHXIA-AWEZNQCLSA-N -1 0 307.346 1.466 50 0 DDAARM Cn1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1-c1ccccc1 ZINC000299748810 229390596 /nfs/dbraw/zinc/39/05/96/229390596.db2.gz IHAFGBNMHRCJRC-OAHLLOKOSA-N -1 0 314.341 1.618 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)C1=Cc2cccc(OC)c2OC1 ZINC000299753171 229397268 /nfs/dbraw/zinc/39/72/68/229397268.db2.gz XDTXGSBEONGNAC-UHFFFAOYSA-N -1 0 321.329 1.031 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(F)c(C)cc1F ZINC000643851307 423379861 /nfs/dbraw/zinc/37/98/61/423379861.db2.gz HWOXUCNGQMBRSA-OAHLLOKOSA-N -1 0 313.300 1.979 50 0 DDAARM CC(Nc1cccc(C(=O)[O-])c1)=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000016955725 280824404 /nfs/dbraw/zinc/82/44/04/280824404.db2.gz MKAYHNHQJYISHU-UHFFFAOYSA-N -1 0 317.301 1.121 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC ZINC000492119091 295056138 /nfs/dbraw/zinc/05/61/38/295056138.db2.gz OGVTTZIGNWIHPO-TXNVCOODSA-N -1 0 321.329 1.029 50 0 DDAARM Cc1cc2nc(C(=O)[O-])cn2cc1I ZINC000095642788 301461482 /nfs/dbraw/zinc/46/14/82/301461482.db2.gz URORBEKDDKFEHM-UHFFFAOYSA-N -1 0 302.071 1.946 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2)CCO1 ZINC000532001989 303269174 /nfs/dbraw/zinc/26/91/74/303269174.db2.gz JNFYDTIJQYPTRK-ZDUSSCGKSA-N -1 0 313.313 1.069 50 0 DDAARM O=S(=O)(NCc1nc(C2CC2)no1)N1CCCCCC1 ZINC000048672823 334296875 /nfs/dbraw/zinc/29/68/75/334296875.db2.gz XLNHQVMMKARFAS-UHFFFAOYSA-N -1 0 300.384 1.157 50 0 DDAARM O=C([O-])CC1(NC(=O)c2ncnc3ccsc32)CCOCC1 ZINC000659127001 484642496 /nfs/dbraw/zinc/64/24/96/484642496.db2.gz IXRZYMZWRFSAGL-UHFFFAOYSA-N -1 0 321.358 1.445 50 0 DDAARM O=C(CCOC1CCOCC1)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000331338624 534433646 /nfs/dbraw/zinc/43/36/46/534433646.db2.gz WDCLALJDWBBHDJ-UHFFFAOYSA-N -1 0 307.272 1.375 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-n2cccc2)c1 ZINC000299743035 534525933 /nfs/dbraw/zinc/52/59/33/534525933.db2.gz LQZZBNKFJNXBHZ-AWEZNQCLSA-N -1 0 300.314 1.403 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2ccc3c(c2)OCCO3)n1 ZINC000299741619 534551616 /nfs/dbraw/zinc/55/16/16/534551616.db2.gz GYGWWGDDLSAWOU-UHFFFAOYSA-N -1 0 320.326 1.543 50 0 DDAARM CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000299748074 527152771 /nfs/dbraw/zinc/15/27/71/527152771.db2.gz FXMPQNJETYRISH-MNOVXSKESA-N -1 0 305.330 1.530 50 0 DDAARM CC(C)C[C@@H](C)OCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299752383 528275077 /nfs/dbraw/zinc/27/50/77/528275077.db2.gz TYTZCDRYOMJEQG-OLZOCXBDSA-N -1 0 301.383 1.530 50 0 DDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)N1CCC(n2cnnc2)CC1 ZINC000426422782 528765988 /nfs/dbraw/zinc/76/59/88/528765988.db2.gz FSWXMOJPIKCWRL-LBPRGKRZSA-N -1 0 323.397 1.658 50 0 DDAARM Cc1nn(-c2ccc(-c3nn[nH]n3)cc2)c(C)c1CCC(=O)[O-] ZINC000067642199 696362581 /nfs/dbraw/zinc/36/25/81/696362581.db2.gz SQDKRBQJESCUMV-UHFFFAOYSA-N -1 0 312.333 1.686 50 0 DDAARM COCc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)[O-] ZINC000169752335 697344201 /nfs/dbraw/zinc/34/42/01/697344201.db2.gz PXSOCGMGCCFISF-UHFFFAOYSA-N -1 0 317.301 1.662 50 0 DDAARM C[C@](O)(CNC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000261595698 698428349 /nfs/dbraw/zinc/42/83/49/698428349.db2.gz YGYMRRIOYBWZOZ-VIFPVBQESA-N -1 0 308.153 1.076 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1F ZINC000321410451 698727307 /nfs/dbraw/zinc/72/73/07/698727307.db2.gz MMUNBQMTMACKSY-KTLBGCOUSA-N -1 0 323.320 1.550 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C=N[C@H]3C=CC=C[C@@H]32)cc1 ZINC000951726572 721155625 /nfs/dbraw/zinc/15/56/25/721155625.db2.gz CJQGZOFCJDPNBS-KBPBESRZSA-N -1 0 317.370 1.600 50 0 DDAARM CO[C@](C)(CS(=O)(=O)[N-]N=c1nccc[nH]1)c1ccccc1 ZINC000585119149 771951901 /nfs/dbraw/zinc/95/19/01/771951901.db2.gz TZAODTJVVNINSR-CQSZACIVSA-N -1 0 322.390 1.285 50 0 DDAARM CCC[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000162134979 197547296 /nfs/dbraw/zinc/54/72/96/197547296.db2.gz HXCCOKRNBQNBAU-OLZOCXBDSA-N -1 0 301.350 1.471 50 0 DDAARM Cc1cc(OCC(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1Cl ZINC000088374276 185247618 /nfs/dbraw/zinc/24/76/18/185247618.db2.gz PDUYCJFBZVOVSJ-GFCCVEGCSA-N -1 0 313.737 1.339 50 0 DDAARM CC[C@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000299276387 529568586 /nfs/dbraw/zinc/56/85/86/529568586.db2.gz RDIGDAQGCBIYLK-KBPBESRZSA-N -1 0 307.346 1.837 50 0 DDAARM C[S@](=O)Cc1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000262188168 539275505 /nfs/dbraw/zinc/27/55/05/539275505.db2.gz PNNRUDKHIXLVFF-BTYIYWSLSA-N -1 0 309.387 1.502 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccnc3ccccc23)CCO1 ZINC000255776373 282279361 /nfs/dbraw/zinc/27/93/61/282279361.db2.gz TXFLBZSZLHRUJK-IYKSTZQJSA-N -1 0 312.325 1.560 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)cn1 ZINC000095455485 185369700 /nfs/dbraw/zinc/36/97/00/185369700.db2.gz YCUVTIQSVJEBQS-UHFFFAOYSA-N -1 0 311.294 1.203 50 0 DDAARM O=C([O-])C[C@H](NC(=O)COCC(F)(F)F)c1ccccc1 ZINC000072281685 191103165 /nfs/dbraw/zinc/10/31/65/191103165.db2.gz LNRUXGKGTHXWGW-JTQLQIEISA-N -1 0 305.252 1.898 50 0 DDAARM O=C([N-]S(=O)(=O)c1cnccn1)C1(c2ccccc2)CCC1 ZINC000152499036 186079782 /nfs/dbraw/zinc/07/97/82/186079782.db2.gz LOEPGAFLZSRUSY-UHFFFAOYSA-N -1 0 317.370 1.403 50 0 DDAARM Cn1nccc1CCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000253350463 186300102 /nfs/dbraw/zinc/30/01/02/186300102.db2.gz JHCPGYPFWXWOSX-YUTCNCBUSA-N -1 0 305.378 1.597 50 0 DDAARM COCCOCC(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072409901 191153464 /nfs/dbraw/zinc/15/34/64/191153464.db2.gz PMYMUNRYGKZEGC-CQSZACIVSA-N -1 0 321.373 1.439 50 0 DDAARM COc1ccc2cc(C(=O)NCC(=O)[O-])sc(=O)c2c1OC ZINC000000079370 180686097 /nfs/dbraw/zinc/68/60/97/180686097.db2.gz RHPVPBNKURDNMV-UHFFFAOYSA-N -1 0 323.326 1.093 50 0 DDAARM Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)N(C)C)CC2)c1 ZINC000072478264 191179557 /nfs/dbraw/zinc/17/95/57/191179557.db2.gz VBHHGAHQFISFMT-UHFFFAOYSA-N -1 0 306.362 1.975 50 0 DDAARM O=C([O-])C1(C(=O)N2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000154995924 304027650 /nfs/dbraw/zinc/02/76/50/304027650.db2.gz BUCOSXQBDRYNHY-QGZVFWFLSA-N -1 0 301.342 1.552 50 0 DDAARM COc1ccc(-c2cc(=O)n([C@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000049551820 352555551 /nfs/dbraw/zinc/55/55/51/352555551.db2.gz COFMNRCERIKATE-NSHDSACASA-N -1 0 308.359 1.212 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(C=O)n(C)c2)cc1 ZINC000003218884 180992837 /nfs/dbraw/zinc/99/28/37/180992837.db2.gz NOKIGQPURSGZFL-UHFFFAOYSA-N -1 0 306.343 1.265 50 0 DDAARM COc1ccc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc2c1C ZINC000004064269 181068517 /nfs/dbraw/zinc/06/85/17/181068517.db2.gz ZFQDXWCJWKOMDR-UHFFFAOYSA-N -1 0 319.313 1.162 50 0 biogenic DDAARM Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)[O-] ZINC000004488094 181114196 /nfs/dbraw/zinc/11/41/96/181114196.db2.gz HAVTUTMMHIANFQ-UHFFFAOYSA-N -1 0 313.375 1.633 50 0 DDAARM COc1ccc(CCNC(=O)C[C@@H](C)CC(=O)[O-])cc1OC ZINC000004784818 181151996 /nfs/dbraw/zinc/15/19/96/181151996.db2.gz MGJDABHOPKBQLG-LLVKDONJSA-N -1 0 309.362 1.863 50 0 DDAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(C2CCCC2)C1=O ZINC000005016037 181190778 /nfs/dbraw/zinc/19/07/78/181190778.db2.gz PZQOOZXMLINVDP-NSHDSACASA-N -1 0 320.370 1.942 50 0 DDAARM CCCOc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)nc1 ZINC000005345252 181232117 /nfs/dbraw/zinc/23/21/17/181232117.db2.gz FLCSLQXKPBDHCK-UHFFFAOYSA-N -1 0 308.363 1.648 50 0 DDAARM CCn1cc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000236944658 202085298 /nfs/dbraw/zinc/08/52/98/202085298.db2.gz YMJWZISZSDMQEX-OAHLLOKOSA-N -1 0 316.357 1.516 50 0 DDAARM CCc1noc(CC)c1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237073343 202142492 /nfs/dbraw/zinc/14/24/92/202142492.db2.gz FHWRDKNPIGTERU-SNVBAGLBSA-N -1 0 310.350 1.044 50 0 DDAARM C[C@@H](CNC(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000237537760 202274787 /nfs/dbraw/zinc/27/47/87/202274787.db2.gz HMRPWTIAFDFXGN-NSHDSACASA-N -1 0 304.346 1.193 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c(Cl)cc1F ZINC000237701300 202332628 /nfs/dbraw/zinc/33/26/28/202332628.db2.gz CSMKPBJIUGFKOO-NSHDSACASA-N -1 0 301.701 1.713 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2OCCc3ccccc32)o1 ZINC000238117756 202443937 /nfs/dbraw/zinc/44/39/37/202443937.db2.gz WXAWRSSWHVWPOP-CQSZACIVSA-N -1 0 301.298 1.908 50 0 DDAARM O=C(c1ccccc1)C1=C([O-])c2ccccc2S(=O)(=O)N1 ZINC000006015751 181306358 /nfs/dbraw/zinc/30/63/58/181306358.db2.gz OYPKGKZBHGUSOM-CYBMUJFWSA-N -1 0 301.323 1.413 50 0 DDAARM Cc1ccc(O)c(CCc2ccc(O)c(S(=O)(=O)[O-])c2)n1 ZINC000006163464 181317305 /nfs/dbraw/zinc/31/73/05/181317305.db2.gz KUNGXQJOTZWDCW-UHFFFAOYSA-N -1 0 309.343 1.833 50 0 DDAARM COc1ccc(Cn2c(=O)[n-]n(-c3ccccc3)c2=O)cc1F ZINC000006508269 181347377 /nfs/dbraw/zinc/34/73/77/181347377.db2.gz GCWCNYPFSRDHKY-UHFFFAOYSA-N -1 0 315.304 1.523 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)NC[C@H]2CCCO2)cc1 ZINC000223100400 201632446 /nfs/dbraw/zinc/63/24/46/201632446.db2.gz JHOPMYVRGIGNHZ-UKRRQHHQSA-N -1 0 321.373 1.939 50 0 DDAARM Cc1nc(C(C)(C)NC(=O)c2cccc(OCC(=O)[O-])c2)no1 ZINC000262195937 203226591 /nfs/dbraw/zinc/22/65/91/203226591.db2.gz UCUFWNLSAZIMOL-UHFFFAOYSA-N -1 0 319.317 1.507 50 0 DDAARM O=C([O-])[C@H](c1cnn(Cc2ccccc2)c1)N1CCOCC1 ZINC000095374615 193437188 /nfs/dbraw/zinc/43/71/88/193437188.db2.gz DSYUVKKKFPSNFV-HNNXBMFYSA-N -1 0 301.346 1.389 50 0 DDAARM Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)[O-])cnn2C)cc1 ZINC000011851417 181711872 /nfs/dbraw/zinc/71/18/72/181711872.db2.gz DGEZSNSYOBVGED-UHFFFAOYSA-N -1 0 309.347 1.252 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000013681721 181878312 /nfs/dbraw/zinc/87/83/12/181878312.db2.gz LRTBCPFCBUZNSH-XPTSAGLGSA-N -1 0 317.345 1.081 50 0 DDAARM O=S(=O)([N-]c1cccc(CN2CCOCC2)c1)c1ccoc1 ZINC000351393651 284322973 /nfs/dbraw/zinc/32/29/73/284322973.db2.gz CXLCNEGOPBSENP-UHFFFAOYSA-N -1 0 322.386 1.913 50 0 DDAARM CCOc1ccccc1NC(=O)CSc1nc([O-])cc(=O)[nH]1 ZINC000016212367 182037558 /nfs/dbraw/zinc/03/75/58/182037558.db2.gz DCKGLXSHVOKEJD-UHFFFAOYSA-N -1 0 321.358 1.605 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000017306820 182082244 /nfs/dbraw/zinc/08/22/44/182082244.db2.gz XGQYUFDZYNBPAD-UHFFFAOYSA-N -1 0 313.310 1.526 50 0 DDAARM COc1cc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)ccc1O ZINC000019962515 182170890 /nfs/dbraw/zinc/17/08/90/182170890.db2.gz LIUGCFGVAQSTOG-SNVBAGLBSA-N -1 0 302.290 1.284 50 0 DDAARM COCCCCN1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000097619156 193740807 /nfs/dbraw/zinc/74/08/07/193740807.db2.gz PCNKASDEGBDULQ-UHFFFAOYSA-N -1 0 320.389 1.569 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(-n2cccn2)cc1 ZINC000020614982 182239723 /nfs/dbraw/zinc/23/97/23/182239723.db2.gz FMDVGTJYVFEGOW-UHFFFAOYSA-N -1 0 311.301 1.556 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020602730 182237245 /nfs/dbraw/zinc/23/72/45/182237245.db2.gz WYDNXEIJLKDQHZ-UHFFFAOYSA-N -1 0 303.274 1.142 50 0 DDAARM Cn1cc(Br)cc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000022158446 182311394 /nfs/dbraw/zinc/31/13/94/182311394.db2.gz HGGRXUQFSMXHGH-QMMMGPOBSA-N -1 0 315.167 1.724 50 0 DDAARM O=C([O-])CNC(=O)Cn1ccc2cc(Br)ccc21 ZINC000032074500 182633336 /nfs/dbraw/zinc/63/33/36/182633336.db2.gz LBOQYICFOSIWMN-UHFFFAOYSA-N -1 0 311.135 1.605 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC12CCOCC2 ZINC000238033281 304206549 /nfs/dbraw/zinc/20/65/49/304206549.db2.gz SUXUZMKOVVAOAJ-LSDHHAIUSA-N -1 0 315.369 1.841 50 0 DDAARM C[C@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000268912497 207078498 /nfs/dbraw/zinc/07/84/98/207078498.db2.gz ZPQOOZZUQRAZRY-SNVBAGLBSA-N -1 0 307.346 1.572 50 0 DDAARM COc1cccc(NC(=O)[C@H](Cc2ccncc2)c2nnn[n-]2)c1 ZINC000057523537 184040959 /nfs/dbraw/zinc/04/09/59/184040959.db2.gz VKBNYUNQICZIMI-CQSZACIVSA-N -1 0 324.344 1.568 50 0 DDAARM COc1ccc2c(CC(=O)N3CCOC[C@@H]3C(=O)[O-])coc2c1 ZINC000268970228 207133079 /nfs/dbraw/zinc/13/30/79/207133079.db2.gz GQWBFTDYMJNLHO-CYBMUJFWSA-N -1 0 319.313 1.296 50 0 DDAARM C[C@@H](CCOc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269034172 207183117 /nfs/dbraw/zinc/18/31/17/207183117.db2.gz NQUDULHFNPCAQX-ZFWWWQNUSA-N -1 0 321.373 1.794 50 0 DDAARM C[C@@H](Oc1cccc(Br)c1)C(=O)NCC(=O)[O-] ZINC000064873054 184305281 /nfs/dbraw/zinc/30/52/81/184305281.db2.gz GOTAIKBVHSYLPF-SSDOTTSWSA-N -1 0 302.124 1.417 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000269177452 207298113 /nfs/dbraw/zinc/29/81/13/207298113.db2.gz KBAFDVDQOWYLMU-VIFPVBQESA-N -1 0 306.343 1.879 50 0 DDAARM CNc1ccccc1C(=O)N1CCCn2nc(C(=O)[O-])cc2C1 ZINC000065370115 184329610 /nfs/dbraw/zinc/32/96/10/184329610.db2.gz UHOFPTWHNQZSQQ-UHFFFAOYSA-N -1 0 314.345 1.669 50 0 DDAARM C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000377144295 257234981 /nfs/dbraw/zinc/23/49/81/257234981.db2.gz ACNXEYPRHNPXDE-XEZLXBQYSA-N -1 0 302.330 1.017 50 0 DDAARM C[C@@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000124752860 195675959 /nfs/dbraw/zinc/67/59/59/195675959.db2.gz JOKYFJOUWGBEDF-FZMZJTMJSA-N -1 0 309.337 1.706 50 0 DDAARM CC1(C)[C@H](C(=O)N2CCN(c3ccccc3F)CC2)[C@@H]1C(=O)[O-] ZINC000034926326 134690765 /nfs/dbraw/zinc/69/07/65/134690765.db2.gz JNDLTSPAFDKPHR-UONOGXRCSA-N -1 0 320.364 1.831 50 0 DDAARM CCCCOC(=O)C[C@@H](C(=O)OCCCC)S(=O)(=O)[O-] ZINC000002165037 406683684 /nfs/dbraw/zinc/68/36/84/406683684.db2.gz YPDHMBTYUUZFOA-JTQLQIEISA-N -1 0 310.368 1.320 50 0 DDAARM CC(=O)O[C@@H](C(=O)[O-])[C@@H](OC(C)=O)c1nc2ccccc2s1 ZINC000002361816 406687456 /nfs/dbraw/zinc/68/74/56/406687456.db2.gz SDFBJNWQKYDBAL-VXGBXAGGSA-N -1 0 323.326 1.917 50 0 DDAARM COC(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nc1C ZINC000006921838 406745271 /nfs/dbraw/zinc/74/52/71/406745271.db2.gz IPDBDJNTIAJKRW-IUCAKERBSA-N -1 0 324.358 1.844 50 0 DDAARM O=C(COc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000069631314 406747912 /nfs/dbraw/zinc/74/79/12/406747912.db2.gz UKMKJJXERCOROY-CYBMUJFWSA-N -1 0 313.375 1.081 50 0 DDAARM Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)[n-]1 ZINC000008015757 406775356 /nfs/dbraw/zinc/77/53/56/406775356.db2.gz HLGHEYMBZPZIPP-UHFFFAOYSA-N -1 0 307.162 1.668 50 0 DDAARM CC(C)CNC(=O)CSCc1nc(=O)c2sccc2[n-]1 ZINC000009476882 406809645 /nfs/dbraw/zinc/80/96/45/406809645.db2.gz JKUSLIQPUPQRDQ-UHFFFAOYSA-N -1 0 311.432 1.990 50 0 DDAARM CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000013255250 406859092 /nfs/dbraw/zinc/85/90/92/406859092.db2.gz VNKNTAYQELMPHE-CHWSQXEVSA-N -1 0 323.370 1.696 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000013170448 406859487 /nfs/dbraw/zinc/85/94/87/406859487.db2.gz UFQZVMLULHEIOM-FUEXJSSKSA-N -1 0 303.314 1.752 50 0 DDAARM CC(=O)[C@H]1CC(C(=O)[N-]C2=NCCS2)=NN1c1ccccc1 ZINC000072067436 406873658 /nfs/dbraw/zinc/87/36/58/406873658.db2.gz QTMLRYAXZZCMDY-CYBMUJFWSA-N -1 0 316.386 1.429 50 0 DDAARM CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000027056641 406907567 /nfs/dbraw/zinc/90/75/67/406907567.db2.gz CHRGYSFUNJDKTE-OLZOCXBDSA-N -1 0 316.357 1.960 50 0 DDAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1C ZINC000028195807 406916537 /nfs/dbraw/zinc/91/65/37/406916537.db2.gz DZVLQAPFWORSGW-UHFFFAOYSA-N -1 0 307.375 1.542 50 0 DDAARM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cccnc2)cn1 ZINC000078556747 407034448 /nfs/dbraw/zinc/03/44/48/407034448.db2.gz RCMQNYBCLONLNF-UHFFFAOYSA-N -1 0 315.358 1.772 50 0 DDAARM O=c1nc(Cn2cc(Br)cn2)[n-]c2ccsc21 ZINC000038074843 406999775 /nfs/dbraw/zinc/99/97/75/406999775.db2.gz QIOXYFIXASELQA-UHFFFAOYSA-N -1 0 311.164 1.992 50 0 DDAARM C[C@H]1S[C@]2([N-]c3ncnn3C1=O)C(=O)Nc1ccccc12 ZINC000038538209 407000406 /nfs/dbraw/zinc/00/04/06/407000406.db2.gz CTXZEQMRYMJXEH-UHLUBPPHSA-N -1 0 301.331 1.271 50 0 DDAARM COc1cccc(N(Cc2n[nH]c(=O)[n-]2)C(=O)CC(C)C)c1 ZINC000079492242 407055946 /nfs/dbraw/zinc/05/59/46/407055946.db2.gz MKJJMXAEHYIVQC-UHFFFAOYSA-N -1 0 304.350 1.686 50 0 DDAARM CCC[C@@](C)(NC(=O)c1csc(-c2cnn(C)c2)n1)C(=O)[O-] ZINC000095969836 407218871 /nfs/dbraw/zinc/21/88/71/407218871.db2.gz SOLFFQOFHFYCHY-CQSZACIVSA-N -1 0 322.390 1.917 50 0 DDAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c(OC)c1OC ZINC000062715980 407231176 /nfs/dbraw/zinc/23/11/76/407231176.db2.gz NGSHHQFBVBUOOQ-JOYOIKCWSA-N -1 0 309.318 1.316 50 0 DDAARM CSCCCNC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000096140809 407240198 /nfs/dbraw/zinc/24/01/98/407240198.db2.gz FJQYSSFLXIASID-UHFFFAOYSA-N -1 0 307.375 1.226 50 0 DDAARM CC(C)Oc1c(Cl)cccc1NC(=O)NCc1nnn[n-]1 ZINC000096152000 407241702 /nfs/dbraw/zinc/24/17/02/407241702.db2.gz GMEGTNYCMWAXLM-UHFFFAOYSA-N -1 0 310.745 1.962 50 0 DDAARM Cc1cc(=O)n2[n-]cc(C(=O)NCc3cc(F)cc(F)c3)c2n1 ZINC000067225567 407269939 /nfs/dbraw/zinc/26/99/39/407269939.db2.gz SKFMSAXATRSKSD-UHFFFAOYSA-N -1 0 318.283 1.539 50 0 DDAARM COc1ccc([C@@H](C)NC(=O)Cc2cc(=O)[nH][n-]c2=O)cc1F ZINC000067460291 407274856 /nfs/dbraw/zinc/27/48/56/407274856.db2.gz YIYSWXKQBKHGEW-MRVPVSSYSA-N -1 0 321.308 1.043 50 0 DDAARM CSCCc1nc([C@@H](C)Cn2cccn2)n(CC(=O)[O-])n1 ZINC000097370500 407292246 /nfs/dbraw/zinc/29/22/46/407292246.db2.gz PFNPMKHGSJWOAG-JTQLQIEISA-N -1 0 309.395 1.268 50 0 DDAARM Cc1ccc(C[C@H](C)C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1 ZINC000124431412 407358004 /nfs/dbraw/zinc/35/80/04/407358004.db2.gz TUUDTVLGRGJYCL-STQMWFEESA-N -1 0 301.394 1.949 50 0 DDAARM C[C@@H]1c2ccccc2O[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649822 407464475 /nfs/dbraw/zinc/46/44/75/407464475.db2.gz HNIJVDFZZGYEIK-RNCFNFMXSA-N -1 0 322.342 1.185 50 0 DDAARM Cc1cc(=O)[nH]c(NN=Cc2ccccc2OCC(=O)[O-])n1 ZINC000254698608 407466099 /nfs/dbraw/zinc/46/60/99/407466099.db2.gz PYCAYBBLXJEQFR-UHFFFAOYSA-N -1 0 302.290 1.400 50 0 DDAARM Nc1n[nH]c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000217725582 407507987 /nfs/dbraw/zinc/50/79/87/407507987.db2.gz FWBJQBXIHGRHSO-QMMMGPOBSA-N -1 0 308.725 1.591 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000237962524 407858576 /nfs/dbraw/zinc/85/85/76/407858576.db2.gz XTKSMLQBJLOKSO-NSHDSACASA-N -1 0 317.263 1.560 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ncoc2-c2cccs2)CCO1 ZINC000238128310 407893354 /nfs/dbraw/zinc/89/33/54/407893354.db2.gz IZVNKAGLXPQCLW-MRVPVSSYSA-N -1 0 308.315 1.329 50 0 DDAARM CNC(=O)[C@@H]1CCCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262716233 407907577 /nfs/dbraw/zinc/90/75/77/407907577.db2.gz CRSCPKYQYLTDNE-AWEZNQCLSA-N -1 0 318.373 1.445 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000136119043 408080808 /nfs/dbraw/zinc/08/08/08/408080808.db2.gz WQGQTHIVLGBAGI-LLVKDONJSA-N -1 0 304.346 1.191 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000263563794 408176081 /nfs/dbraw/zinc/17/60/81/408176081.db2.gz ULYBOMHRGWTXKK-LDYMZIIASA-N -1 0 310.737 1.282 50 0 DDAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263571788 408179165 /nfs/dbraw/zinc/17/91/65/408179165.db2.gz JXDXOQYRCIQLID-ZNMIVQPWSA-N -1 0 305.374 1.860 50 0 DDAARM Cn1c2ccccc2c(Cl)c1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268995017 408222803 /nfs/dbraw/zinc/22/28/03/408222803.db2.gz VCXUUARMUNJJQW-LLVKDONJSA-N -1 0 322.748 1.757 50 0 DDAARM Cn1cc(-c2ncc(C(=O)N3CCC[C@H](C(=O)[O-])C3)s2)cn1 ZINC000136158133 162116219 /nfs/dbraw/zinc/11/62/19/162116219.db2.gz RPJQDZGFSVKZAA-VIFPVBQESA-N -1 0 320.374 1.480 50 0 DDAARM CNC(=O)[C@H]1CCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191596789 408451502 /nfs/dbraw/zinc/45/15/02/408451502.db2.gz SVWKOTFSGMLCGU-CQSZACIVSA-N -1 0 318.373 1.445 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000178259104 408794991 /nfs/dbraw/zinc/79/49/91/408794991.db2.gz IYDRKXPCTPGZES-LLVKDONJSA-N -1 0 317.345 1.112 50 0 DDAARM Cc1nc(-c2ccco2)ccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000178279796 408798306 /nfs/dbraw/zinc/79/83/06/408798306.db2.gz RRKZRNQNTZFDEJ-AWEZNQCLSA-N -1 0 316.313 1.576 50 0 DDAARM Cc1cccc(-n2cc(CN3CCOC[C@@H]3C(=O)[O-])cn2)c1 ZINC000252496987 408800474 /nfs/dbraw/zinc/80/04/74/408800474.db2.gz PXCJOPVXAINYNA-OAHLLOKOSA-N -1 0 301.346 1.466 50 0 DDAARM CC[C@@](CNC(=O)c1nccnc1N)(C(=O)[O-])c1ccccc1 ZINC000262875577 163887902 /nfs/dbraw/zinc/88/79/02/163887902.db2.gz AMGYUVVCOHOGPO-INIZCTEOSA-N -1 0 314.345 1.221 50 0 DDAARM COc1ccccc1N1CCC(NC(=O)[C@@H](C)C(=O)[O-])CC1 ZINC000263097666 163914837 /nfs/dbraw/zinc/91/48/37/163914837.db2.gz JNZDQKNLPAADCZ-LLVKDONJSA-N -1 0 306.362 1.501 50 0 DDAARM Cn1ccc(S(=O)(=O)[N-]c2ncn(C3CCCCC3)n2)n1 ZINC000329671407 410407050 /nfs/dbraw/zinc/40/70/50/410407050.db2.gz UDHBWLNIRFWLSC-UHFFFAOYSA-N -1 0 310.383 1.318 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000299743880 410605372 /nfs/dbraw/zinc/60/53/72/410605372.db2.gz PUCJBWNFZSFSBB-LBPRGKRZSA-N -1 0 304.346 1.070 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CSc3ccccc3O2)C1 ZINC000299744790 410605484 /nfs/dbraw/zinc/60/54/84/410605484.db2.gz PYADUHFDDOSXAZ-ABAIWWIYSA-N -1 0 307.371 1.863 50 0 DDAARM Cc1n[nH]c(C)c1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000299785758 410629013 /nfs/dbraw/zinc/62/90/13/410629013.db2.gz LNXPWPGDXWEMSU-OAHLLOKOSA-N -1 0 313.357 1.607 50 0 DDAARM CN(C)[C@H](CNC(=O)Cc1ccccc1C(=O)[O-])c1ccco1 ZINC000044980286 418436337 /nfs/dbraw/zinc/43/63/37/418436337.db2.gz IQNLEVLEPZAGSA-CQSZACIVSA-N -1 0 316.357 1.939 50 0 DDAARM CC1=C(C(=O)Nc2cccc(Cl)c2[O-])Cn2nnnc2N1C ZINC000373838489 418465180 /nfs/dbraw/zinc/46/51/80/418465180.db2.gz FFOSEFPMYXPBBX-UHFFFAOYSA-N -1 0 320.740 1.395 50 0 DDAARM Cc1nc([N-]S(=O)(=O)c2c(C)nn(C)c2C)sc1C ZINC000074752786 418491678 /nfs/dbraw/zinc/49/16/78/418491678.db2.gz XJSKPVLYZSBDQV-UHFFFAOYSA-N -1 0 300.409 1.911 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)n1 ZINC000122953426 418505847 /nfs/dbraw/zinc/50/58/47/418505847.db2.gz XRLPHCVROBYXGL-UHFFFAOYSA-N -1 0 303.105 1.855 50 0 DDAARM Cc1ccccc1OC[C@@H](O)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000216979887 418560412 /nfs/dbraw/zinc/56/04/12/418560412.db2.gz CZXULNZOAZUZEL-GFCCVEGCSA-N -1 0 319.313 1.342 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000262982470 222300556 /nfs/dbraw/zinc/30/05/56/222300556.db2.gz UMQFNWRQYYRHSG-MFKMUULPSA-N -1 0 300.314 1.924 50 0 DDAARM CSCC[C@H](NC(=O)N(C)Cc1cc(C)on1)C(=O)[O-] ZINC000426548469 419507675 /nfs/dbraw/zinc/50/76/75/419507675.db2.gz ICNKRTPXUDLWJA-JTQLQIEISA-N -1 0 301.368 1.331 50 0 DDAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1ccn(C2CCOCC2)n1 ZINC000630158606 421926570 /nfs/dbraw/zinc/92/65/70/421926570.db2.gz TYIMVJZDAPGDST-CYBMUJFWSA-N -1 0 321.377 1.704 50 0 DDAARM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])c1)n1ccc(N)n1 ZINC000585139272 422311331 /nfs/dbraw/zinc/31/13/31/422311331.db2.gz LOSWIHQBZJXWNP-UHFFFAOYSA-N -1 0 302.334 1.466 50 0 DDAARM O=C([O-])c1cnc(/C=C\c2cn(C[C@@H]3CCOC3)nn2)s1 ZINC000630952031 422440500 /nfs/dbraw/zinc/44/05/00/422440500.db2.gz UMFXPCOVIHWXTA-IYABHPQVSA-N -1 0 306.347 1.640 50 0 DDAARM CC[C@@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000606442176 422459964 /nfs/dbraw/zinc/45/99/64/422459964.db2.gz XBBWMZFOSYJVGA-DMTLFAOVSA-N -1 0 302.330 1.135 50 0 DDAARM CCOc1ccccc1/C=C\C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000316792055 271020876 /nfs/dbraw/zinc/02/08/76/271020876.db2.gz REUAQTUDOYKXEN-WSROAFLRSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc2n1 ZINC000268998689 301103023 /nfs/dbraw/zinc/10/30/23/301103023.db2.gz XKKIKMNAFXBXDE-CQSZACIVSA-N -1 0 300.314 1.469 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)NC(C)(C)C)CC2)c1 ZINC000072456682 302398947 /nfs/dbraw/zinc/39/89/47/302398947.db2.gz VSTJOCHZZRTAQA-UHFFFAOYSA-N -1 0 308.382 1.575 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)Nc3ccncc3)cc2[n-]c1=S ZINC000102374299 302897926 /nfs/dbraw/zinc/89/79/26/302897926.db2.gz WGHHGTBILPLUOB-UHFFFAOYSA-N -1 0 312.354 1.870 50 0 DDAARM Cn1nc(C(=O)[O-])c2cc(I)ccc21 ZINC000095707987 303043073 /nfs/dbraw/zinc/04/30/73/303043073.db2.gz XOECXFXLPGIMCQ-UHFFFAOYSA-N -1 0 302.071 1.876 50 0 DDAARM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@]1(C)C(=O)[O-] ZINC000530207826 303183748 /nfs/dbraw/zinc/18/37/48/303183748.db2.gz RLAAEQVGBWUVBW-SJKOYZFVSA-N -1 0 320.389 1.812 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000571526449 308197298 /nfs/dbraw/zinc/19/72/98/308197298.db2.gz UDVPMRUIWACGJL-FIXISWKDSA-N -1 0 321.373 1.866 50 0 DDAARM Cc1ccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1F ZINC000071405412 337366912 /nfs/dbraw/zinc/36/69/12/337366912.db2.gz ABVUATDZKYETDG-UHFFFAOYSA-N -1 0 310.310 1.049 50 0 DDAARM CC1=NS(=O)(=O)N(Cc2ccc(F)c(F)c2)C=C1C(=O)[O-] ZINC000169774479 490679064 /nfs/dbraw/zinc/67/90/64/490679064.db2.gz NCVXSZFYXWMQMC-UHFFFAOYSA-N -1 0 316.285 1.455 50 0 DDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000299747820 533743194 /nfs/dbraw/zinc/74/31/94/533743194.db2.gz FEAOPICPKJRQIT-SOUVJXGZSA-N -1 0 319.357 1.501 50 0 DDAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)[C@@H](C)C(=O)[O-])cc1 ZINC000299750177 533910298 /nfs/dbraw/zinc/91/02/98/533910298.db2.gz MSBNCWVQMFVHGI-JSGCOSHPSA-N -1 0 318.373 1.418 50 0 DDAARM CC(C)Oc1ccccc1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299752922 528247993 /nfs/dbraw/zinc/24/79/93/528247993.db2.gz VZVXUZBDVHMPGW-AWEZNQCLSA-N -1 0 307.346 1.328 50 0 DDAARM CCOc1ccccc1CCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299740593 528714645 /nfs/dbraw/zinc/71/46/45/528714645.db2.gz AIOOKSCNSDFILR-CQSZACIVSA-N -1 0 321.373 1.720 50 0 DDAARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(OC)c1 ZINC000048520711 696213387 /nfs/dbraw/zinc/21/33/87/696213387.db2.gz OGBAFEPEXYKLNH-GMNBZTITSA-N -1 0 316.309 1.932 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)CCCn1cncn1)c1ccccc1 ZINC000238106749 697817187 /nfs/dbraw/zinc/81/71/87/697817187.db2.gz MWQUVKRCICXOHW-CYBMUJFWSA-N -1 0 302.334 1.391 50 0 DDAARM COc1cccc(OCCN(C)C(=O)NC(C)(C)C(=O)[O-])c1 ZINC000824785248 759203838 /nfs/dbraw/zinc/20/38/38/759203838.db2.gz OMAUNXOGRSDDMK-UHFFFAOYSA-N -1 0 310.350 1.579 50 0 DDAARM O=c1nc(-c2cccc(NS(=O)(=O)N3CCCCC3)c2)[n-]o1 ZINC000584907112 771883656 /nfs/dbraw/zinc/88/36/56/771883656.db2.gz APOOUEIRKCYSQA-UHFFFAOYSA-N -1 0 324.362 1.173 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1F ZINC000584908072 771884509 /nfs/dbraw/zinc/88/45/09/771884509.db2.gz AIQBXQCXSJSAJN-JATZPVMKSA-N -1 0 307.321 1.931 50 0 DDAARM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1cncc(F)c1 ZINC000952883489 775643498 /nfs/dbraw/zinc/64/34/98/775643498.db2.gz UAAYYAYIYDJPEM-UHFFFAOYSA-N -1 0 307.247 1.294 50 0 DDAARM CCC(CC)[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1CCOCC1 ZINC000178270743 282221853 /nfs/dbraw/zinc/22/18/53/282221853.db2.gz ZHCIGYBAFRMCCU-KBPBESRZSA-N -1 0 312.410 1.057 50 0 DDAARM Cc1cccc2c(CC(=O)[N-]S(=O)(=O)N(C)C(C)C)c[nH]c21 ZINC000095401128 185354321 /nfs/dbraw/zinc/35/43/21/185354321.db2.gz KCHZNSPNKHURLA-UHFFFAOYSA-N -1 0 323.418 1.720 50 0 DDAARM Cc1cc(-n2c(C)cc(C(=O)NC[C@H](C)C(=O)[O-])c2C)no1 ZINC000097018678 185397891 /nfs/dbraw/zinc/39/78/91/185397891.db2.gz MDARKELZHUZMIY-QMMMGPOBSA-N -1 0 305.334 1.841 50 0 DDAARM CCC(=O)Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21 ZINC000017015618 190642475 /nfs/dbraw/zinc/64/24/75/190642475.db2.gz MXUZSIAMAJEWNG-UHFFFAOYSA-N -1 0 313.317 1.757 50 0 DDAARM O=C([O-])CCn1ccn(Cc2ccc(Cl)cc2)c(=O)c1=O ZINC000044845969 190674078 /nfs/dbraw/zinc/67/40/78/190674078.db2.gz PGNWQKXGUIPMNQ-UHFFFAOYSA-N -1 0 308.721 1.186 50 0 DDAARM O=C([O-])c1csc(CNC(=O)Cc2noc3ccccc32)n1 ZINC000170643358 197798755 /nfs/dbraw/zinc/79/87/55/197798755.db2.gz REKQKNSPTMQJDV-UHFFFAOYSA-N -1 0 317.326 1.841 50 0 DDAARM COc1ccc(CNC(=O)c2nccnc2C(=O)[O-])cc1OC ZINC000071280393 190952216 /nfs/dbraw/zinc/95/22/16/190952216.db2.gz YAGSQBVFBIZRFN-UHFFFAOYSA-N -1 0 317.301 1.122 50 0 DDAARM O=C(NC[C@]1(CCO)CCOC1)c1ccc2[n-]c(=S)oc2c1 ZINC000152519723 186081306 /nfs/dbraw/zinc/08/13/06/186081306.db2.gz KAYPSGMLAXHQNZ-HNNXBMFYSA-N -1 0 322.386 1.635 50 0 DDAARM COCC1(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)CCC1 ZINC000072424829 191159981 /nfs/dbraw/zinc/15/99/81/191159981.db2.gz OMCDXSUVCCIRDJ-UHFFFAOYSA-N -1 0 321.377 1.102 50 0 DDAARM COc1ccc(OC)c(NC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000072436427 191166543 /nfs/dbraw/zinc/16/65/43/191166543.db2.gz ORUTYHOZQZLXDP-LBPRGKRZSA-N -1 0 310.306 1.021 50 0 DDAARM O=C([O-])C1=NN(c2ccc(F)cc2)c2ncccc2S1(=O)=O ZINC000096511612 304036555 /nfs/dbraw/zinc/03/65/55/304036555.db2.gz YWNWZEMIIOWIQY-UHFFFAOYSA-N -1 0 321.289 1.544 50 0 DDAARM C[C@@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)c1nnn[n-]1 ZINC000097377623 353919819 /nfs/dbraw/zinc/91/98/19/353919819.db2.gz NMSJRLUFMPEDLL-QMMMGPOBSA-N -1 0 315.786 1.277 50 0 DDAARM CCCC(=O)NCCNC(=O)c1c([O-])c2ccccc2oc1=O ZINC000102947080 353927022 /nfs/dbraw/zinc/92/70/22/353927022.db2.gz LLNXSQGTTFGELM-UHFFFAOYSA-N -1 0 318.329 1.145 50 0 DDAARM CC1CCC(N2C[C@@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)CC1 ZINC000236790351 202009424 /nfs/dbraw/zinc/00/94/24/202009424.db2.gz ULZFCDMTOVNJCN-QPPOZKHWSA-N -1 0 322.405 1.347 50 0 DDAARM CC1CCC(N2C[C@@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)CC1 ZINC000236790180 202010159 /nfs/dbraw/zinc/01/01/59/202010159.db2.gz ULZFCDMTOVNJCN-DKNRTOFZSA-N -1 0 322.405 1.347 50 0 DDAARM CC(C)(CC(=O)N[C@@H]1CCN(c2ncccc2F)C1)C(=O)[O-] ZINC000236795125 202013937 /nfs/dbraw/zinc/01/39/37/202013937.db2.gz JHDYMUXRMYZBGA-SNVBAGLBSA-N -1 0 309.341 1.417 50 0 DDAARM Cc1cccc(NC(=O)C[C@H](C(=O)[O-])N2CCOCC2)c1C ZINC000004264023 181089740 /nfs/dbraw/zinc/08/97/40/181089740.db2.gz CQMXFRYXHMWIGK-CQSZACIVSA-N -1 0 306.362 1.417 50 0 DDAARM O=c1[nH]cc(S(=O)(=O)[N-]c2cccc3ccccc32)c(=O)[nH]1 ZINC000004270307 181090271 /nfs/dbraw/zinc/09/02/71/181090271.db2.gz RMRHWJLOBIBQTM-UHFFFAOYSA-N -1 0 317.326 1.430 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1scnc1C1CC1 ZINC000158019268 354228660 /nfs/dbraw/zinc/22/86/60/354228660.db2.gz MYCMGDHATNFPJI-MRVPVSSYSA-N -1 0 316.404 1.117 50 0 DDAARM NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000004802292 181153303 /nfs/dbraw/zinc/15/33/03/181153303.db2.gz JMWGIPWLUCUGRG-UHFFFAOYSA-N -1 0 320.326 1.285 50 0 DDAARM O=C(Nc1ccc(F)cn1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000585141490 354814857 /nfs/dbraw/zinc/81/48/57/354814857.db2.gz VJTKFFOJEICMFT-MRVPVSSYSA-N -1 0 306.301 1.456 50 0 DDAARM Cc1cn2c(nc3c2c([O-])nc(=O)n3C)n1CCCOC(C)C ZINC000585158441 354816900 /nfs/dbraw/zinc/81/69/00/354816900.db2.gz NZADDVULMUJESN-UHFFFAOYSA-N -1 0 319.365 1.212 50 0 DDAARM O=C([O-])C[S@@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005249082 181221258 /nfs/dbraw/zinc/22/12/58/181221258.db2.gz JRFTZOQBJKTCJV-HXUWFJFHSA-N -1 0 309.265 1.477 50 0 DDAARM CC(C)N1C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2)CC1=O ZINC000236835241 202031276 /nfs/dbraw/zinc/03/12/76/202031276.db2.gz KEYOIPPZXHVUHS-UONOGXRCSA-N -1 0 318.373 1.576 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000236940225 202082017 /nfs/dbraw/zinc/08/20/17/202082017.db2.gz RTEQCVVUISZIAD-FZMZJTMJSA-N -1 0 320.393 1.309 50 0 DDAARM CCn1cc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000236944742 202086785 /nfs/dbraw/zinc/08/67/85/202086785.db2.gz YMJWZISZSDMQEX-HNNXBMFYSA-N -1 0 316.357 1.516 50 0 DDAARM COc1cccc(-c2noc(CN3CCC[C@H]3C(=O)[O-])n2)c1 ZINC000237348145 202239374 /nfs/dbraw/zinc/23/93/74/202239374.db2.gz UWYRYUMZQHKOSB-LBPRGKRZSA-N -1 0 303.318 1.794 50 0 DDAARM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237403206 202254558 /nfs/dbraw/zinc/25/45/58/202254558.db2.gz VXLLSPGEQLXZOL-BXUZGUMPSA-N -1 0 308.353 1.894 50 0 DDAARM C[C@@H](OCC1CC1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237404403 202256584 /nfs/dbraw/zinc/25/65/84/202256584.db2.gz XVPNJHTWUFDPCA-IAQYHMDHSA-N -1 0 303.358 1.840 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCO1 ZINC000299751772 304077236 /nfs/dbraw/zinc/07/72/36/304077236.db2.gz RRBVANZKWJLELL-DOMZBBRYSA-N -1 0 321.398 1.719 50 0 DDAARM Cc1noc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000237686053 202328658 /nfs/dbraw/zinc/32/86/58/202328658.db2.gz NTNKJTCVSDFWHQ-AVGNSLFASA-N -1 0 321.377 1.945 50 0 DDAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000237845908 202368492 /nfs/dbraw/zinc/36/84/92/202368492.db2.gz AADTUAZKNASZAZ-CYBMUJFWSA-N -1 0 314.345 1.573 50 0 DDAARM NC(=O)CC1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CC1 ZINC000237866518 202373345 /nfs/dbraw/zinc/37/33/45/202373345.db2.gz XHPHAONWMHSQQV-ZZXKWVIFSA-N -1 0 316.357 1.512 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000238078532 304112606 /nfs/dbraw/zinc/11/26/06/304112606.db2.gz ZPFBCWRNPVHGJE-LBPRGKRZSA-N -1 0 304.277 1.356 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000262690122 304113178 /nfs/dbraw/zinc/11/31/78/304113178.db2.gz FTTPQLMCZBCMOS-NSHDSACASA-N -1 0 302.286 1.736 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000299742699 304114367 /nfs/dbraw/zinc/11/43/67/304114367.db2.gz INDQUXTVXGZFLO-ZJUUUORDSA-N -1 0 308.300 1.336 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC000091644897 193084116 /nfs/dbraw/zinc/08/41/16/193084116.db2.gz IJCMEHNDZFQPMX-OAHLLOKOSA-N -1 0 309.366 1.072 50 0 DDAARM CC1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)COC1 ZINC000091769445 193103574 /nfs/dbraw/zinc/10/35/74/193103574.db2.gz DBQGEZXCYFVNLO-QWHCGFSZSA-N -1 0 307.321 1.489 50 0 DDAARM CSCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091914820 193126241 /nfs/dbraw/zinc/12/62/41/193126241.db2.gz ZLFBJHCTYAKFCP-WDEREUQCSA-N -1 0 323.370 1.405 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000092064929 193150516 /nfs/dbraw/zinc/15/05/16/193150516.db2.gz CXHOCKKORTZNIE-OAHLLOKOSA-N -1 0 307.350 1.007 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1CCCO1 ZINC000261607436 203079899 /nfs/dbraw/zinc/07/98/99/203079899.db2.gz DGZIPJUZANIUFU-GJZGRUSLSA-N -1 0 303.358 1.984 50 0 DDAARM COc1cc(C)c([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000262084744 203193199 /nfs/dbraw/zinc/19/31/99/203193199.db2.gz HHINTXGABOKJEE-ZMLRMANQSA-N -1 0 307.346 1.910 50 0 DDAARM COc1cc(CCC(=O)N[C@@H](C(=O)[O-])C2CC2)cc(OC)c1 ZINC000262100381 203197908 /nfs/dbraw/zinc/19/79/08/203197908.db2.gz FHNRLHLKLIGFHG-OAHLLOKOSA-N -1 0 307.346 1.616 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000263244196 203448128 /nfs/dbraw/zinc/44/81/28/203448128.db2.gz CQUZXQHFIJZZSG-QMMMGPOBSA-N -1 0 313.737 1.585 50 0 DDAARM C[C@@H](O)C[C@@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000137174613 296192634 /nfs/dbraw/zinc/19/26/34/296192634.db2.gz VTENMINGPFOBGH-MWLCHTKSSA-N -1 0 322.386 1.728 50 0 DDAARM O=C([O-])c1ccccc1-n1ccc2c(cnc3ncnn32)c1=O ZINC000036125554 182803939 /nfs/dbraw/zinc/80/39/39/182803939.db2.gz KHWLAIRDFRMQBF-UHFFFAOYSA-N -1 0 307.269 1.127 50 0 DDAARM NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000040222523 183046839 /nfs/dbraw/zinc/04/68/39/183046839.db2.gz QUQGEVYETLETLG-UHFFFAOYSA-N -1 0 312.372 1.135 50 0 DDAARM CS(=O)(=O)c1csc(-c2n[n-]c(=O)o2)c1-n1cccc1 ZINC000040448171 183068593 /nfs/dbraw/zinc/06/85/93/183068593.db2.gz NAMYJOJAMNWMAJ-UHFFFAOYSA-N -1 0 311.344 1.286 50 0 DDAARM CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268885711 207056111 /nfs/dbraw/zinc/05/61/11/207056111.db2.gz GBTWWFDQPUKYTR-WOPDTQHZSA-N -1 0 305.330 1.746 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907329 207074620 /nfs/dbraw/zinc/07/46/20/207074620.db2.gz PGDRMERWVYBVBD-LKFCYVNXSA-N -1 0 317.297 1.823 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000268914704 207081671 /nfs/dbraw/zinc/08/16/71/207081671.db2.gz PLCRYPFKIHGHSB-KGLIPLIRSA-N -1 0 321.348 1.711 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000268926639 207092726 /nfs/dbraw/zinc/09/27/26/207092726.db2.gz WKZVHECMIZEXCY-MGPQQGTHSA-N -1 0 316.357 1.187 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)CCCOc2ccccc2)CCO1 ZINC000268933902 207098599 /nfs/dbraw/zinc/09/85/99/207098599.db2.gz BJETWPVYIZYOHL-AWEZNQCLSA-N -1 0 307.346 1.548 50 0 DDAARM COc1ccccc1C[C@H](C)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268967774 207133092 /nfs/dbraw/zinc/13/30/92/207133092.db2.gz FEOYWWFDOWRPDZ-JSGCOSHPSA-N -1 0 321.373 1.576 50 0 DDAARM COc1cccc(-c2cc(CN3C[C@H](C(=O)[O-])CC3=O)no2)c1 ZINC000065393793 184334407 /nfs/dbraw/zinc/33/44/07/184334407.db2.gz DMQQYNGMOUJFPJ-LLVKDONJSA-N -1 0 316.313 1.783 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(CCc2csc(-c3ncccn3)n2)C1 ZINC000065393917 184334694 /nfs/dbraw/zinc/33/46/94/184334694.db2.gz FTSHLXAPSXSITN-VIFPVBQESA-N -1 0 318.358 1.076 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cn(Cc3cccc(F)c3)nn2)C1 ZINC000269207080 207326472 /nfs/dbraw/zinc/32/64/72/207326472.db2.gz URDDNSXTQWCBFJ-LLVKDONJSA-N -1 0 318.308 1.012 50 0 DDAARM COCCOc1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000066152161 184393495 /nfs/dbraw/zinc/39/34/95/184393495.db2.gz SQZWPALYXNRYBE-LBPRGKRZSA-N -1 0 307.346 1.649 50 0 DDAARM O=C(N[C@H]1CN2CCC1CC2)c1c[n-]c2ccsc2c1=O ZINC000000016869 406615841 /nfs/dbraw/zinc/61/58/41/406615841.db2.gz AFUWQWYPPZFWCO-LBPRGKRZSA-N -1 0 303.387 1.414 50 0 investigational DDAARM O=C([O-])[C@H](CO)Nc1ncnc2ccc(Br)cc21 ZINC000000140156 406622572 /nfs/dbraw/zinc/62/25/72/406622572.db2.gz ZQZCQINBWBJRAE-VIFPVBQESA-N -1 0 312.123 1.250 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000000166199 406626860 /nfs/dbraw/zinc/62/68/60/406626860.db2.gz JRSXZZNEKZTTJP-CQSZACIVSA-N -1 0 323.345 1.800 50 0 DDAARM O=C(NCc1ccccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001323121 406664857 /nfs/dbraw/zinc/66/48/57/406664857.db2.gz KPQDAEJSFKANJJ-UHFFFAOYSA-N -1 0 321.336 1.588 50 0 DDAARM O=C([O-])c1cccn(Cc2ccc3c(c2)OC(F)(F)O3)c1=O ZINC000001391161 406669741 /nfs/dbraw/zinc/66/97/41/406669741.db2.gz VNSFTZCYGSMUNT-UHFFFAOYSA-N -1 0 309.224 1.916 50 0 DDAARM Cc1cc(=O)oc2cc(OCC(=O)NCCCC(=O)[O-])ccc12 ZINC000001750406 406678497 /nfs/dbraw/zinc/67/84/97/406678497.db2.gz RFRPVICVZFRKIJ-UHFFFAOYSA-N -1 0 319.313 1.461 50 0 biogenic DDAARM O=S(=O)([N-]NC(=S)NCc1ccccc1)c1ccccc1 ZINC000006885195 406740846 /nfs/dbraw/zinc/74/08/46/406740846.db2.gz SUEAHTATSALKQR-UHFFFAOYSA-N -1 0 321.427 1.544 50 0 DDAARM CC(C)CC1C(=O)N=C(SCCN2CCOCC2)N=C1[O-] ZINC000009056958 406802049 /nfs/dbraw/zinc/80/20/49/406802049.db2.gz JLRFJFORWAACBU-UHFFFAOYSA-N -1 0 313.423 1.098 50 0 DDAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000009114174 406803771 /nfs/dbraw/zinc/80/37/71/406803771.db2.gz PTLXEFQSOWFNMA-UHFFFAOYSA-N -1 0 315.376 1.675 50 0 DDAARM Cc1cc(=O)n2nc(NC(=O)[C@@H](C)Oc3ccccc3)[n-]c2n1 ZINC000009202582 406805395 /nfs/dbraw/zinc/80/53/95/406805395.db2.gz BGMQFTNBHJPZQF-SNVBAGLBSA-N -1 0 313.317 1.544 50 0 DDAARM CC(C)(C)n1ncc2c1ncn([N-]C(=O)c1ccco1)c2=O ZINC000010250955 406820610 /nfs/dbraw/zinc/82/06/10/406820610.db2.gz IELFLIYSYKNWME-UHFFFAOYSA-N -1 0 301.306 1.325 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000071285057 406835468 /nfs/dbraw/zinc/83/54/68/406835468.db2.gz UZYSTBBBALVSII-RYUDHWBXSA-N -1 0 300.318 1.563 50 0 DDAARM COc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000013171313 406859411 /nfs/dbraw/zinc/85/94/11/406859411.db2.gz WXWXKNRCNISTNH-GFCCVEGCSA-N -1 0 307.346 1.570 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nccc(-c3ccco3)n2)n1 ZINC000013644998 406864885 /nfs/dbraw/zinc/86/48/85/406864885.db2.gz OIBAVOIAZYPEIF-UHFFFAOYSA-N -1 0 313.273 1.421 50 0 DDAARM Cc1nn(C[C@H]2N[C@H](C(=O)[O-])CS2)c(C)c1Br ZINC000034926132 406965733 /nfs/dbraw/zinc/96/57/33/406965733.db2.gz ZAYBVFKJMUWNCU-YUMQZZPRSA-N -1 0 320.212 1.378 50 0 DDAARM C[C@@H](NS(=O)(=O)c1ccsc1C(=O)[O-])c1ccncc1 ZINC000035126611 406967983 /nfs/dbraw/zinc/96/79/83/406967983.db2.gz KCDSGIMKNIQTGX-MRVPVSSYSA-N -1 0 312.372 1.881 50 0 DDAARM C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000035252754 406970433 /nfs/dbraw/zinc/97/04/33/406970433.db2.gz CSQKRABQZRDKGN-SNVBAGLBSA-N -1 0 309.343 1.887 50 0 DDAARM CC1CCN(C2=CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)CC1 ZINC000032918888 406956443 /nfs/dbraw/zinc/95/64/43/406956443.db2.gz RVANJIWXFMZTJA-UHFFFAOYSA-N -1 0 314.341 1.874 50 0 DDAARM O=S(=O)(CC1CCCC1)[N-]c1ncn(Cc2cccnc2)n1 ZINC000089794043 407149728 /nfs/dbraw/zinc/14/97/28/407149728.db2.gz WNCFIEXPYVHSMB-UHFFFAOYSA-N -1 0 321.406 1.653 50 0 DDAARM C[C@@H](NC(=O)CSCc1ccccc1Cl)c1nnn[n-]1 ZINC000055576120 407205523 /nfs/dbraw/zinc/20/55/23/407205523.db2.gz DYDGNVCXZYZRPO-MRVPVSSYSA-N -1 0 311.798 1.964 50 0 DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2nccn2C)c(C)c1 ZINC000095354863 407208113 /nfs/dbraw/zinc/20/81/13/407208113.db2.gz LUKSFYSJJQHDPN-HNNXBMFYSA-N -1 0 303.362 1.995 50 0 DDAARM CC(C)c1noc(CN(C)[C@H](C(=O)[O-])c2ccc(CO)cc2)n1 ZINC000095362211 407209249 /nfs/dbraw/zinc/20/92/49/407209249.db2.gz LYKVEHACUDXESJ-AWEZNQCLSA-N -1 0 319.361 1.943 50 0 DDAARM Cc1ccccc1C[C@@H](CNC(=O)[C@]1(C)CCCO1)C(=O)[O-] ZINC000095970672 407218608 /nfs/dbraw/zinc/21/86/08/407218608.db2.gz OWOQSXSNOMZUJR-YOEHRIQHSA-N -1 0 305.374 1.924 50 0 DDAARM COc1ccccc1/C(C)=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000095970730 407218705 /nfs/dbraw/zinc/21/87/05/407218705.db2.gz SWDNJRUGYYJFMQ-CNELAYHGSA-N -1 0 319.357 1.801 50 0 DDAARM O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccc2F)cc1[O-] ZINC000104133889 407347802 /nfs/dbraw/zinc/34/78/02/407347802.db2.gz OFSQIVIYNSNTHT-JTQLQIEISA-N -1 0 305.309 1.626 50 0 DDAARM COC[C@@H]1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000170635633 407461614 /nfs/dbraw/zinc/46/16/14/407461614.db2.gz PUNDVTRFBGYFCM-SECBINFHSA-N -1 0 319.386 1.320 50 0 DDAARM CC(C)N1C[C@H](C(=O)N[C@@H](CC(=O)[O-])c2cccs2)CC1=O ZINC000236596222 407728760 /nfs/dbraw/zinc/72/87/60/407728760.db2.gz AKVLIWHYEHAHMM-MNOVXSKESA-N -1 0 324.402 1.637 50 0 DDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC000237960606 407856430 /nfs/dbraw/zinc/85/64/30/407856430.db2.gz OYHSLVZZJBPJFZ-NSHDSACASA-N -1 0 306.366 1.259 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CCO1 ZINC000238123807 407892945 /nfs/dbraw/zinc/89/29/45/407892945.db2.gz WGJSBHHFZLPGGL-CYBMUJFWSA-N -1 0 322.748 1.676 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CCO1 ZINC000238129437 407893524 /nfs/dbraw/zinc/89/35/24/407893524.db2.gz AXYCNKNAVDBBHT-GFCCVEGCSA-N -1 0 308.721 1.747 50 0 DDAARM O=C([O-])CN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000238160726 407896671 /nfs/dbraw/zinc/89/66/71/407896671.db2.gz CEKOKAPQEIZVPO-LLVKDONJSA-N -1 0 300.152 1.907 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000245245166 407951112 /nfs/dbraw/zinc/95/11/12/407951112.db2.gz BATUTGLUDJGLDN-XDTLVQLUSA-N -1 0 305.330 1.299 50 0 DDAARM COc1ccc(F)c(C(=O)N2CCC[C@H]2CC(=O)[O-])c1OC ZINC000262934685 407975696 /nfs/dbraw/zinc/97/56/96/407975696.db2.gz LNVXEZZTWWESED-VIFPVBQESA-N -1 0 311.309 1.922 50 0 DDAARM Cc1cc(=O)n2c(=O)c(/C=C/c3ccc(Cl)cc3)n[n-]c2n1 ZINC000136643348 408115637 /nfs/dbraw/zinc/11/56/37/408115637.db2.gz JBHXOXCWFNXESK-QPJJXVBHSA-N -1 0 314.732 1.910 50 0 DDAARM CN(C)c1ncnc(SC2=C([O-])OC(C)(C)OC2=O)c1N ZINC000136629691 408117307 /nfs/dbraw/zinc/11/73/07/408117307.db2.gz RMLZOXMUEHMNHN-UHFFFAOYSA-N -1 0 312.351 1.254 50 0 DDAARM Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])cn2)n1 ZINC000191568746 408447482 /nfs/dbraw/zinc/44/74/82/408447482.db2.gz XRRAKDXUVMTJPH-NEPJUHHUSA-N -1 0 300.318 1.543 50 0 DDAARM O=C([N-]S(=O)(=O)CC1CCC1)c1ccc(-c2ncon2)cc1 ZINC000164874126 408805895 /nfs/dbraw/zinc/80/58/95/408805895.db2.gz LSYCPPWZGHHEQK-UHFFFAOYSA-N -1 0 321.358 1.596 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])c1 ZINC000187573943 163022559 /nfs/dbraw/zinc/02/25/59/163022559.db2.gz NYYLVRXWCDEUKC-UHFFFAOYSA-N -1 0 323.374 1.987 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000263547701 163982948 /nfs/dbraw/zinc/98/29/48/163982948.db2.gz IHKCGBMBLJJMRX-LBPRGKRZSA-N -1 0 313.357 1.604 50 0 DDAARM NC(=O)n1cc(C(=O)c2cc(Br)ccc2[O-])cn1 ZINC000044868050 418430841 /nfs/dbraw/zinc/43/08/41/418430841.db2.gz YZNVKZZOLLDEAH-UHFFFAOYSA-N -1 0 310.107 1.509 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000262932981 222299197 /nfs/dbraw/zinc/29/91/97/222299197.db2.gz XYZNLGYXFTVEJN-CABCVRRESA-N -1 0 319.357 1.934 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000408513544 418805897 /nfs/dbraw/zinc/80/58/97/418805897.db2.gz WRVGGURQXAMGAE-LBPRGKRZSA-N -1 0 307.346 1.848 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000299744235 229385563 /nfs/dbraw/zinc/38/55/63/229385563.db2.gz OBVBKGBAFVSDNI-INIZCTEOSA-N -1 0 317.320 1.948 50 0 DDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cccc1N1CCNC1=O ZINC000299745425 229387776 /nfs/dbraw/zinc/38/77/76/229387776.db2.gz ZAMJALKBEQWLIV-LLVKDONJSA-N -1 0 317.345 1.071 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000299749439 229394687 /nfs/dbraw/zinc/39/46/87/229394687.db2.gz KIMKHCUAXXXCNH-IJLUTSLNSA-N -1 0 303.314 1.800 50 0 DDAARM CC1(C)OC[C@H]2C[C@]21NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000630239643 421983420 /nfs/dbraw/zinc/98/34/20/421983420.db2.gz YXQSABVSXDIELV-BZNIZROVSA-N -1 0 305.330 1.447 50 0 DDAARM CCn1nc(C)cc1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000648343077 423326361 /nfs/dbraw/zinc/32/63/61/423326361.db2.gz ZVSQTMCLLBMKSY-ZDUSSCGKSA-N -1 0 319.336 1.949 50 0 DDAARM C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N1CCc2ccccc2C1 ZINC000032073978 298031671 /nfs/dbraw/zinc/03/16/71/298031671.db2.gz UDIWVRHHDGOWCO-IUODEOHRSA-N -1 0 302.374 1.509 50 0 DDAARM Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000020607271 301137764 /nfs/dbraw/zinc/13/77/64/301137764.db2.gz HBCBDBLSKJQBLL-GZMMTYOYSA-N -1 0 316.361 1.228 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262475603 302738929 /nfs/dbraw/zinc/73/89/29/302738929.db2.gz JPNYQGSUQGQNCN-YUELXQCFSA-N -1 0 319.405 1.824 50 0 DDAARM Cc1nc2c3ccccc3oc2c(N[C@H](C(=O)[O-])[C@H](C)O)n1 ZINC000000540180 331463683 /nfs/dbraw/zinc/46/36/83/331463683.db2.gz JLARVDCFFCLLEY-CPCISQLKSA-N -1 0 301.302 1.930 50 0 DDAARM C[C@@](Cl)(CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000006566358 331497103 /nfs/dbraw/zinc/49/71/03/331497103.db2.gz AEJGYOQQDKQIPO-SNVBAGLBSA-N -1 0 312.174 1.700 50 0 DDAARM CC(C)[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ncnn1C ZINC000534589619 334293705 /nfs/dbraw/zinc/29/37/05/334293705.db2.gz KODLHSNTVJALMZ-LBPRGKRZSA-N -1 0 302.334 1.640 50 0 DDAARM O=S(=O)([N-]c1nnc(CC2CCCC2)s1)c1c[nH]cn1 ZINC000083956387 483986578 /nfs/dbraw/zinc/98/65/78/483986578.db2.gz XIMPGPOOJQIFTJ-UHFFFAOYSA-N -1 0 313.408 1.795 50 0 DDAARM CC(C)n1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)n1 ZINC000659203761 484685248 /nfs/dbraw/zinc/68/52/48/484685248.db2.gz IGTXYIHLXXWKRP-UHFFFAOYSA-N -1 0 305.338 1.733 50 0 DDAARM O=C(NCc1cccc(CO)c1)c1[n-]c(=O)nc2ccccc21 ZINC000670473455 484851253 /nfs/dbraw/zinc/85/12/53/484851253.db2.gz YVHOJBVXTMXRPQ-UHFFFAOYSA-N -1 0 309.325 1.758 50 0 DDAARM COc1ccccc1CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000299752616 534007948 /nfs/dbraw/zinc/00/79/48/534007948.db2.gz UTVNMTBJZXQRQU-CQSZACIVSA-N -1 0 321.373 1.720 50 0 DDAARM Cc1oc(CN(C)C(=O)COC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299749256 534545121 /nfs/dbraw/zinc/54/51/21/534545121.db2.gz JRQXWSWHUPTZQB-LLVKDONJSA-N -1 0 311.334 1.440 50 0 DDAARM Cc1ccccc1C=Cc1nc(SCc2n[nH]c(=O)[n-]2)n[nH]1 ZINC000095459941 696603179 /nfs/dbraw/zinc/60/31/79/696603179.db2.gz NJPJXVVRFKRQOW-VOTSOKGWSA-N -1 0 314.374 1.987 50 0 DDAARM COc1ccc(Br)cc1CNC(=O)[C@H](C)C(=O)[O-] ZINC000258776855 698426280 /nfs/dbraw/zinc/42/62/80/698426280.db2.gz SPKXQWCGGAOLBO-ZETCQYMHSA-N -1 0 316.151 1.795 50 0 DDAARM COC(=O)c1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])on1 ZINC000864096055 706066369 /nfs/dbraw/zinc/06/63/69/706066369.db2.gz XZVTVBYRBHRJBK-AWEZNQCLSA-N -1 0 316.313 1.645 50 0 DDAARM CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000585131300 771964148 /nfs/dbraw/zinc/96/41/48/771964148.db2.gz RARVRPFRMXAXCT-HUUCEWRRSA-N -1 0 322.361 1.014 50 0 DDAARM O=C([O-])c1ccc2[nH]c(SCC(=O)N3CCOCC3)nc2c1 ZINC000076566028 185024549 /nfs/dbraw/zinc/02/45/49/185024549.db2.gz KFWBKUSJAVCRSJ-UHFFFAOYSA-N -1 0 321.358 1.212 50 0 DDAARM CC(C)n1cc(C(=O)N(C)[C@@H](C(=O)[O-])c2cccnc2)cn1 ZINC000095517728 185376947 /nfs/dbraw/zinc/37/69/47/185376947.db2.gz PNJPOSAEZZHOQK-CYBMUJFWSA-N -1 0 302.334 1.757 50 0 DDAARM CCCc1nc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cs1 ZINC000095519867 185377131 /nfs/dbraw/zinc/37/71/31/185377131.db2.gz XUOCZMIOKVRKPJ-VIFPVBQESA-N -1 0 308.363 1.244 50 0 DDAARM CC(C)n1cc(C(=O)N(CCC(=O)[O-])Cc2cccnc2)cn1 ZINC000095520038 185377231 /nfs/dbraw/zinc/37/72/31/185377231.db2.gz IQDFRPKXVFNZEZ-UHFFFAOYSA-N -1 0 316.361 1.976 50 0 DDAARM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000096659829 185385276 /nfs/dbraw/zinc/38/52/76/185385276.db2.gz WVVPLTYSYOMSMI-UHFFFAOYSA-N -1 0 309.347 1.767 50 0 DDAARM COc1cc[nH]c(=NNC(=O)[C@@H]2Cc3ccccc3S2)n1 ZINC000073545990 539033530 /nfs/dbraw/zinc/03/35/30/539033530.db2.gz CSVSQMFLOJHCBZ-NSHDSACASA-N -1 0 302.359 1.645 50 0 DDAARM CN(Cc1ccccc1-n1cccn1)c1ncncc1CC(=O)[O-] ZINC000095391395 185351602 /nfs/dbraw/zinc/35/16/02/185351602.db2.gz LHCSVJHMCPXFNF-UHFFFAOYSA-N -1 0 323.356 1.926 50 0 DDAARM COc1cccc(COCC(=O)N(CCC(=O)[O-])CC2CC2)c1 ZINC000095424469 185361542 /nfs/dbraw/zinc/36/15/42/185361542.db2.gz AGDYUWMSVSONMM-UHFFFAOYSA-N -1 0 321.373 1.925 50 0 DDAARM O=C([O-])c1ccc(F)c(NC(=O)c2cnc3cnccn32)c1 ZINC000390822257 539511142 /nfs/dbraw/zinc/51/11/42/539511142.db2.gz KIBRVIDYSBYRIP-UHFFFAOYSA-N -1 0 300.249 1.819 50 0 DDAARM CC(C)CC1(C(=O)[N-]S(=O)(=O)c2cnccn2)CCCC1 ZINC000152421678 186071304 /nfs/dbraw/zinc/07/13/04/186071304.db2.gz KPGAYAQALNYBSS-UHFFFAOYSA-N -1 0 311.407 1.888 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237448478 186290622 /nfs/dbraw/zinc/29/06/22/186290622.db2.gz VRZFMCSMZPIEIP-QWRGUYRKSA-N -1 0 321.421 1.927 50 0 DDAARM COCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)no1 ZINC000262862706 186315213 /nfs/dbraw/zinc/31/52/13/186315213.db2.gz ZQBRXCPFBVIKLY-UHFFFAOYSA-N -1 0 308.294 1.090 50 0 DDAARM COCCOc1nccc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000005344845 352113659 /nfs/dbraw/zinc/11/36/59/352113659.db2.gz VHAHQYNIHXXGFB-UHFFFAOYSA-N -1 0 309.347 1.303 50 0 DDAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000066965607 353029306 /nfs/dbraw/zinc/02/93/06/353029306.db2.gz BOETZJOXZAWWJK-NEPJUHHUSA-N -1 0 302.330 1.699 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2COc3ccccc3C2)n1 ZINC000173655660 198237474 /nfs/dbraw/zinc/23/74/74/198237474.db2.gz WLEDPZOTPPSLFR-JTQLQIEISA-N -1 0 318.354 1.709 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccc(F)c1 ZINC000076090109 353398479 /nfs/dbraw/zinc/39/84/79/353398479.db2.gz MAOPVCYFSBOBIP-JTQLQIEISA-N -1 0 302.371 1.632 50 0 DDAARM C[C@@H]1CN(c2ccccc2NC(=O)c2n[nH]c(=O)[n-]2)C[C@H](C)O1 ZINC000080399683 353606024 /nfs/dbraw/zinc/60/60/24/353606024.db2.gz ZKUJPKADMQWWFI-AOOOYVTPSA-N -1 0 317.349 1.376 50 0 DDAARM COc1cccc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1 ZINC000004299166 181094423 /nfs/dbraw/zinc/09/44/23/181094423.db2.gz YWXAADJDDXPSLZ-NWDGAFQWSA-N -1 0 311.334 1.707 50 0 DDAARM COC(=O)[C@@H](C)SC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004329639 181098483 /nfs/dbraw/zinc/09/84/83/181098483.db2.gz HKVPVWAEEFQMSW-SSDOTTSWSA-N -1 0 300.361 1.452 50 0 DDAARM Cc1nn(C)cc1CCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000195541990 354297008 /nfs/dbraw/zinc/29/70/08/354297008.db2.gz CFXBKKGUDAPUDX-UHFFFAOYSA-N -1 0 301.346 1.676 50 0 DDAARM O=C([O-])Cn1cc(/C=C\c2ncc(Br)s2)nn1 ZINC000348798063 354586888 /nfs/dbraw/zinc/58/68/88/354586888.db2.gz GIWOGAYSJVAVQG-UPHRSURJSA-N -1 0 315.152 1.752 50 0 DDAARM CCCOc1cccc(CNC(=O)CN2CCC[C@H]2C(=O)[O-])c1 ZINC000236875360 202046130 /nfs/dbraw/zinc/04/61/30/202046130.db2.gz QZLJASPTAAQCSF-HNNXBMFYSA-N -1 0 320.389 1.641 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)n(C)n1 ZINC000236881310 202049859 /nfs/dbraw/zinc/04/98/59/202049859.db2.gz NSYZKQOOVMXMKL-LBPRGKRZSA-N -1 0 323.393 1.639 50 0 DDAARM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237252867 202207105 /nfs/dbraw/zinc/20/71/05/202207105.db2.gz YKCNDZNDOCKGCV-AAEUAGOBSA-N -1 0 306.362 1.421 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000237281909 202216088 /nfs/dbraw/zinc/21/60/88/202216088.db2.gz ZOABNLAKPIZWPC-NEPJUHHUSA-N -1 0 313.300 1.628 50 0 DDAARM Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000237647322 202317356 /nfs/dbraw/zinc/31/73/56/202317356.db2.gz VMNIRDJFMYTQGP-STQMWFEESA-N -1 0 316.357 1.281 50 0 DDAARM NC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000237720834 202338848 /nfs/dbraw/zinc/33/88/48/202338848.db2.gz VYWRSIBXASXFBO-ZDUSSCGKSA-N -1 0 304.346 1.645 50 0 DDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1-c1ccc(F)cc1 ZINC000237765650 202349571 /nfs/dbraw/zinc/34/95/71/202349571.db2.gz ROUORDCQIKEHMO-NSHDSACASA-N -1 0 317.320 1.867 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)NCCCC(=O)[O-])C2=O)cc1C ZINC000237783778 202353750 /nfs/dbraw/zinc/35/37/50/202353750.db2.gz SXQACMZFJJYHGC-AWEZNQCLSA-N -1 0 318.373 1.637 50 0 DDAARM Cn1ncc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1-n1cccc1 ZINC000237828066 202364024 /nfs/dbraw/zinc/36/40/24/202364024.db2.gz ZNVRZYQBTWYPRM-OAHLLOKOSA-N -1 0 302.334 1.148 50 0 DDAARM Cn1cc(/C=C/C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000237879947 202377708 /nfs/dbraw/zinc/37/77/08/202377708.db2.gz LJQZNFHBCGZCBI-PLAGUNMDSA-N -1 0 303.362 1.678 50 0 DDAARM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000089904680 192902506 /nfs/dbraw/zinc/90/25/06/192902506.db2.gz XMUVZEINQMUFRV-VIFPVBQESA-N -1 0 323.299 1.447 50 0 DDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2cnn(C)c2)C1 ZINC000091635691 193082237 /nfs/dbraw/zinc/08/22/37/193082237.db2.gz UAIINNMRZQUHHN-INIZCTEOSA-N -1 0 307.394 1.846 50 0 DDAARM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(C(=O)[O-])co1 ZINC000262362971 203274412 /nfs/dbraw/zinc/27/44/12/203274412.db2.gz JLORAHNRKSNCBZ-NSHDSACASA-N -1 0 317.297 1.890 50 0 DDAARM COCc1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000262367290 203275822 /nfs/dbraw/zinc/27/58/22/203275822.db2.gz DWIIJILWJYXYKZ-ZDUSSCGKSA-N -1 0 313.375 1.461 50 0 DDAARM CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000262339341 203267172 /nfs/dbraw/zinc/26/71/72/203267172.db2.gz WTNXLEMFFWOXJR-VIFPVBQESA-N -1 0 319.317 1.747 50 0 DDAARM CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000262339340 203267994 /nfs/dbraw/zinc/26/79/94/203267994.db2.gz WTNXLEMFFWOXJR-SECBINFHSA-N -1 0 319.317 1.747 50 0 DDAARM O=C([O-])CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000262657147 203369268 /nfs/dbraw/zinc/36/92/68/203369268.db2.gz SUBQBFIMDGPMCM-LLVKDONJSA-N -1 0 305.334 1.131 50 0 DDAARM C[C@]1(NC(=O)c2ccc3n[nH]nc3c2)CCCC[C@H]1C(=O)[O-] ZINC000262707371 203387911 /nfs/dbraw/zinc/38/79/11/203387911.db2.gz BULGUNHYUNELAE-BONVTDFDSA-N -1 0 302.334 1.721 50 0 DDAARM CCc1nc(S([O-])=CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)n[nH]1 ZINC000095966749 193464713 /nfs/dbraw/zinc/46/47/13/193464713.db2.gz UZYJTSSALNLXRD-WIFINTHYSA-N -1 0 312.439 1.512 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000013341444 181845147 /nfs/dbraw/zinc/84/51/47/181845147.db2.gz YYHGHQYXIHEBOT-LLVKDONJSA-N -1 0 305.302 1.593 50 0 DDAARM O=C([O-])c1ccc(OCc2n[nH]c(=O)n2-c2ccccc2)cc1 ZINC000016740059 182059366 /nfs/dbraw/zinc/05/93/66/182059366.db2.gz GLDDYFLDOOCHHG-UHFFFAOYSA-N -1 0 311.297 1.838 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000159932843 197374723 /nfs/dbraw/zinc/37/47/23/197374723.db2.gz AJIMVJASXBGUHB-GFCCVEGCSA-N -1 0 316.313 1.714 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000299743110 304186314 /nfs/dbraw/zinc/18/63/14/304186314.db2.gz JXJBGWDVYQULGE-CYBMUJFWSA-N -1 0 313.313 1.538 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)NC1(c2ccccc2)CCC1 ZINC000238091899 304187396 /nfs/dbraw/zinc/18/73/96/304187396.db2.gz KWRRPAQINRRJQD-CQSZACIVSA-N -1 0 302.374 1.731 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCCCO1 ZINC000176827000 304206333 /nfs/dbraw/zinc/20/63/33/304206333.db2.gz UEWCKXSPYNQQKE-LSDHHAIUSA-N -1 0 303.358 1.984 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000043700319 183381705 /nfs/dbraw/zinc/38/17/05/183381705.db2.gz JDSNXZIRLWJUCF-SNVBAGLBSA-N -1 0 303.236 1.631 50 0 DDAARM CCCOc1ccc([C@]2(CC)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000057842200 184056615 /nfs/dbraw/zinc/05/66/15/184056615.db2.gz OLPBKBBZDRONGK-INIZCTEOSA-N -1 0 320.345 1.717 50 0 DDAARM O=C([O-])c1cc2nc(-c3cnccn3)cc(C(F)(F)F)n2n1 ZINC000012848041 304229879 /nfs/dbraw/zinc/22/98/79/304229879.db2.gz SHFZDAVNNPNZMN-UHFFFAOYSA-N -1 0 309.207 1.903 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)c1ccc2ncsc2c1 ZINC000065383260 184332812 /nfs/dbraw/zinc/33/28/12/184332812.db2.gz DLZUWIAPLYOGJF-GXSJLCMTSA-N -1 0 306.343 1.346 50 0 DDAARM COc1ccc(F)c([C@@H](C(=O)[O-])N2CCCN(C(C)=O)CC2)c1 ZINC000095380314 257271997 /nfs/dbraw/zinc/27/19/97/257271997.db2.gz ORXCQPXZUZQUOA-HNNXBMFYSA-N -1 0 324.352 1.514 50 0 DDAARM Cc1cccc(N2C(=O)[C@@H]3C(C(=O)c4ccco4)=NOC3=C2[O-])c1 ZINC000100355181 257272788 /nfs/dbraw/zinc/27/27/88/257272788.db2.gz VCTMREXQUFBLPG-DOMZBBRYSA-N -1 0 324.292 1.715 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)C2 ZINC000299746529 533284119 /nfs/dbraw/zinc/28/41/19/533284119.db2.gz YAFUCVFBDFDPNB-PXAZEXFGSA-N -1 0 319.357 1.570 50 0 DDAARM COc1cccc(OC)c1CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000299742420 533625048 /nfs/dbraw/zinc/62/50/48/533625048.db2.gz HVZCDHKCDVNLED-UHFFFAOYSA-N -1 0 307.346 1.760 50 0 DDAARM CCOC(=O)N1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000000556153 285816466 /nfs/dbraw/zinc/81/64/66/285816466.db2.gz GQXHITYRCGIMGV-VXGBXAGGSA-N -1 0 312.366 1.178 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)NC[C@H]2CCCO2)cc1 ZINC000223100457 407565159 /nfs/dbraw/zinc/56/51/59/407565159.db2.gz JHOPMYVRGIGNHZ-DZGCQCFKSA-N -1 0 321.373 1.939 50 0 DDAARM CCOc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])CO2 ZINC000299741789 286570581 /nfs/dbraw/zinc/57/05/81/286570581.db2.gz GCFJKDALVLJVBF-TZMCWYRMSA-N -1 0 319.357 1.712 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)[O-] ZINC000000167786 406626330 /nfs/dbraw/zinc/62/63/30/406626330.db2.gz WXDBKOZZSNCQPH-UHFFFAOYSA-N -1 0 313.375 1.814 50 0 DDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000000609851 406656848 /nfs/dbraw/zinc/65/68/48/406656848.db2.gz PWVCZEXEZSYRCU-UHFFFAOYSA-N -1 0 319.342 1.666 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000002135227 406684305 /nfs/dbraw/zinc/68/43/05/406684305.db2.gz MTODZIVDZDTPKB-YGRLFVJLSA-N -1 0 317.345 1.012 50 0 biogenic DDAARM CCOc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000002619099 406692515 /nfs/dbraw/zinc/69/25/15/406692515.db2.gz QKXIQWDSURJWRJ-UHFFFAOYSA-N -1 0 313.375 1.571 50 0 DDAARM COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)c1 ZINC000000335505 406638750 /nfs/dbraw/zinc/63/87/50/406638750.db2.gz WDXKXEGGFYAZRU-LMOYCYGVSA-N -1 0 301.298 1.066 50 0 biogenic DDAARM O=C([O-])/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000313657 406638987 /nfs/dbraw/zinc/63/89/87/406638987.db2.gz IXCLSMGDZDOYEU-BQYQJAHWSA-N -1 0 324.358 1.050 50 0 DDAARM CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000007787313 406766526 /nfs/dbraw/zinc/76/65/26/406766526.db2.gz SCERGBSAVUEQFJ-UHFFFAOYSA-N -1 0 321.782 1.743 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000003150129 406713694 /nfs/dbraw/zinc/71/36/94/406713694.db2.gz XGDABHXCVGCHBB-MNOVXSKESA-N -1 0 312.366 1.462 50 0 DDAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000008610166 406790480 /nfs/dbraw/zinc/79/04/80/406790480.db2.gz SGSNLANRBPXULV-UHFFFAOYSA-N -1 0 323.374 1.706 50 0 DDAARM O=C([O-])C1(NS(=O)(=O)c2ccccc2F)CCCCC1 ZINC000013262868 406861520 /nfs/dbraw/zinc/86/15/20/406861520.db2.gz GFVJGJVRSARYKX-UHFFFAOYSA-N -1 0 301.339 1.892 50 0 DDAARM CO[N-]C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000014199308 406872872 /nfs/dbraw/zinc/87/28/72/406872872.db2.gz SUIANMMNQZHEBN-UHFFFAOYSA-N -1 0 309.325 1.736 50 0 DDAARM CCn1nc(CC(C)C)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000072407955 406881488 /nfs/dbraw/zinc/88/14/88/406881488.db2.gz ZUIWGQKKSLZNJF-ZDUSSCGKSA-N -1 0 309.366 1.027 50 0 DDAARM O=C(CCc1cc(=O)[n-]o1)N1CCCC[C@@H]1CCn1cccn1 ZINC000077379275 406988160 /nfs/dbraw/zinc/98/81/60/406988160.db2.gz XVBJHSLJTJMFIB-CYBMUJFWSA-N -1 0 318.377 1.981 50 0 DDAARM CC(C)n1cnnc1S([O-])=CC(=O)NCc1ccc(F)cc1 ZINC000086321932 407110408 /nfs/dbraw/zinc/11/04/08/407110408.db2.gz SCAXFEGAXDNBGV-QFIPXVFZSA-N -1 0 324.381 1.422 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 ZINC000089830234 407153572 /nfs/dbraw/zinc/15/35/72/407153572.db2.gz RUSPHNPNFOUCIE-AWEZNQCLSA-N -1 0 303.358 1.711 50 0 DDAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(C)C)CC1 ZINC000055311731 407200964 /nfs/dbraw/zinc/20/09/64/407200964.db2.gz VXUQMOQXGSIUHX-UHFFFAOYSA-N -1 0 316.379 1.001 50 0 DDAARM CCOCCn1c2cc(C(=O)[O-])cnc2n(CCC(C)C)c1=O ZINC000055368706 407202283 /nfs/dbraw/zinc/20/22/83/407202283.db2.gz JYIDIRNSWOJQNG-UHFFFAOYSA-N -1 0 321.377 1.979 50 0 DDAARM C[C@H](NC(=O)CSCc1ccccc1Cl)c1nnn[n-]1 ZINC000055576118 407205314 /nfs/dbraw/zinc/20/53/14/407205314.db2.gz DYDGNVCXZYZRPO-QMMMGPOBSA-N -1 0 311.798 1.964 50 0 DDAARM CCNc1ncc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)cn1 ZINC000095359505 407209193 /nfs/dbraw/zinc/20/91/93/407209193.db2.gz OCKNEKQKVOTWFD-LBPRGKRZSA-N -1 0 306.366 1.672 50 0 DDAARM C[C@@H](CNC(=O)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000096480525 407271092 /nfs/dbraw/zinc/27/10/92/407271092.db2.gz NYOVZMGHXJKRIS-ZETCQYMHSA-N -1 0 318.142 1.968 50 0 DDAARM O=C([O-])CNS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000096511643 407274402 /nfs/dbraw/zinc/27/44/02/407274402.db2.gz ORFUBKUQZWMCOA-UHFFFAOYSA-N -1 0 319.338 1.281 50 0 DDAARM O=c1[n-]c(CCCNc2nnc(-c3ccccn3)s2)n[nH]1 ZINC000097049927 407277177 /nfs/dbraw/zinc/27/71/77/407277177.db2.gz SEPNIWOHKGTNTG-UHFFFAOYSA-N -1 0 303.351 1.056 50 0 DDAARM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)ccn1 ZINC000067723390 407281415 /nfs/dbraw/zinc/28/14/15/407281415.db2.gz XHJPTOODPAVJCT-CQSZACIVSA-N -1 0 316.361 1.930 50 0 DDAARM Cc1ccc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1C ZINC000111240039 407402551 /nfs/dbraw/zinc/40/25/51/407402551.db2.gz KPCWRWRVAHUJJB-LBPRGKRZSA-N -1 0 304.268 1.813 50 0 DDAARM O=C([O-])c1ccc(-c2ncc(F)c(N3CCOCC3)n2)s1 ZINC000215416272 407483301 /nfs/dbraw/zinc/48/33/01/407483301.db2.gz PHNHQOHFOLITQQ-UHFFFAOYSA-N -1 0 309.322 1.879 50 0 DDAARM CCCS(=O)(=O)[N-]C(=O)c1ccc(-c2noc(C)n2)cc1 ZINC000170634809 407460899 /nfs/dbraw/zinc/46/08/99/407460899.db2.gz CLNSHCDEDISSHM-UHFFFAOYSA-N -1 0 309.347 1.515 50 0 DDAARM O=C([O-])CN(C(=O)c1ccn(-c2ccccc2F)n1)C1CC1 ZINC000238091311 407890663 /nfs/dbraw/zinc/89/06/63/407890663.db2.gz JMYRCENHMYOOOA-UHFFFAOYSA-N -1 0 303.293 1.701 50 0 DDAARM CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1C ZINC000262814040 407945797 /nfs/dbraw/zinc/94/57/97/407945797.db2.gz PKENMQIWLOABAY-FZMZJTMJSA-N -1 0 322.361 1.444 50 0 DDAARM C[C@@H]1C[C@H](C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)CCO1 ZINC000262941292 407977749 /nfs/dbraw/zinc/97/77/49/407977749.db2.gz GRLQUFXJBLKMPO-YVLXSGLVSA-N -1 0 319.357 1.679 50 0 DDAARM Cn1cc(CN2CC[NH+](CC(=O)[O-])CC2)c(-c2ccccc2)n1 ZINC000243956893 407923451 /nfs/dbraw/zinc/92/34/51/407923451.db2.gz CDYWXALYODRBHM-UHFFFAOYSA-N -1 0 314.389 1.289 50 0 DDAARM C[C@H]1CCCN(Cc2nc(N)c3ccccc3n2)[C@H]1C(=O)[O-] ZINC000263039484 408008200 /nfs/dbraw/zinc/00/82/00/408008200.db2.gz IODPEYDGKTYLAJ-IINYFYTJSA-N -1 0 300.362 1.897 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000136509102 408110577 /nfs/dbraw/zinc/11/05/77/408110577.db2.gz YNMPDINWVHFESK-HNNXBMFYSA-N -1 0 313.357 1.881 50 0 DDAARM Cc1cnccc1CCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263353180 408116441 /nfs/dbraw/zinc/11/64/41/408116441.db2.gz QGTGCNBVGNXIOH-RISCZKNCSA-N -1 0 305.378 1.685 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cc(C3CC3)no2)(C(=O)[O-])C1(C)C ZINC000263480877 408150933 /nfs/dbraw/zinc/15/09/33/408150933.db2.gz AOAPTGBXILQOSZ-MLGOLLRUSA-N -1 0 322.361 1.940 50 0 DDAARM COc1ccc(F)c2[nH]c(C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc21 ZINC000263550438 408170609 /nfs/dbraw/zinc/17/06/09/408170609.db2.gz WDCNTLKBVVIZMK-HNNXBMFYSA-N -1 0 324.283 1.954 50 0 DDAARM Cc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)[nH]c1C ZINC000263579543 408180946 /nfs/dbraw/zinc/18/09/46/408180946.db2.gz UVTWXQNHMVRIRC-GFCCVEGCSA-N -1 0 315.329 1.225 50 0 DDAARM C[C@@H](CNC(=O)c1ccnc(OCC(F)(F)F)c1)CC(=O)[O-] ZINC000191222268 408389642 /nfs/dbraw/zinc/38/96/42/408389642.db2.gz VZPTUILJLBCJNJ-MRVPVSSYSA-N -1 0 320.267 1.863 50 0 DDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000252587228 408805537 /nfs/dbraw/zinc/80/55/37/408805537.db2.gz WMEMABXRLRCNBR-LEWSCRJBSA-N -1 0 315.377 1.574 50 0 DDAARM Cc1cnc(NC[C@@](C)(O)C(=O)[O-])nc1-c1ccccc1F ZINC000263539843 163981037 /nfs/dbraw/zinc/98/10/37/163981037.db2.gz BWJWCJSYAREULK-OAHLLOKOSA-N -1 0 305.309 1.839 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CCN2CCCCCC2=O)o1 ZINC000299779760 410621003 /nfs/dbraw/zinc/62/10/03/410621003.db2.gz GSHUBKUCEJFABS-UHFFFAOYSA-N -1 0 308.334 1.387 50 0 DDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2C1 ZINC000299793825 410635475 /nfs/dbraw/zinc/63/54/75/410635475.db2.gz ILOVZSARJIGWRT-HNNXBMFYSA-N -1 0 302.374 1.858 50 0 DDAARM Cc1noc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000131323424 196160263 /nfs/dbraw/zinc/16/02/63/196160263.db2.gz ILBQINVHRWMMKW-UHFFFAOYSA-N -1 0 321.358 1.378 50 0 DDAARM COc1cccc([C@H](C)C(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC000647782584 423046744 /nfs/dbraw/zinc/04/67/44/423046744.db2.gz SWWQDKBAQXBXNP-VIFPVBQESA-N -1 0 304.306 1.114 50 0 DDAARM CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)NCC(=O)[O-] ZINC000426421326 419467627 /nfs/dbraw/zinc/46/76/27/419467627.db2.gz TXCWIFZWCZCQRQ-UHFFFAOYSA-N -1 0 304.350 1.530 50 0 DDAARM O=C([O-])C1(NC(=O)CCN2Cc3ccccc3C2=O)CCC1 ZINC000426433709 419468199 /nfs/dbraw/zinc/46/81/99/419468199.db2.gz WCIJXUJKTXJCAO-UHFFFAOYSA-N -1 0 302.330 1.156 50 0 DDAARM CCc1nnc(N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)s1 ZINC000426726713 419537911 /nfs/dbraw/zinc/53/79/11/419537911.db2.gz GFSZAXSUNIIWBW-SNVBAGLBSA-N -1 0 321.406 1.766 50 0 DDAARM CC(C)(C)c1ncc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000492153263 421207191 /nfs/dbraw/zinc/20/71/91/421207191.db2.gz FXTGSDGFZGLXJS-DOGVGXBMSA-N -1 0 324.402 1.766 50 0 DDAARM Cc1ccc(C)c(OCC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299751263 533691050 /nfs/dbraw/zinc/69/10/50/533691050.db2.gz QCFQXWWSNBHAJZ-UHFFFAOYSA-N -1 0 321.373 1.774 50 0 DDAARM CC(C)c1nc(C(=O)N(CC(=O)[O-])C2CCOCC2)cs1 ZINC000236819642 281875760 /nfs/dbraw/zinc/87/57/60/281875760.db2.gz RTACAOLEHWLQLS-UHFFFAOYSA-N -1 0 312.391 1.972 50 0 DDAARM COc1cc([O-])c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)CC(=O)C[C@@H]1C ZINC000100122107 295004126 /nfs/dbraw/zinc/00/41/26/295004126.db2.gz SXCNFUDOBRUGOV-XHLQUELWSA-N -1 0 324.716 1.936 50 0 DDAARM C[C@@H]1C[C@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCO1 ZINC000262751014 297335070 /nfs/dbraw/zinc/33/50/70/297335070.db2.gz ISWLRYFDQFLAIW-KYOSRNDESA-N -1 0 303.358 1.840 50 0 DDAARM Cc1c(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)cnn1C ZINC000291869587 300986612 /nfs/dbraw/zinc/98/66/12/300986612.db2.gz HGRYNZSUCPHXSK-UHFFFAOYSA-N -1 0 321.358 1.178 50 0 DDAARM Cc1ccc2[nH]c(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2c1C ZINC000262543658 301870941 /nfs/dbraw/zinc/87/09/41/301870941.db2.gz VOHWXVAHTQYFFU-AWEZNQCLSA-N -1 0 302.330 1.710 50 0 DDAARM O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000091128262 484013048 /nfs/dbraw/zinc/01/30/48/484013048.db2.gz WNNYIXRPXYUMDJ-NSHDSACASA-N -1 0 305.359 1.595 50 0 DDAARM Cc1cnn(CCC(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC000659199821 484683105 /nfs/dbraw/zinc/68/31/05/484683105.db2.gz HGXKJDUELAKZML-UHFFFAOYSA-N -1 0 305.338 1.237 50 0 DDAARM COc1ccccc1CC(C)(C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299748480 534016081 /nfs/dbraw/zinc/01/60/81/534016081.db2.gz HEFLYOSHDXCRBJ-AWEZNQCLSA-N -1 0 321.373 1.576 50 0 DDAARM C[C@@H]1Cc2cc(C(=O)NC3(C(=O)[O-])CCOCC3)ccc2O1 ZINC000426490585 534057768 /nfs/dbraw/zinc/05/77/68/534057768.db2.gz MFHNZLMLUMCVLR-SNVBAGLBSA-N -1 0 305.330 1.374 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C\c1nc2ccccc2s1 ZINC000492140707 534525663 /nfs/dbraw/zinc/52/56/63/534525663.db2.gz RGLAWLMNLBTHQQ-GZTOBOFZSA-N -1 0 318.354 1.622 50 0 DDAARM Cc1oc(CNC(=O)c2cccc3c2OCCO3)cc1C(=O)[O-] ZINC000299742837 534544911 /nfs/dbraw/zinc/54/49/11/534544911.db2.gz KUVOZKPWHPWGCB-UHFFFAOYSA-N -1 0 317.297 1.987 50 0 DDAARM O=C([O-])C1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000154895881 527552151 /nfs/dbraw/zinc/55/21/51/527552151.db2.gz GGBUMXIFLZCSMN-GFCCVEGCSA-N -1 0 302.330 1.163 50 0 DDAARM COc1ccc(NC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000169785277 697345722 /nfs/dbraw/zinc/34/57/22/697345722.db2.gz AJJFTYJVANMMIH-JTQLQIEISA-N -1 0 302.338 1.620 50 0 DDAARM Cn1nc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000263236385 698497159 /nfs/dbraw/zinc/49/71/59/698497159.db2.gz RDBJCPPNGYKTSK-LLVKDONJSA-N -1 0 301.346 1.439 50 0 DDAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc2n(n1)CCO2 ZINC000863981653 706049951 /nfs/dbraw/zinc/04/99/51/706049951.db2.gz DMIIYPXMBZMDMX-CQSZACIVSA-N -1 0 313.313 1.100 50 0 DDAARM CC[C@H](NC(=O)N1CC(Oc2c(C)cccc2C)C1)C(=O)[O-] ZINC000822564345 758221816 /nfs/dbraw/zinc/22/18/16/758221816.db2.gz GGOQMNIKZFWVBX-ZDUSSCGKSA-N -1 0 306.362 1.939 50 0 DDAARM Cc1ccccc1CC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000585088475 771938471 /nfs/dbraw/zinc/93/84/71/771938471.db2.gz CTWVNAGIFXOZFP-ZDUSSCGKSA-N -1 0 314.345 1.301 50 0 DDAARM O=C([O-])C1(NC(=O)C[C@H]2CCc3ccccc32)CCOCC1 ZINC000095520691 185377164 /nfs/dbraw/zinc/37/71/64/185377164.db2.gz YWLIWLSUBZTNNO-CYBMUJFWSA-N -1 0 303.358 1.857 50 0 DDAARM Cc1ncc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)s1 ZINC000328586291 231230719 /nfs/dbraw/zinc/23/07/19/231230719.db2.gz RMVPTPYGEYHUJE-UHFFFAOYSA-N -1 0 324.383 1.901 50 0 DDAARM CC(=O)N[C@H](CSS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000085395682 539169525 /nfs/dbraw/zinc/16/95/25/539169525.db2.gz DTYDDEBFHLIKGG-LLVKDONJSA-N -1 0 317.388 1.006 50 0 DDAARM COC(=O)c1c([O-])c2ccn(Cc3ccccc3)c2c(=O)n1C ZINC000221060730 539265008 /nfs/dbraw/zinc/26/50/08/539265008.db2.gz JNGIOHSULVHYHR-UHFFFAOYSA-N -1 0 312.325 1.881 50 0 DDAARM COc1cccc([C@H](C)C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000262095082 539275401 /nfs/dbraw/zinc/27/54/01/539275401.db2.gz MBHLHDDUTPWARB-NSHDSACASA-N -1 0 307.346 1.237 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000262439378 539275730 /nfs/dbraw/zinc/27/57/30/539275730.db2.gz UGXWPDJYDSSWOA-VIFPVBQESA-N -1 0 316.361 1.491 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000263568397 539276203 /nfs/dbraw/zinc/27/62/03/539276203.db2.gz YLJBUAYOEWDVBB-MWLCHTKSSA-N -1 0 308.309 1.158 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2nc(C)c3c(n2)CCCC3)cn1 ZINC000097114379 185412299 /nfs/dbraw/zinc/41/22/99/185412299.db2.gz FGABSJCSIMYEND-UHFFFAOYSA-N -1 0 321.406 1.681 50 0 DDAARM CCc1ncsc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000170611178 197789646 /nfs/dbraw/zinc/78/96/46/197789646.db2.gz GJZCHGIALARHOR-UHFFFAOYSA-N -1 0 322.362 1.968 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000071282944 190952362 /nfs/dbraw/zinc/95/23/62/190952362.db2.gz IIPLLTFRYQHRGG-STQMWFEESA-N -1 0 314.345 1.622 50 0 DDAARM O=C([O-])C1(NC(=O)Cn2nnc3ccccc32)CCCCC1 ZINC000072277007 191098281 /nfs/dbraw/zinc/09/82/81/191098281.db2.gz KAUCPVIPAXFIAI-UHFFFAOYSA-N -1 0 302.334 1.335 50 0 DDAARM COc1ccc(F)c(F)c1CN1CCc2nc[nH]c2[C@@H]1C(=O)[O-] ZINC000072454661 191171183 /nfs/dbraw/zinc/17/11/83/191171183.db2.gz OMMDSGXGFFFPRS-CQSZACIVSA-N -1 0 323.299 1.881 50 0 DDAARM Cc1cc(C(=O)NC[C@@H](Cc2ccccc2C)C(=O)[O-])n(C)n1 ZINC000097228535 353917958 /nfs/dbraw/zinc/91/79/58/353917958.db2.gz FTBOPZCKNPTCRY-CQSZACIVSA-N -1 0 315.373 1.710 50 0 DDAARM CCCCN1CCN([C@H](C(=O)[O-])c2ccccc2)C(=O)C1=O ZINC000114671601 353981913 /nfs/dbraw/zinc/98/19/13/353981913.db2.gz SEIQXCKNGFVQAK-ZDUSSCGKSA-N -1 0 304.346 1.283 50 0 DDAARM COc1ccc([C@H]2SC[C@@H](C(=O)[O-])N2C(C)=O)cc1OC ZINC000004421498 181109012 /nfs/dbraw/zinc/10/90/12/181109012.db2.gz JVXRTJGUSUROLQ-GXFFZTMASA-N -1 0 311.359 1.751 50 0 DDAARM COc1ccc(CN(CC(=O)[O-])CC(=O)OC(C)(C)C)cc1 ZINC000526056077 354689553 /nfs/dbraw/zinc/68/95/53/354689553.db2.gz OXAVMMRZQMPHPH-UHFFFAOYSA-N -1 0 309.362 1.924 50 0 DDAARM Cc1ccccc1CC(=O)N1CC2(COC2)[C@](F)(C(=O)[O-])C1 ZINC000585134297 354811138 /nfs/dbraw/zinc/81/11/38/354811138.db2.gz LYWRVHTZYVFYPA-MRXNPFEDSA-N -1 0 307.321 1.189 50 0 DDAARM COCCn1cc(NC(=O)Cc2cccc(C(=O)[O-])c2)cn1 ZINC000585134481 354811191 /nfs/dbraw/zinc/81/11/91/354811191.db2.gz VSTAEIAMUVMVRS-UHFFFAOYSA-N -1 0 303.318 1.409 50 0 DDAARM CC[C@@H](C)NC(=O)c1cnc(I)c([O-])c1 ZINC000585141317 354814955 /nfs/dbraw/zinc/81/49/55/354814955.db2.gz TVXCNTAXDRTURQ-ZCFIWIBFSA-N -1 0 320.130 1.920 50 0 DDAARM CN(CCC(=O)[O-])C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000237216500 202191296 /nfs/dbraw/zinc/19/12/96/202191296.db2.gz ZTWJYAZNKYXGRZ-UHFFFAOYSA-N -1 0 309.337 1.807 50 0 DDAARM Cc1cc2[nH]c(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2c(C)c1 ZINC000237621589 202307790 /nfs/dbraw/zinc/30/77/90/202307790.db2.gz PKFVPVAEBOMXMV-AWEZNQCLSA-N -1 0 302.330 1.710 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000237652877 202318591 /nfs/dbraw/zinc/31/85/91/202318591.db2.gz JVYXBZOBJIAKDN-INIZCTEOSA-N -1 0 318.304 1.604 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237681782 202326635 /nfs/dbraw/zinc/32/66/35/202326635.db2.gz NRUNQQGVDOVIHS-ZDUSSCGKSA-N -1 0 307.394 1.683 50 0 DDAARM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc(Cl)cn1 ZINC000194312298 201200049 /nfs/dbraw/zinc/20/00/49/201200049.db2.gz STLVHYWRTIIVHS-UHFFFAOYSA-N -1 0 316.708 1.256 50 0 DDAARM O=S(=O)(CCCO)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000195212512 201359210 /nfs/dbraw/zinc/35/92/10/201359210.db2.gz IKMWQYKXWDVLEO-UHFFFAOYSA-N -1 0 307.375 1.117 50 0 DDAARM O=C([N-]S(=O)(=O)Nc1ccccn1)c1c[nH]c2ccccc12 ZINC000006671847 181368752 /nfs/dbraw/zinc/36/87/52/181368752.db2.gz OAKYFGPQBQJIOK-UHFFFAOYSA-N -1 0 316.342 1.650 50 0 DDAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000006706435 181375352 /nfs/dbraw/zinc/37/53/52/181375352.db2.gz YFVYOCXRLGNOJL-UHFFFAOYSA-N -1 0 320.370 1.985 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(c2cc(COC)ncn2)C1 ZINC000091412120 193052943 /nfs/dbraw/zinc/05/29/43/193052943.db2.gz IRLPURHSODIUCQ-HNNXBMFYSA-N -1 0 309.366 1.331 50 0 DDAARM O=C([O-])c1ccc(-c2nccc(N3CCC[C@H](O)C3)n2)s1 ZINC000215720975 201468708 /nfs/dbraw/zinc/46/87/08/201468708.db2.gz AJKGFXHTRKDPOK-VIFPVBQESA-N -1 0 305.359 1.864 50 0 DDAARM CC(C)[C@H](NC(=O)c1ccc(N2CCNC2=O)cc1)C(=O)[O-] ZINC000262255366 203242857 /nfs/dbraw/zinc/24/28/57/203242857.db2.gz YEUAKLSQFVNEOM-LBPRGKRZSA-N -1 0 305.334 1.055 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000013269180 181840887 /nfs/dbraw/zinc/84/08/87/181840887.db2.gz IZLFVXDWFBXMEL-NSHDSACASA-N -1 0 305.302 1.593 50 0 DDAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000016096386 182034194 /nfs/dbraw/zinc/03/41/94/182034194.db2.gz WCLDJCBUPWCQDB-UHFFFAOYSA-N -1 0 310.331 1.879 50 0 DDAARM O=C([N-]c1nnc(-c2ccc3c(c2)OCO3)o1)c1ccno1 ZINC000017170495 182078345 /nfs/dbraw/zinc/07/83/45/182078345.db2.gz NQDRDYZWUOQXOV-UHFFFAOYSA-N -1 0 300.230 1.706 50 0 DDAARM CCn1ncc(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1C ZINC000017054974 182072981 /nfs/dbraw/zinc/07/29/81/182072981.db2.gz QYDZQURODCMETB-FWIFWCIWSA-N -1 0 319.405 1.965 50 0 DDAARM O=CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1 ZINC000020744835 182246015 /nfs/dbraw/zinc/24/60/15/182246015.db2.gz SQUGYOYYJPCYEX-CQSZACIVSA-N -1 0 321.764 1.721 50 0 DDAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccnc1Cl ZINC000037591746 182912269 /nfs/dbraw/zinc/91/22/69/182912269.db2.gz SUEJAPSGBQTIOA-MRVPVSSYSA-N -1 0 306.771 1.609 50 0 DDAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)[N-]S(C)(=O)=O ZINC000040544057 183099029 /nfs/dbraw/zinc/09/90/29/183099029.db2.gz LDPUFZHGJZWBFT-ZDUSSCGKSA-N -1 0 308.359 1.026 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@@H]2CSc3ccccc32)CCSC1 ZINC000092237633 304213879 /nfs/dbraw/zinc/21/38/79/304213879.db2.gz YJARHYAWNMTBCX-YGRLFVJLSA-N -1 0 309.412 1.952 50 0 DDAARM CS(=O)(=O)Nc1ccc(NC(=O)c2ncccc2[O-])cc1 ZINC000058244481 184093887 /nfs/dbraw/zinc/09/38/87/184093887.db2.gz YQILPESFUVYCFN-UHFFFAOYSA-N -1 0 307.331 1.411 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000269038080 207187588 /nfs/dbraw/zinc/18/75/88/207187588.db2.gz PLEYBYRFFLXDBP-SJCJKPOMSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000062119718 184206877 /nfs/dbraw/zinc/20/68/77/184206877.db2.gz LJLHDJNRXQJAPB-LURJTMIESA-N -1 0 309.265 1.199 50 0 DDAARM COC[C@@H](C)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000064484988 184298029 /nfs/dbraw/zinc/29/80/29/184298029.db2.gz QCOMEHNIZIOKEP-MRVPVSSYSA-N -1 0 320.798 1.476 50 0 DDAARM CCOC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063811458 184289243 /nfs/dbraw/zinc/28/92/43/184289243.db2.gz VMYMATMCUCNZFV-SSDOTTSWSA-N -1 0 321.358 1.679 50 0 DDAARM Cc1ccc(N2CCC(C(=O)N(C)[C@H](C)C(=O)[O-])CC2)nc1 ZINC000366323751 257234904 /nfs/dbraw/zinc/23/49/04/257234904.db2.gz AIRGVKDVDBASJK-GFCCVEGCSA-N -1 0 305.378 1.538 50 0 DDAARM Cc1cccc(N2C(=O)[C@@H]3C(C(=O)c4ccco4)=NOC3=C2[O-])c1 ZINC000100355183 257272824 /nfs/dbraw/zinc/27/28/24/257272824.db2.gz VCTMREXQUFBLPG-IUODEOHRSA-N -1 0 324.292 1.715 50 0 DDAARM Cc1ccsc1CN(C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000383576275 257241956 /nfs/dbraw/zinc/24/19/56/257241956.db2.gz HJCQKLHJRWBSHY-NSHDSACASA-N -1 0 322.390 1.617 50 0 DDAARM Cc1cccc(-n2cc([O-])c(C(=O)N(CCO)C3CC3)n2)c1C ZINC000128333930 195955955 /nfs/dbraw/zinc/95/59/55/195955955.db2.gz XSDIKUMASAQBBM-UHFFFAOYSA-N -1 0 315.373 1.792 50 0 DDAARM CC(C)C(=O)C[C@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000000354936 406642245 /nfs/dbraw/zinc/64/22/45/406642245.db2.gz UDFFIQZWYPEUFJ-LLVKDONJSA-N -1 0 302.330 1.368 50 0 DDAARM O=C([O-])C1CCC(S(=O)(=O)c2cccc3nonc32)CC1 ZINC000009303499 406805277 /nfs/dbraw/zinc/80/52/77/406805277.db2.gz RMYZIWWSSQKJGL-UHFFFAOYSA-N -1 0 310.331 1.640 50 0 DDAARM NC(=O)Cc1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000070666596 406819397 /nfs/dbraw/zinc/81/93/97/406819397.db2.gz IHOKHYQJYTUJCU-UHFFFAOYSA-N -1 0 312.325 1.594 50 0 DDAARM O=C([O-])c1ccccc1NC1=CC(=O)N(Cc2ccco2)C1=O ZINC000011613100 406828483 /nfs/dbraw/zinc/82/84/83/406828483.db2.gz SJDGRTMTYKBVPL-UHFFFAOYSA-N -1 0 312.281 1.843 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000013170340 406859180 /nfs/dbraw/zinc/85/91/80/406859180.db2.gz PZALWLKEGHIWPD-ZETCQYMHSA-N -1 0 302.124 1.979 50 0 DDAARM Cc1cc(C)n(Cc2cccc(NC(=O)c3n[nH]c(=O)[n-]3)c2)n1 ZINC000071889187 406862677 /nfs/dbraw/zinc/86/26/77/406862677.db2.gz GTVVJRNHTOOIDF-UHFFFAOYSA-N -1 0 312.333 1.624 50 0 DDAARM Cc1cnc(NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)s1 ZINC000013623878 406864507 /nfs/dbraw/zinc/86/45/07/406864507.db2.gz DPZMNJMPAAGQAH-UHFFFAOYSA-N -1 0 304.335 1.084 50 0 DDAARM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1n[nH]c(=O)[n-]1 ZINC000071903233 406865433 /nfs/dbraw/zinc/86/54/33/406865433.db2.gz NPNAAZGWZSSPCX-UHFFFAOYSA-N -1 0 306.282 1.420 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)C2=Cc3ccccc3OC=C2)CC1 ZINC000071738889 406842007 /nfs/dbraw/zinc/84/20/07/406842007.db2.gz XRGKQNWXKTXAPQ-UHFFFAOYSA-N -1 0 315.325 1.414 50 0 DDAARM COc1ccc(OC)c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000035686136 406974499 /nfs/dbraw/zinc/97/44/99/406974499.db2.gz HSUVOTGSMQPCCT-LBPRGKRZSA-N -1 0 317.363 1.091 50 0 DDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000075125349 406922881 /nfs/dbraw/zinc/92/28/81/406922881.db2.gz QDQBSVFOWJJNKP-LBPRGKRZSA-N -1 0 304.350 1.494 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C ZINC000032586042 406950506 /nfs/dbraw/zinc/95/05/06/406950506.db2.gz KLQUVAAMQAQGHB-UHFFFAOYSA-N -1 0 320.370 1.903 50 0 DDAARM O=c1c2cc(-c3ccccc3)sc2ncn1Cc1nnn[n-]1 ZINC000032587131 406950789 /nfs/dbraw/zinc/95/07/89/406950789.db2.gz PJNWCKSRWOYBGQ-UHFFFAOYSA-N -1 0 310.342 1.686 50 0 DDAARM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nncn3n2)cc1 ZINC000033277223 406960631 /nfs/dbraw/zinc/96/06/31/406960631.db2.gz JZPZXWOEYOOUEW-UHFFFAOYSA-N -1 0 317.374 1.878 50 0 DDAARM COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000033452422 406962111 /nfs/dbraw/zinc/96/21/11/406962111.db2.gz VCOWJVNPJXEXET-GFCCVEGCSA-N -1 0 307.346 1.712 50 0 DDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000036974171 406985079 /nfs/dbraw/zinc/98/50/79/406985079.db2.gz XPEQJEYAGSLTKT-GFCCVEGCSA-N -1 0 311.359 1.088 50 0 DDAARM CCC[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1nnn[n-]1 ZINC000084740421 407094380 /nfs/dbraw/zinc/09/43/80/407094380.db2.gz MQGNUAQEXFPMRV-RYUDHWBXSA-N -1 0 301.350 1.723 50 0 DDAARM Cn1cnnc1CN1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095377768 407211044 /nfs/dbraw/zinc/21/10/44/407211044.db2.gz HVSOKCCJEWJDEF-AWEZNQCLSA-N -1 0 300.362 1.893 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)CCCC1 ZINC000095948856 407216187 /nfs/dbraw/zinc/21/61/87/407216187.db2.gz MLOHTMLMBOTSDF-NSHDSACASA-N -1 0 320.320 1.765 50 0 DDAARM Cn1cc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cn1 ZINC000096009455 407223712 /nfs/dbraw/zinc/22/37/12/407223712.db2.gz CCNPQPMZJFZRLO-UHFFFAOYSA-N -1 0 317.317 1.865 50 0 DDAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1cccnc1 ZINC000096123389 407239444 /nfs/dbraw/zinc/23/94/44/407239444.db2.gz SKYAXSGEDMLSGA-UHFFFAOYSA-N -1 0 308.363 1.430 50 0 DDAARM Cc1ncsc1CCC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)[O-] ZINC000096152141 407241759 /nfs/dbraw/zinc/24/17/59/407241759.db2.gz STBZPLVXIRVIHN-ZDUSSCGKSA-N -1 0 320.374 1.318 50 0 DDAARM Cc1cc(CNC(=O)c2cc(=O)c3cccc(F)c3[n-]2)n(C)n1 ZINC000097634951 407300403 /nfs/dbraw/zinc/30/04/03/407300403.db2.gz JNMGJWBICZBLJL-UHFFFAOYSA-N -1 0 314.320 1.639 50 0 DDAARM Cc1n[nH]c(C)c1Cc1nc(C2CCCC2)nn1CC(=O)[O-] ZINC000097602413 407300722 /nfs/dbraw/zinc/30/07/22/407300722.db2.gz WZBHLEGLANLXHG-UHFFFAOYSA-N -1 0 303.366 1.951 50 0 DDAARM Cc1cc(F)cc(S(=O)(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000170598977 407448133 /nfs/dbraw/zinc/44/81/33/407448133.db2.gz MPRBVPCPCPMKRF-SECBINFHSA-N -1 0 313.358 1.071 50 0 DDAARM CC(C)Oc1ccc(CNC(=O)CSc2n[nH]c(=O)[n-]2)cc1 ZINC000170600643 407449123 /nfs/dbraw/zinc/44/91/23/407449123.db2.gz SFTXGHCAXLPIMO-UHFFFAOYSA-N -1 0 322.390 1.294 50 0 DDAARM Cc1cccc(C)c1OCCNC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237653320 407833284 /nfs/dbraw/zinc/83/32/84/407833284.db2.gz ICRIEOMXKVVPGO-AWEZNQCLSA-N -1 0 320.389 1.347 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000262438181 407834052 /nfs/dbraw/zinc/83/40/52/407834052.db2.gz UCZAUFOEGFPRMM-DMDPSCGWSA-N -1 0 309.749 1.961 50 0 DDAARM O=C([O-])CN(C(=O)Cn1ccc(=O)c2ccccc21)C1CC1 ZINC000238076934 407883614 /nfs/dbraw/zinc/88/36/14/407883614.db2.gz WKSBBIHVNBQVRG-UHFFFAOYSA-N -1 0 300.314 1.077 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)C1CC1 ZINC000238087148 407886653 /nfs/dbraw/zinc/88/66/53/407886653.db2.gz VGRSULYJOJNOMU-UHFFFAOYSA-N -1 0 312.325 1.935 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc(CN2CCCC2=O)c1)C1CC1 ZINC000238089726 407889354 /nfs/dbraw/zinc/88/93/54/407889354.db2.gz OZAWSPUFZSANMM-UHFFFAOYSA-N -1 0 316.357 1.498 50 0 DDAARM O=C([O-])CN(C(=O)c1cn(-c2ccccc2Cl)nn1)C1CC1 ZINC000238091666 407890971 /nfs/dbraw/zinc/89/09/71/407890971.db2.gz GHANHPUSSIVKSC-UHFFFAOYSA-N -1 0 320.736 1.610 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCCOc2ccccc2F)CCO1 ZINC000262910040 407965382 /nfs/dbraw/zinc/96/53/82/407965382.db2.gz CMPUQPJQQKTOSR-ZDUSSCGKSA-N -1 0 311.309 1.297 50 0 DDAARM CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000262747858 407914963 /nfs/dbraw/zinc/91/49/63/407914963.db2.gz JZNPAYSPEWJNLC-XHDPSFHLSA-N -1 0 314.357 1.050 50 0 DDAARM COc1c(C)cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1C ZINC000263294396 408092605 /nfs/dbraw/zinc/09/26/05/408092605.db2.gz SBAOZPMPVMVMTO-ZDUSSCGKSA-N -1 0 307.346 1.628 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(-n2cncn2)c1 ZINC000136468463 408106663 /nfs/dbraw/zinc/10/66/63/408106663.db2.gz PAOXQGSWUOTHRC-ZDUSSCGKSA-N -1 0 300.318 1.347 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cccn2Cc2cccs2)CCO1 ZINC000178232555 408790912 /nfs/dbraw/zinc/79/09/12/408790912.db2.gz GREMABQMWLPCSH-CYBMUJFWSA-N -1 0 320.370 1.524 50 0 DDAARM Cc1nc(-c2ccccc2)oc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000178280105 408798804 /nfs/dbraw/zinc/79/88/04/408798804.db2.gz MIQYZCICBRPYOB-GFCCVEGCSA-N -1 0 316.313 1.576 50 0 DDAARM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000252494067 408799206 /nfs/dbraw/zinc/79/92/06/408799206.db2.gz NKDAQBCGVDPDTJ-QMMMGPOBSA-N -1 0 321.782 1.903 50 0 DDAARM O=C([N-]S(=O)(=O)[C@@H]1CCCOC1)c1coc2ccccc12 ZINC000408397616 164318851 /nfs/dbraw/zinc/31/88/51/164318851.db2.gz YXAXLDWPKPURFU-SNVBAGLBSA-N -1 0 309.343 1.671 50 0 DDAARM Cn1cc([C@]2(C)CN(C(=O)c3c([O-])cccc3F)CCO2)cn1 ZINC000129747384 196072746 /nfs/dbraw/zinc/07/27/46/196072746.db2.gz MEEYPKVHFUOWLC-INIZCTEOSA-N -1 0 319.336 1.653 50 0 DDAARM C[C@@H]1CC[C@H](CCC(=O)N(CCC(=O)[O-])C2CCOCC2)O1 ZINC000408513280 418806090 /nfs/dbraw/zinc/80/60/90/418806090.db2.gz KRGJNHUAAIHFMO-TZMCWYRMSA-N -1 0 313.394 1.816 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCn1cncn1 ZINC000299747320 229389402 /nfs/dbraw/zinc/38/94/02/229389402.db2.gz CPKCOJPVEIBUHQ-AGIUHOORSA-N -1 0 306.366 1.303 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)C[C@H]1CCOc2ccccc21 ZINC000299749370 229394034 /nfs/dbraw/zinc/39/40/34/229394034.db2.gz KCENIIIYMPWDDJ-GFCCVEGCSA-N -1 0 307.346 1.502 50 0 DDAARM Cc1cccc(O[C@@H](C)C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299752950 229396259 /nfs/dbraw/zinc/39/62/59/229396259.db2.gz WCTCETMLLDEROT-ZDUSSCGKSA-N -1 0 321.373 1.855 50 0 DDAARM CCc1cccc(S(=O)(=O)[N-]c2n[nH]cc2C(=O)N(C)C)c1 ZINC000585118901 422307789 /nfs/dbraw/zinc/30/77/89/422307789.db2.gz HLBGYPKCDXOYMH-UHFFFAOYSA-N -1 0 322.390 1.475 50 0 DDAARM NC(=O)[C@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000606441744 422459478 /nfs/dbraw/zinc/45/94/78/422459478.db2.gz FABIEEJNOSXCNV-UJZCVKTISA-N -1 0 302.330 1.122 50 0 DDAARM COc1cccc([C@H]2C[C@H](O)CN2c2cnc(C(=O)[O-])cn2)c1 ZINC000263375084 295329029 /nfs/dbraw/zinc/32/90/29/295329029.db2.gz BFDQTVWVLNTYIC-SMDDNHRTSA-N -1 0 315.329 1.496 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000237565985 301629260 /nfs/dbraw/zinc/62/92/60/301629260.db2.gz QTECFUJPBCZTHM-TZMCWYRMSA-N -1 0 318.373 1.527 50 0 DDAARM Cc1ccc([C@@H](C(=O)NC2(C(=O)[O-])CCOCC2)N(C)C)cc1 ZINC000095498797 301704937 /nfs/dbraw/zinc/70/49/37/301704937.db2.gz VWDZXYUJYXFPJE-AWEZNQCLSA-N -1 0 320.389 1.348 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cn1 ZINC000085321195 484003722 /nfs/dbraw/zinc/00/37/22/484003722.db2.gz IZMWUPTZIGFULR-RKDXNWHRSA-N -1 0 313.151 1.827 50 0 DDAARM Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCC[C@@]1(C)C(=O)[O-] ZINC000217168820 484143661 /nfs/dbraw/zinc/14/36/61/484143661.db2.gz ZBRHVPZPXMZWMO-INIZCTEOSA-N -1 0 321.377 1.587 50 0 DDAARM COc1ccccc1CCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000299749664 534022259 /nfs/dbraw/zinc/02/22/59/534022259.db2.gz LFUOGXCZTYYHLZ-UHFFFAOYSA-N -1 0 321.373 1.720 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCOC[C@H]3C(=O)[O-])c[nH]c2c1 ZINC000299746883 534377693 /nfs/dbraw/zinc/37/76/93/534377693.db2.gz BNRACDOVNSGCQR-AWEZNQCLSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1cc2ncc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)c(C)n2n1 ZINC000263524743 698511530 /nfs/dbraw/zinc/51/15/30/698511530.db2.gz STIVYCUTALTZLH-CMPLNLGQSA-N -1 0 316.361 1.671 50 0 DDAARM O=C([O-])CCc1nc(CSc2nc3cnccc3o2)no1 ZINC000675031747 737526959 /nfs/dbraw/zinc/52/69/59/737526959.db2.gz ZKUYEZBUXJMLSS-UHFFFAOYSA-N -1 0 306.303 1.915 50 0 DDAARM O=C([O-])CCNC(=O)NCc1cccnc1OCC(F)(F)F ZINC000263059339 539275979 /nfs/dbraw/zinc/27/59/79/539275979.db2.gz RWXSEHGZJHMIHK-UHFFFAOYSA-N -1 0 321.255 1.297 50 0 DDAARM O=S(=O)([N-]c1nc2ccccn2n1)c1c(F)cccc1F ZINC000097098490 185409369 /nfs/dbraw/zinc/40/93/69/185409369.db2.gz VIMXFNNTTYERNZ-UHFFFAOYSA-N -1 0 310.285 1.808 50 0 DDAARM CNC(=O)c1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)ccc1Cl ZINC000071288296 190953769 /nfs/dbraw/zinc/95/37/69/190953769.db2.gz DWJOPUYCVKDLCS-WDEREUQCSA-N -1 0 324.764 1.995 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccnc1-n1cccn1 ZINC000084026682 192396978 /nfs/dbraw/zinc/39/69/78/192396978.db2.gz HUSSEDPSDBFURM-UHFFFAOYSA-N -1 0 319.346 1.673 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000262907491 186323370 /nfs/dbraw/zinc/32/33/70/186323370.db2.gz ILVBEAQPHAYOOC-KEYYUXOJSA-N -1 0 315.369 1.876 50 0 DDAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)c(C)o1 ZINC000072473322 191175079 /nfs/dbraw/zinc/17/50/79/191175079.db2.gz YJWOXVHARSTNNZ-UHFFFAOYSA-N -1 0 317.345 1.809 50 0 DDAARM C[C@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1n[nH]c(=O)[n-]1 ZINC000072478133 191179541 /nfs/dbraw/zinc/17/95/41/191179541.db2.gz YZZGBHNHBKVCMU-JTQLQIEISA-N -1 0 318.377 1.293 50 0 DDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1 ZINC000001926472 180901944 /nfs/dbraw/zinc/90/19/44/180901944.db2.gz YMTPGRMYKKKBTG-LLVKDONJSA-N -1 0 316.279 1.481 50 0 DDAARM CCn1[n-]c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc1=O ZINC000076017701 353390627 /nfs/dbraw/zinc/39/06/27/353390627.db2.gz ZHMAPBFGMDEUHK-DOMZBBRYSA-N -1 0 315.373 1.583 50 0 DDAARM O=C([O-])C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1 ZINC000004998541 304035597 /nfs/dbraw/zinc/03/55/97/304035597.db2.gz IESBJFYDBBFYNV-VIFPVBQESA-N -1 0 322.122 1.419 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000003282598 181000286 /nfs/dbraw/zinc/00/02/86/181000286.db2.gz SCFAIJDLVZQJNW-ZJNQMXKESA-N -1 0 315.416 1.783 50 0 DDAARM CC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000004063129 181068735 /nfs/dbraw/zinc/06/87/35/181068735.db2.gz FPHRLNBKMDDMRT-LBPRGKRZSA-N -1 0 319.313 1.329 50 0 biogenic DDAARM COc1ccc(OC)c(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000004248962 181087594 /nfs/dbraw/zinc/08/75/94/181087594.db2.gz AFXHDVQEBLDQGK-UHFFFAOYSA-N -1 0 322.346 1.325 50 0 DDAARM CCC(=O)[N-]C(=O)c1c(NC(=O)CC)onc1-c1ccccn1 ZINC000004771745 181150571 /nfs/dbraw/zinc/15/05/71/181150571.db2.gz BVLHHYIWVLXLIJ-UHFFFAOYSA-N -1 0 316.317 1.752 50 0 DDAARM CC[C@H](CC(=O)[N-]S(=O)(=O)c1cn[nH]n1)c1ccccc1 ZINC000585136161 354812190 /nfs/dbraw/zinc/81/21/90/354812190.db2.gz TZOIUTKQGSNLSI-SNVBAGLBSA-N -1 0 308.363 1.194 50 0 DDAARM Cc1nnc(S[C@@H](C)C(=O)NCc2ccccc2)[n-]c1=O ZINC000004911691 181172206 /nfs/dbraw/zinc/17/22/06/181172206.db2.gz RPHFQQHTEMNSBI-JTQLQIEISA-N -1 0 304.375 1.683 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1OC ZINC000004942691 181176821 /nfs/dbraw/zinc/17/68/21/181176821.db2.gz VJWKNAQDLGZJSW-SNVBAGLBSA-N -1 0 302.290 1.279 50 0 DDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1OC ZINC000262788302 283114540 /nfs/dbraw/zinc/11/45/40/283114540.db2.gz NIAUBCWJWJIHTG-UHFFFAOYSA-N -1 0 321.782 1.834 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000005652420 181267870 /nfs/dbraw/zinc/26/78/70/181267870.db2.gz DZRNKUZLHFZXTI-UHFFFAOYSA-N -1 0 322.390 1.796 50 0 DDAARM CCC[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000236898211 202060412 /nfs/dbraw/zinc/06/04/12/202060412.db2.gz UFPSTSUHJRYAHS-CYBMUJFWSA-N -1 0 304.346 1.797 50 0 DDAARM CCO[C@H](C)c1nc(CC(=O)N2CCC[C@H]2C(=O)[O-])cs1 ZINC000236918808 202070142 /nfs/dbraw/zinc/07/01/42/202070142.db2.gz CDUFNSKFQIKJRZ-KOLCDFICSA-N -1 0 312.391 1.859 50 0 DDAARM CCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000237020680 202126148 /nfs/dbraw/zinc/12/61/48/202126148.db2.gz UFPSTSUHJRYAHS-ZDUSSCGKSA-N -1 0 304.346 1.797 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)C[C@H]1C=CCC1)C2 ZINC000072135143 304064055 /nfs/dbraw/zinc/06/40/55/304064055.db2.gz ODHKPPSZHVHYQE-LBPRGKRZSA-N -1 0 303.362 1.599 50 0 DDAARM O=C([O-])CN(CCc1ccccc1)C(=O)c1ccncc1F ZINC000178141674 304066431 /nfs/dbraw/zinc/06/64/31/304066431.db2.gz FQFCBDSFPVZCQL-UHFFFAOYSA-N -1 0 302.305 1.990 50 0 DDAARM Cc1ccc2nc(CSc3nnc(C)c(=O)[n-]3)cc(=O)n2c1 ZINC000005927889 181297031 /nfs/dbraw/zinc/29/70/31/181297031.db2.gz WZKYFNBYVMYXJO-UHFFFAOYSA-N -1 0 315.358 1.494 50 0 DDAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccnn1C ZINC000187534306 200124621 /nfs/dbraw/zinc/12/46/21/200124621.db2.gz OLXNFUSRVIOECJ-UHFFFAOYSA-N -1 0 303.318 1.156 50 0 DDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237711789 202335340 /nfs/dbraw/zinc/33/53/40/202335340.db2.gz KBMKEOPXPCSDRC-INIZCTEOSA-N -1 0 316.361 1.591 50 0 DDAARM NC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000237720922 202338908 /nfs/dbraw/zinc/33/89/08/202338908.db2.gz PEYMBJSIIGWBTI-NSHDSACASA-N -1 0 304.346 1.503 50 0 DDAARM Cc1ccc2[nH]cc(CCC(=O)N3CCO[C@H](C(=O)[O-])C3)c2c1 ZINC000237860551 202372099 /nfs/dbraw/zinc/37/20/99/202372099.db2.gz NFVSQQQWIKCDND-HNNXBMFYSA-N -1 0 316.357 1.721 50 0 DDAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)NCC1CCCCC1 ZINC000223583438 201650389 /nfs/dbraw/zinc/65/03/89/201650389.db2.gz LIOXHRCTEGAFFI-OLZOCXBDSA-N -1 0 314.382 1.125 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)C2(c3ccccc3)CCC2)CC1 ZINC000262437731 203294335 /nfs/dbraw/zinc/29/43/35/203294335.db2.gz FUBXUFZRWASOKF-UHFFFAOYSA-N -1 0 303.358 1.546 50 0 DDAARM O=C(CCOC[C@@H]1CCCO1)N[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000095970334 193467339 /nfs/dbraw/zinc/46/73/39/193467339.db2.gz YACLWKPZOAWDGX-IHRRRGAJSA-N -1 0 313.394 1.722 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000009053817 181598877 /nfs/dbraw/zinc/59/88/77/181598877.db2.gz LRTBCPFCBUZNSH-OTYXRUKQSA-N -1 0 317.345 1.081 50 0 DDAARM Cc1cc(O)c2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc2c1 ZINC000020610292 182238357 /nfs/dbraw/zinc/23/83/57/182238357.db2.gz NDNOYMXWOUXPFR-UHFFFAOYSA-N -1 0 319.313 1.249 50 0 DDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)n[nH]1 ZINC000021096419 182265177 /nfs/dbraw/zinc/26/51/77/182265177.db2.gz BHBXJVOEWQGKKP-UHFFFAOYSA-N -1 0 313.310 1.526 50 0 DDAARM CC[C@@H](NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1)C(=O)[O-] ZINC000035686335 182786278 /nfs/dbraw/zinc/78/62/78/182786278.db2.gz QRRQVGAQZNBQJR-SECBINFHSA-N -1 0 306.318 1.778 50 0 DDAARM CSc1ncc(Br)c(C(=O)NCCC(=O)[O-])n1 ZINC000041157356 183179128 /nfs/dbraw/zinc/17/91/28/183179128.db2.gz WCTMCFBKRPWTAT-UHFFFAOYSA-N -1 0 320.168 1.166 50 0 DDAARM O=C([O-])[C@H]1Cc2nc(NC(=O)c3ccco3)sc2C(=O)C1 ZINC000299761457 304207658 /nfs/dbraw/zinc/20/76/58/304207658.db2.gz WYMAHMNXOLFMCB-LURJTMIESA-N -1 0 306.299 1.818 50 0 DDAARM CCOc1c(Cl)cc(C(=O)[N-]S(C)(=O)=O)cc1OC ZINC000042280347 183250023 /nfs/dbraw/zinc/25/00/23/183250023.db2.gz DJYRPPZEJIXWCB-UHFFFAOYSA-N -1 0 307.755 1.437 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)CCO1 ZINC000049864800 183761147 /nfs/dbraw/zinc/76/11/47/183761147.db2.gz OFGAMNCNMYKILX-LXOKAJLYSA-N -1 0 301.751 1.727 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1 ZINC000268963797 207127762 /nfs/dbraw/zinc/12/77/62/207127762.db2.gz BIMCPSXFMYGGTH-GFCCVEGCSA-N -1 0 313.737 1.421 50 0 DDAARM COc1ccc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1F ZINC000269000181 207155640 /nfs/dbraw/zinc/15/56/40/207155640.db2.gz YCHWRPZHQCTIFG-LBPRGKRZSA-N -1 0 311.309 1.079 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000062119971 184206966 /nfs/dbraw/zinc/20/69/66/184206966.db2.gz YAHRVLPJFNSLGL-ZETCQYMHSA-N -1 0 307.730 1.574 50 0 DDAARM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc2nncn2c1 ZINC000065199027 184314238 /nfs/dbraw/zinc/31/42/38/184314238.db2.gz WCTQEINRUHFWGL-UHFFFAOYSA-N -1 0 318.314 1.259 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000269169587 207290649 /nfs/dbraw/zinc/29/06/49/207290649.db2.gz HDBWLZXMAJHWCX-GFCCVEGCSA-N -1 0 321.348 1.807 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1nccc2ccccc21 ZINC000157854528 197220786 /nfs/dbraw/zinc/22/07/86/197220786.db2.gz UKRLEQMGORREFJ-NSHDSACASA-N -1 0 320.370 1.331 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCn1ccc2ccccc21 ZINC000268982325 257257043 /nfs/dbraw/zinc/25/70/43/257257043.db2.gz NNYNRDRCMFKPRW-AWEZNQCLSA-N -1 0 302.330 1.343 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C2 ZINC000299746531 533284467 /nfs/dbraw/zinc/28/44/67/533284467.db2.gz YAFUCVFBDFDPNB-SJKOYZFVSA-N -1 0 319.357 1.570 50 0 DDAARM COc1cc(/C=C/C(=O)N(C)CCC(=O)[O-])cc2c1OCCO2 ZINC000328593043 533462094 /nfs/dbraw/zinc/46/20/94/533462094.db2.gz FLBCGBDTAJQLDD-ONEGZZNKSA-N -1 0 321.329 1.413 50 0 DDAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc(OC)c1OC ZINC000000208886 406631651 /nfs/dbraw/zinc/63/16/51/406631651.db2.gz PDXJCZICGBWZOC-UHFFFAOYSA-N -1 0 323.345 1.649 50 0 DDAARM CCn1c(CSc2nc(N)n[nH]2)nc2cc(C(=O)[O-])ccc21 ZINC000002659633 406696184 /nfs/dbraw/zinc/69/61/84/406696184.db2.gz IUAXNJRDRINNMZ-UHFFFAOYSA-N -1 0 318.362 1.747 50 0 DDAARM CCN(C[C@H](O)COc1ccccc1Cl)S(=O)(=O)[O-] ZINC000002825913 406701664 /nfs/dbraw/zinc/70/16/64/406701664.db2.gz JUDOIBXIJOAANW-VIFPVBQESA-N -1 0 309.771 1.204 50 0 DDAARM O=C(/C=C/c1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000069811186 406776455 /nfs/dbraw/zinc/77/64/55/406776455.db2.gz NUZMFNTXZUTUOK-HBWSCVEGSA-N -1 0 309.387 1.715 50 0 DDAARM COc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(C)C3=O)NN2)cc1 ZINC000009059085 406802376 /nfs/dbraw/zinc/80/23/76/406802376.db2.gz RJOUSSJYESACNT-OQDIYGIBSA-N -1 0 316.317 1.037 50 0 DDAARM CCc1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])sc1C ZINC000070215819 406812114 /nfs/dbraw/zinc/81/21/14/406812114.db2.gz BSKLRQIMGLAJRU-SNVBAGLBSA-N -1 0 310.375 1.034 50 0 DDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nccs2)c1 ZINC000011615561 406829467 /nfs/dbraw/zinc/82/94/67/406829467.db2.gz GUENAPRDVSNOHY-UHFFFAOYSA-N -1 0 300.361 1.961 50 0 DDAARM CSc1cccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)c1 ZINC000011905421 406831756 /nfs/dbraw/zinc/83/17/56/406831756.db2.gz MBISAXLQEIHOMR-UHFFFAOYSA-N -1 0 322.415 1.926 50 0 DDAARM CCc1cccc(C)c1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012983718 406857381 /nfs/dbraw/zinc/85/73/81/406857381.db2.gz UXCRFMLXHGTMQB-UHFFFAOYSA-N -1 0 301.346 1.436 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1 ZINC000013026919 406858446 /nfs/dbraw/zinc/85/84/46/406858446.db2.gz OMDHWAJJVRHXEM-AWEZNQCLSA-N -1 0 323.345 1.800 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2COc3ccccc3O2)CCCCC1 ZINC000014247093 406874154 /nfs/dbraw/zinc/87/41/54/406874154.db2.gz ZIOINCMDSNONLE-CYBMUJFWSA-N -1 0 305.330 1.730 50 0 DDAARM CCCC[C@H](C(=O)[O-])[N@@H+]1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072474875 406883514 /nfs/dbraw/zinc/88/35/14/406883514.db2.gz FNEKQMQAGMEZKN-CQSZACIVSA-N -1 0 323.393 1.749 50 0 DDAARM COc1ccc(-c2nnc(CCC(=O)NC3CC3)c(=O)[n-]2)cc1 ZINC000034762727 406964548 /nfs/dbraw/zinc/96/45/48/406964548.db2.gz AFMJIQDOWIVVHL-UHFFFAOYSA-N -1 0 314.345 1.464 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000034926371 406965451 /nfs/dbraw/zinc/96/54/51/406965451.db2.gz QUUAUSDYQPWPQF-HUUCEWRRSA-N -1 0 316.401 1.688 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3nncn3n2)c(C)c1 ZINC000033277227 406960692 /nfs/dbraw/zinc/96/06/92/406960692.db2.gz CXMCYTNGMRWLSM-UHFFFAOYSA-N -1 0 303.347 1.542 50 0 DDAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C2CC2)cc1OC ZINC000045922923 407050499 /nfs/dbraw/zinc/05/04/99/407050499.db2.gz SXSUWMPDTOUXIB-ABAIWWIYSA-N -1 0 305.330 1.840 50 0 DDAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cn(CC)c(C)n1 ZINC000050265525 407129886 /nfs/dbraw/zinc/12/98/86/407129886.db2.gz JLYHJOMEYWUUKZ-SECBINFHSA-N -1 0 303.384 1.085 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)nn2C)cc1 ZINC000089591699 407141316 /nfs/dbraw/zinc/14/13/16/407141316.db2.gz KFRHTZSLNGXDLP-ZDUSSCGKSA-N -1 0 317.345 1.683 50 0 DDAARM CCCc1noc(CN(C)[C@@H](C(=O)[O-])c2ccc(N)nc2)n1 ZINC000095376005 407211126 /nfs/dbraw/zinc/21/11/26/407211126.db2.gz IHSHKHXJGUGGAM-CYBMUJFWSA-N -1 0 305.338 1.257 50 0 DDAARM Cc1ncsc1CCC(=O)N[C@@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000095385059 407212591 /nfs/dbraw/zinc/21/25/91/407212591.db2.gz WOCQGONAUYQZHW-CYBMUJFWSA-N -1 0 322.390 1.666 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)COCCOc1ccccc1)C1CC1 ZINC000095970301 407218898 /nfs/dbraw/zinc/21/88/98/407218898.db2.gz BANRUVXRJBWZFE-CQSZACIVSA-N -1 0 307.346 1.452 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn([C@@H]2CCOC2)c1 ZINC000096123254 407239327 /nfs/dbraw/zinc/23/93/27/407239327.db2.gz YWCCCHYNCXXOIQ-LLVKDONJSA-N -1 0 312.351 1.250 50 0 DDAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCOc1ccccc1 ZINC000096152017 407241765 /nfs/dbraw/zinc/24/17/65/407241765.db2.gz INQJZQJUBMEHEC-OAHLLOKOSA-N -1 0 315.329 1.389 50 0 DDAARM O=C([O-])c1cn(C[C@@H]2CCCN(C(=O)C3=CCCC3)C2)nn1 ZINC000067560397 407276822 /nfs/dbraw/zinc/27/68/22/407276822.db2.gz MPFCLFBFQSAZBV-LLVKDONJSA-N -1 0 304.350 1.325 50 0 DDAARM O=C([O-])Cn1nc(C2CC2)nc1-c1ccccc1-c1nc[nH]n1 ZINC000097578888 407299751 /nfs/dbraw/zinc/29/97/51/407299751.db2.gz CGAXYNMWMXZTOU-UHFFFAOYSA-N -1 0 310.317 1.692 50 0 DDAARM Cc1nccn1CC1(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000097743600 407302068 /nfs/dbraw/zinc/30/20/68/407302068.db2.gz UBBIZKJBVWLVPJ-QWHCGFSZSA-N -1 0 305.378 1.589 50 0 DDAARM O=C(CCc1cc(=O)[n-]o1)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000219615665 407532819 /nfs/dbraw/zinc/53/28/19/407532819.db2.gz KUKORQJIYPHOBH-GLKRBJQHSA-N -1 0 317.345 1.336 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1F ZINC000236628260 407734658 /nfs/dbraw/zinc/73/46/58/407734658.db2.gz AIQBXQCXSJSAJN-KGTBHZDVSA-N -1 0 307.321 1.931 50 0 DDAARM CC1(C)C(=O)NCCN1C(=O)CCc1ccccc1C(=O)[O-] ZINC000262181365 407760134 /nfs/dbraw/zinc/76/01/34/407760134.db2.gz MMWAHGOHJRSFEO-UHFFFAOYSA-N -1 0 304.346 1.054 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)CCO1 ZINC000237966213 407857472 /nfs/dbraw/zinc/85/74/72/407857472.db2.gz BSEVBDLRVUGYSI-LLVKDONJSA-N -1 0 317.263 1.560 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCc2ccc(Cl)s2)CCO1 ZINC000237965613 407858158 /nfs/dbraw/zinc/85/81/58/407858158.db2.gz BUYUTOQFGKSMSU-SECBINFHSA-N -1 0 303.767 1.646 50 0 DDAARM O=C([O-])CN(C(=O)c1cc(=O)[nH]c2cc(F)ccc21)C1CC1 ZINC000238084797 407886777 /nfs/dbraw/zinc/88/67/77/407886777.db2.gz HTPLIFOFLINDGL-UHFFFAOYSA-N -1 0 304.277 1.356 50 0 DDAARM O=C([O-])CC1CCN(C(=O)CS(=O)(=O)C2CCCC2)CC1 ZINC000262497135 407849938 /nfs/dbraw/zinc/84/99/38/407849938.db2.gz XQDRVPRKYBUMSL-UHFFFAOYSA-N -1 0 317.407 1.057 50 0 DDAARM CC(C)(C)NC(=O)CNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000154633880 408062878 /nfs/dbraw/zinc/06/28/78/408062878.db2.gz HTXKNRIJXRZQFK-UHFFFAOYSA-N -1 0 307.375 1.761 50 0 DDAARM CCn1ncc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C(F)(F)F ZINC000136125906 408079992 /nfs/dbraw/zinc/07/99/92/408079992.db2.gz QAQPQASMPOTLEK-MRVPVSSYSA-N -1 0 319.283 1.859 50 0 DDAARM C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000137174570 408143634 /nfs/dbraw/zinc/14/36/34/408143634.db2.gz VTENMINGPFOBGH-GXSJLCMTSA-N -1 0 322.386 1.728 50 0 DDAARM O=C([O-])C1(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)CC1 ZINC000191624825 408459157 /nfs/dbraw/zinc/45/91/57/408459157.db2.gz GVQPBEMGYNFLLA-GFCCVEGCSA-N -1 0 308.378 1.149 50 0 DDAARM CCc1nc(S([O-])=CC(=O)N(C)[C@@H]2CCCC[C@H]2C)n[nH]1 ZINC000252512715 408804257 /nfs/dbraw/zinc/80/42/57/408804257.db2.gz UZYJTSSALNLXRD-OIAVYIFSSA-N -1 0 312.439 1.512 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2onc(C)c2C)c(C)o1 ZINC000163186557 408767795 /nfs/dbraw/zinc/76/77/95/408767795.db2.gz ICEPQEXKKSQVQA-UHFFFAOYSA-N -1 0 314.319 1.780 50 0 DDAARM O=C([O-])c1cc2cc(NC(=O)[C@H]3COCCO3)ccc2s1 ZINC000263280324 163942878 /nfs/dbraw/zinc/94/28/78/163942878.db2.gz ZZSBFKDJSAPTEU-SNVBAGLBSA-N -1 0 307.327 1.953 50 0 DDAARM COCc1cccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000263548903 163982954 /nfs/dbraw/zinc/98/29/54/163982954.db2.gz VMSFEYRWIAUTSQ-AWEZNQCLSA-N -1 0 307.346 1.078 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(OC)c1 ZINC000013536131 292517490 /nfs/dbraw/zinc/51/74/90/292517490.db2.gz PZYQDWWXWZIUSI-UKRRQHHQSA-N -1 0 307.346 1.706 50 0 DDAARM CC[C@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049515128 418478468 /nfs/dbraw/zinc/47/84/68/418478468.db2.gz ZYCMEGBGDMAQIW-VIFPVBQESA-N -1 0 306.771 1.106 50 0 DDAARM CC(C)(C(=O)N[C@H](CC(=O)[O-])c1ccccc1)N1CCOCC1 ZINC000426486087 419486544 /nfs/dbraw/zinc/48/65/44/419486544.db2.gz XNJDTRODACZDQH-CQSZACIVSA-N -1 0 320.389 1.429 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000299742234 229379855 /nfs/dbraw/zinc/37/98/55/229379855.db2.gz JCBUVPXJSVZYCV-GFCCVEGCSA-N -1 0 305.330 1.324 50 0 DDAARM O=C([O-])C1CCN(C(=O)CCc2ccc3c(c2)OCCO3)CC1 ZINC000299746514 229388676 /nfs/dbraw/zinc/38/86/76/229388676.db2.gz XWVWCSKTSJZCLR-UHFFFAOYSA-N -1 0 319.357 1.714 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000299750371 229393969 /nfs/dbraw/zinc/39/39/69/229393969.db2.gz NGYGCROSNWFYMM-UPJWGTAASA-N -1 0 309.749 1.756 50 0 DDAARM CC[C@](CNC(=O)c1cnnc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000630195743 421951493 /nfs/dbraw/zinc/95/14/93/421951493.db2.gz CFBLEQXJWBTRNS-QGZVFWFLSA-N -1 0 313.357 1.947 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000033450697 263253063 /nfs/dbraw/zinc/25/30/63/263253063.db2.gz RRBGEHBXIMMUJP-RNZFLTOJSA-N -1 0 303.314 1.547 50 0 DDAARM CC(=O)N[C@@H](Cc1c(C)[nH]c2c(C)cccc2c1=O)C(=O)[O-] ZINC000067620646 278140827 /nfs/dbraw/zinc/14/08/27/278140827.db2.gz PYZGZZFHCYWESC-ZDUSSCGKSA-N -1 0 302.330 1.277 50 0 DDAARM CC(=O)SC[C@@H](C)C(=O)N1[C@H](C(=O)[O-])CSC1(C)C ZINC000039331937 278223227 /nfs/dbraw/zinc/22/32/27/278223227.db2.gz BBCOUGJJTVEWAV-APPZFPTMSA-N -1 0 305.421 1.667 50 0 DDAARM CC(C)[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)c2ccccc21 ZINC000278264322 280000021 /nfs/dbraw/zinc/00/00/21/280000021.db2.gz HFENCYBTLKZBBU-NSHDSACASA-N -1 0 318.402 1.977 50 0 DDAARM CN1C(=O)COc2cc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)ccc21 ZINC000071287289 289816543 /nfs/dbraw/zinc/81/65/43/289816543.db2.gz PJWXYJYIJOWZLJ-QWHCGFSZSA-N -1 0 318.329 1.337 50 0 DDAARM Cc1ccnc(N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)c1 ZINC000095384351 292769445 /nfs/dbraw/zinc/76/94/45/292769445.db2.gz INHLJDPBRDUZFV-GFCCVEGCSA-N -1 0 303.362 1.292 50 0 DDAARM COc1ccc2oc(C)c(C(=O)N3CCOC[C@H]3C(=O)[O-])c2c1 ZINC000299753931 295280359 /nfs/dbraw/zinc/28/03/59/295280359.db2.gz ZUZZVBZDGWUPHZ-LBPRGKRZSA-N -1 0 319.313 1.675 50 0 DDAARM CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000069848867 295524747 /nfs/dbraw/zinc/52/47/47/295524747.db2.gz KKOZBYXRNRDPLV-NXEZZACHSA-N -1 0 318.192 1.628 50 0 DDAARM C[C@H](CCc1ccccc1F)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268978419 298468959 /nfs/dbraw/zinc/46/89/59/298468959.db2.gz LMUHSCJEIUFNNR-RISCZKNCSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1ccc(-c2cc(C(=O)[O-])c3c(=O)[nH]c(=O)n(C)c3n2)cc1 ZINC000008427672 301467186 /nfs/dbraw/zinc/46/71/86/301467186.db2.gz UFJYDUXXTRRZLA-UHFFFAOYSA-N -1 0 311.297 1.295 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cnc(-c3ccccc3)nc2)CCO1 ZINC000532001988 303269148 /nfs/dbraw/zinc/26/91/48/303269148.db2.gz JNFYDTIJQYPTRK-CYBMUJFWSA-N -1 0 313.313 1.069 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000237744147 303342754 /nfs/dbraw/zinc/34/27/54/303342754.db2.gz JEQKFWPWTQXNOL-RDBSUJKOSA-N -1 0 316.357 1.643 50 0 DDAARM CCCc1ncncc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000534575228 334287483 /nfs/dbraw/zinc/28/74/83/334287483.db2.gz VFYNLRVWRMWNNV-HNNXBMFYSA-N -1 0 313.357 1.855 50 0 DDAARM Cc1ccc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])n1C(F)F ZINC000534673605 334321289 /nfs/dbraw/zinc/32/12/89/334321289.db2.gz BIIOHQGZLQAYST-NSHDSACASA-N -1 0 324.287 1.566 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)CCO1 ZINC000299748478 534524693 /nfs/dbraw/zinc/52/46/93/534524693.db2.gz HDXJBNHGYPMDLI-HIFRSBDPSA-N -1 0 303.358 1.809 50 0 DDAARM CC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000299753800 527154565 /nfs/dbraw/zinc/15/45/65/527154565.db2.gz ZKDANMHVKOQVBN-VXGBXAGGSA-N -1 0 319.357 1.572 50 0 DDAARM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299750880 528886546 /nfs/dbraw/zinc/88/65/46/528886546.db2.gz OOPCIZIMFAFIFR-WDEREUQCSA-N -1 0 315.329 1.405 50 0 DDAARM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299746401 529160169 /nfs/dbraw/zinc/16/01/69/529160169.db2.gz XDIJEAJZAOVFFJ-KBPBESRZSA-N -1 0 307.346 1.464 50 0 DDAARM NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1[O-] ZINC000000616031 696005186 /nfs/dbraw/zinc/00/51/86/696005186.db2.gz HZJVNBIGYRHGJS-UHFFFAOYSA-N -1 0 310.306 1.431 50 0 DDAARM Cc1ccc2cccc(OCCN3C[C@@H](C(=O)[O-])CC3=O)c2n1 ZINC000065455183 696345199 /nfs/dbraw/zinc/34/51/99/696345199.db2.gz OWSUIANXSKTHSK-ZDUSSCGKSA-N -1 0 314.341 1.855 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cnn(C3CCOCC3)c2)ccn1 ZINC000137180018 696857334 /nfs/dbraw/zinc/85/73/34/696857334.db2.gz WFHODPUTBRTJEI-UHFFFAOYSA-N -1 0 322.390 1.739 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCCn2cnc(C)c2C)c1 ZINC000824583623 759190139 /nfs/dbraw/zinc/19/01/39/759190139.db2.gz IONTZMLMUSDSFN-UHFFFAOYSA-N -1 0 317.345 1.637 50 0 DDAARM C/C(=C\C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccncc1 ZINC000584907899 771884686 /nfs/dbraw/zinc/88/46/86/771884686.db2.gz CCRXWXYOBRJQOM-IEZBTEQYSA-N -1 0 324.402 1.500 50 0 DDAARM C[C@@H]1C(=O)N([N-]C(=O)c2cc(F)c(F)c(F)c2F)C(=O)N1C ZINC000585127545 771959703 /nfs/dbraw/zinc/95/97/03/771959703.db2.gz CUVBFJZIUBAJHS-SCSAIBSYSA-N -1 0 319.214 1.170 50 0 DDAARM COc1ccc(-c2ncc(CNCc3n[nH]c(=O)[n-]3)cn2)cc1 ZINC000952860898 775589176 /nfs/dbraw/zinc/58/91/76/775589176.db2.gz ALESUBNXYRDBAC-UHFFFAOYSA-N -1 0 312.333 1.266 50 0 DDAARM O=C([O-])C1(NC(=O)Cc2cn3ccccc3n2)CCCCC1 ZINC000083255444 185221686 /nfs/dbraw/zinc/22/16/86/185221686.db2.gz XKQGUVABINRSIC-UHFFFAOYSA-N -1 0 301.346 1.781 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(-c2cccs2)n1 ZINC000088375166 185247600 /nfs/dbraw/zinc/24/76/00/185247600.db2.gz VSCFNDZLZLYQMK-SECBINFHSA-N -1 0 324.383 1.797 50 0 DDAARM Cc1cc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)nn1C ZINC000262902737 539275916 /nfs/dbraw/zinc/27/59/16/539275916.db2.gz DAJHKQGMFNGHRM-NSHDSACASA-N -1 0 317.345 1.683 50 0 DDAARM CN1N=C(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)CCC1=O ZINC000095389919 185351077 /nfs/dbraw/zinc/35/10/77/185351077.db2.gz GVHUEFRQIFUICU-LBPRGKRZSA-N -1 0 321.308 1.066 50 0 DDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1nccs1)CC2 ZINC000095391585 185351438 /nfs/dbraw/zinc/35/14/38/185351438.db2.gz MGRPTLQJEOZAFQ-JTQLQIEISA-N -1 0 309.391 1.041 50 0 DDAARM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000069812175 190821862 /nfs/dbraw/zinc/82/18/62/190821862.db2.gz ZQOQBUAOEKTWBG-LLVKDONJSA-N -1 0 324.402 1.225 50 0 DDAARM CSc1ccc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])cc1 ZINC000072410637 191154737 /nfs/dbraw/zinc/15/47/37/191154737.db2.gz HXXUHNFMWLSDHR-CYBMUJFWSA-N -1 0 317.370 1.956 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1Sc1n[nH]c(=O)[n-]c1=O ZINC000004158669 181079365 /nfs/dbraw/zinc/07/93/65/181079365.db2.gz RIFAZTSPIQICHA-UHFFFAOYSA-N -1 0 315.358 1.824 50 0 DDAARM CCOC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004329626 181098735 /nfs/dbraw/zinc/09/87/35/181098735.db2.gz JOMUVIQCNVPWES-UHFFFAOYSA-N -1 0 300.361 1.453 50 0 DDAARM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(C)n2)cc1 ZINC000004750073 181147564 /nfs/dbraw/zinc/14/75/64/181147564.db2.gz KMVKICTVNUBYAJ-UHFFFAOYSA-N -1 0 322.346 1.764 50 0 DDAARM CC(C)[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004794523 181152815 /nfs/dbraw/zinc/15/28/15/181152815.db2.gz RQLYPCLOROQBGI-CYBMUJFWSA-N -1 0 308.334 1.138 50 0 DDAARM O=C([O-])CC1(NC(=O)C2(Cn3cccn3)CC2)CCCCC1 ZINC000426478093 304043574 /nfs/dbraw/zinc/04/35/74/304043574.db2.gz VZHWRAGHGLVRCH-UHFFFAOYSA-N -1 0 305.378 1.957 50 0 DDAARM COc1ccc2c(CC(=O)N3CC[C@H](C(=O)[O-])C3)coc2c1 ZINC000237267537 202210637 /nfs/dbraw/zinc/21/06/37/202210637.db2.gz KWZHNZCMJFNUOR-JTQLQIEISA-N -1 0 303.314 1.917 50 0 DDAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000089702014 192845976 /nfs/dbraw/zinc/84/59/76/192845976.db2.gz OXYYBCMERDWXSL-QWRGUYRKSA-N -1 0 314.432 1.617 50 0 DDAARM Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000237647167 202316823 /nfs/dbraw/zinc/31/68/23/202316823.db2.gz VMNIRDJFMYTQGP-OLZOCXBDSA-N -1 0 316.357 1.281 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(Cl)cc1F ZINC000237699650 202331865 /nfs/dbraw/zinc/33/18/65/202331865.db2.gz CSMKPBJIUGFKOO-LLVKDONJSA-N -1 0 301.701 1.713 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCSC1 ZINC000271885907 209296691 /nfs/dbraw/zinc/29/66/91/209296691.db2.gz DINZGFIFQMDUNR-OAHLLOKOSA-N -1 0 318.354 1.631 50 0 DDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cs1 ZINC000006681485 181369761 /nfs/dbraw/zinc/36/97/61/181369761.db2.gz OPFZPGXJFPCMGX-UHFFFAOYSA-N -1 0 300.336 1.787 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000299750391 304134963 /nfs/dbraw/zinc/13/49/63/304134963.db2.gz NIFFXXVCXRIMMD-WZRBSPASSA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1SCCc2ccccc21 ZINC000299747136 304135469 /nfs/dbraw/zinc/13/54/69/304135469.db2.gz CATDSYDTKMAILM-STQMWFEESA-N -1 0 307.371 1.329 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnn2c1CCC2 ZINC000263222862 304142366 /nfs/dbraw/zinc/14/23/66/304142366.db2.gz ZFHJOGAXIZLXDU-JKOKRWQUSA-N -1 0 303.362 1.687 50 0 DDAARM COc1cc(C(=O)NC(C)(C)CCC(=O)[O-])cc2c1OCCO2 ZINC000262614018 203352102 /nfs/dbraw/zinc/35/21/02/203352102.db2.gz LRDNDABXQRHAJQ-UHFFFAOYSA-N -1 0 323.345 1.840 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000263020431 203429075 /nfs/dbraw/zinc/42/90/75/203429075.db2.gz QFWWJTXIHFJJQG-SGIREYDYSA-N -1 0 319.357 1.786 50 0 DDAARM CCOc1ncc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1Cl ZINC000263225681 203446138 /nfs/dbraw/zinc/44/61/38/203446138.db2.gz APIIYOQDFSWBBT-JTQLQIEISA-N -1 0 314.725 1.059 50 0 DDAARM Cc1noc(C)c1[C@H](C(=O)[O-])N1CCN(c2cnccn2)CC1 ZINC000095357226 193429521 /nfs/dbraw/zinc/42/95/21/193429521.db2.gz YALDXSGKHSBYNM-CQSZACIVSA-N -1 0 317.349 1.029 50 0 DDAARM COc1cc(C(=O)NCCCC(=O)[O-])ccc1OC(F)F ZINC000095377537 193438198 /nfs/dbraw/zinc/43/81/98/193438198.db2.gz NKXYYBDHJJTELW-UHFFFAOYSA-N -1 0 303.261 1.891 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@@H]2OCCc3ccccc32)CCSC1 ZINC000043511127 304164335 /nfs/dbraw/zinc/16/43/35/304164335.db2.gz ATTKFHVKHXEYHH-IUODEOHRSA-N -1 0 307.371 1.377 50 0 DDAARM Cc1ccc(-n2ccn3c(CCC(=O)[O-])nnc3c2=O)cc1C ZINC000013362872 181846241 /nfs/dbraw/zinc/84/62/41/181846241.db2.gz TVOCZSBYAOJLAX-UHFFFAOYSA-N -1 0 312.329 1.514 50 0 DDAARM COc1cccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020319233 182206291 /nfs/dbraw/zinc/20/62/91/182206291.db2.gz KMWQDCZCXXLRTQ-VIFPVBQESA-N -1 0 303.318 1.618 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc2ccccc2s1 ZINC000020614734 182239499 /nfs/dbraw/zinc/23/94/99/182239499.db2.gz OWSRGKNJWSYYKF-UHFFFAOYSA-N -1 0 302.315 1.980 50 0 DDAARM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCC[C@H]3C(N)=O)c2c1 ZINC000020762865 182246729 /nfs/dbraw/zinc/24/67/29/182246729.db2.gz FVMFBAMSHUAQOC-KBPBESRZSA-N -1 0 301.346 1.552 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000299753145 304200236 /nfs/dbraw/zinc/20/02/36/304200236.db2.gz WZRGDPXFORMJJJ-CQSZACIVSA-N -1 0 318.304 1.542 50 0 DDAARM CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000040350769 183055757 /nfs/dbraw/zinc/05/57/57/183055757.db2.gz MJLFMHVFWJRWJL-UHFFFAOYSA-N -1 0 312.391 1.673 50 0 DDAARM COc1cccc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)c1 ZINC000040478869 183076082 /nfs/dbraw/zinc/07/60/82/183076082.db2.gz UAKAXNVMJPQYCD-UHFFFAOYSA-N -1 0 312.281 1.386 50 0 DDAARM CN(C[C@@H]1CCCO1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000104885742 194050323 /nfs/dbraw/zinc/05/03/23/194050323.db2.gz ZCHKRYHAMLKTFN-NSHDSACASA-N -1 0 319.336 1.968 50 0 DDAARM CCCc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])[nH]n1 ZINC000055108403 183964748 /nfs/dbraw/zinc/96/47/48/183964748.db2.gz ZPOMRIWVUPXPNW-AWEZNQCLSA-N -1 0 317.345 1.494 50 0 DDAARM Cc1noc(CCCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000268943986 207108485 /nfs/dbraw/zinc/10/84/85/207108485.db2.gz NTNKJTCVSDFWHQ-XQQFMLRXSA-N -1 0 321.377 1.945 50 0 DDAARM COc1cccc(NC(=O)[C@@H](Cc2cccnc2)c2nnn[n-]2)c1 ZINC000057523541 184041128 /nfs/dbraw/zinc/04/11/28/184041128.db2.gz UHIOSXSSMJRIBW-AWEZNQCLSA-N -1 0 324.344 1.568 50 0 DDAARM COc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc(OC)c1C ZINC000269024401 207176132 /nfs/dbraw/zinc/17/61/32/207176132.db2.gz JSLOJGBETQDRKV-INIZCTEOSA-N -1 0 307.346 1.949 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000269131118 207264745 /nfs/dbraw/zinc/26/47/45/207264745.db2.gz BJPBZRDHFMHNPD-DZGCQCFKSA-N -1 0 319.357 1.791 50 0 DDAARM COc1ccccc1[C@@H](C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299748940 532963148 /nfs/dbraw/zinc/96/31/48/532963148.db2.gz IOAAARSFMNEHAB-SMDDNHRTSA-N -1 0 307.346 1.501 50 0 DDAARM CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299752854 285101994 /nfs/dbraw/zinc/10/19/94/285101994.db2.gz VTDUHGFRLZWLQD-VXGBXAGGSA-N -1 0 307.346 1.773 50 0 DDAARM O=C([O-])c1cccc(CC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000263296283 304259231 /nfs/dbraw/zinc/25/92/31/304259231.db2.gz SNQMXUKIDVXGFL-PBHICJAKSA-N -1 0 319.357 1.382 50 0 DDAARM CCC(CC)n1nccc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000236732780 256600540 /nfs/dbraw/zinc/60/05/40/256600540.db2.gz CJAIZTNRNTWTGV-UHFFFAOYSA-N -1 0 323.393 1.950 50 0 DDAARM O=C([O-])CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000216626744 257273246 /nfs/dbraw/zinc/27/32/46/257273246.db2.gz HNTOTWWKNIDZSN-HNNXBMFYSA-N -1 0 308.293 1.886 50 0 DDAARM Cc1cc2nc(CN(Cc3nccn3C)C3CC3)cc(=O)n2[n-]1 ZINC000334159650 257262567 /nfs/dbraw/zinc/26/25/67/257262567.db2.gz HICHWFXZFNDNGI-UHFFFAOYSA-N -1 0 312.377 1.229 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cccc2c1OCO2 ZINC000071857651 184871257 /nfs/dbraw/zinc/87/12/57/184871257.db2.gz WZDUXNFJYRRVLC-RISCZKNCSA-N -1 0 321.329 1.426 50 0 DDAARM CC(C)[C@H](NC(=O)CN(C)C(=O)OCc1ccccc1)C(=O)[O-] ZINC000001576183 406670836 /nfs/dbraw/zinc/67/08/36/406670836.db2.gz XCUDDGWXYCDJGM-AWEZNQCLSA-N -1 0 322.361 1.480 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000001751678 406677783 /nfs/dbraw/zinc/67/77/83/406677783.db2.gz WURIPAYKVUIDHJ-NSHDSACASA-N -1 0 303.405 1.480 50 0 biogenic,in-vitro DDAARM O=C([O-])CCCNC(=O)Cc1cc(=O)oc2cc(O)ccc12 ZINC000002127954 406681297 /nfs/dbraw/zinc/68/12/97/406681297.db2.gz CDSJWJFVBNSPEQ-UHFFFAOYSA-N -1 0 305.286 1.022 50 0 biogenic DDAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002132901 406683144 /nfs/dbraw/zinc/68/31/44/406683144.db2.gz LJRLLGVCKZHEJZ-JTQLQIEISA-N -1 0 319.313 1.460 50 0 biogenic DDAARM CS(=O)(=O)[N-]c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000000378595 406643385 /nfs/dbraw/zinc/64/33/85/406643385.db2.gz JGOVSQMDOYSQDF-UHFFFAOYSA-N -1 0 306.390 1.071 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)CCO2 ZINC000069571103 406736668 /nfs/dbraw/zinc/73/66/68/406736668.db2.gz YYLWRGGDXVZUIC-CJNGLKHVSA-N -1 0 319.357 1.632 50 0 DDAARM NC(=O)c1ccc(N2CCCCC2)c(NC(=O)/C=C\C(=O)[O-])c1 ZINC000004467676 406726106 /nfs/dbraw/zinc/72/61/06/406726106.db2.gz PYDGPOPCLALTCL-SREVYHEPSA-N -1 0 317.345 1.355 50 0 DDAARM Nc1nnc(S(=O)(=O)Cc2ccc(Br)cc2)[n-]1 ZINC000008015769 406775507 /nfs/dbraw/zinc/77/55/07/406775507.db2.gz RWOGXCJIUOGWEO-UHFFFAOYSA-N -1 0 317.168 1.123 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000071285764 406836907 /nfs/dbraw/zinc/83/69/07/406836907.db2.gz QZRLGUKSNDKVBD-VHSXEESVSA-N -1 0 310.737 1.734 50 0 DDAARM COC(=O)C[C@H](NC(=O)CCC(=O)[O-])c1cc(C)ccc1C ZINC000013943510 406868450 /nfs/dbraw/zinc/86/84/50/406868450.db2.gz KAACLHDCJDQOEA-ZDUSSCGKSA-N -1 0 307.346 1.889 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)CCc1ccc(F)c(F)c1 ZINC000072149513 406873990 /nfs/dbraw/zinc/87/39/90/406873990.db2.gz GZPQGKRPRAGICC-NSHDSACASA-N -1 0 313.300 1.600 50 0 DDAARM Cc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2CCCn2ccnc2)o1 ZINC000072275662 406877710 /nfs/dbraw/zinc/87/77/10/406877710.db2.gz ZZDOPXZVKXNTMX-IUODEOHRSA-N -1 0 317.345 1.849 50 0 DDAARM CC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(C)c2)s1 ZINC000036182759 406976868 /nfs/dbraw/zinc/97/68/68/406976868.db2.gz NGHVKQZARYTLFF-UHFFFAOYSA-N -1 0 312.376 1.606 50 0 DDAARM COc1ccc2c(ccn2CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000032088607 406944397 /nfs/dbraw/zinc/94/43/97/406944397.db2.gz KJYHGOZLEBYYPG-UHFFFAOYSA-N -1 0 316.357 1.973 50 0 DDAARM COC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]C(=O)C(F)(F)F ZINC000032167748 406945730 /nfs/dbraw/zinc/94/57/30/406945730.db2.gz FRCDVDBVNOWDDM-NSHDSACASA-N -1 0 314.263 1.931 50 0 DDAARM CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000044973417 407037496 /nfs/dbraw/zinc/03/74/96/407037496.db2.gz VVRMSKUHPMVTPW-LBPRGKRZSA-N -1 0 304.346 1.972 50 0 DDAARM CCN([C@@H](C)COC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037837078 406993968 /nfs/dbraw/zinc/99/39/68/406993968.db2.gz RDZRRCQNBWGQJD-JTQLQIEISA-N -1 0 301.364 1.430 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCCCC1 ZINC000084543878 407090285 /nfs/dbraw/zinc/09/02/85/407090285.db2.gz AOKCURVONOVXOX-GFCCVEGCSA-N -1 0 322.405 1.681 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)CCCCC1 ZINC000084543881 407090421 /nfs/dbraw/zinc/09/04/21/407090421.db2.gz HNCNRJNYSVISQM-ZDUSSCGKSA-N -1 0 322.405 1.539 50 0 DDAARM CCC(=O)Nc1cccc(C(=O)N[C@H](CCSC)C(=O)[O-])c1 ZINC000055099920 407195784 /nfs/dbraw/zinc/19/57/84/407195784.db2.gz BDMBJWCEXRNALA-GFCCVEGCSA-N -1 0 324.402 1.971 50 0 DDAARM Cc1cccnc1CN1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000095384425 407212198 /nfs/dbraw/zinc/21/21/98/407212198.db2.gz UPVKALMLJBAYGO-UHFFFAOYSA-N -1 0 313.361 1.200 50 0 DDAARM Cc1nn(C(F)F)c(C)c1CC(=O)N(CCC(=O)[O-])C1CC1 ZINC000095969861 407218610 /nfs/dbraw/zinc/21/86/10/407218610.db2.gz FENATOZMLVVICJ-UHFFFAOYSA-N -1 0 315.320 1.903 50 0 DDAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Oc2ccccc2)o1 ZINC000096452109 407268576 /nfs/dbraw/zinc/26/85/76/407268576.db2.gz CROGHMIOGQIEIS-UHFFFAOYSA-N -1 0 300.274 1.413 50 0 DDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)nn2C)c1 ZINC000067484350 407275197 /nfs/dbraw/zinc/27/51/97/407275197.db2.gz KEDGLBMTVVKTGV-UHFFFAOYSA-N -1 0 323.374 1.480 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000097654112 407300858 /nfs/dbraw/zinc/30/08/58/407300858.db2.gz JUPJECHRBIHLGA-CYBMUJFWSA-N -1 0 313.317 1.404 50 0 DDAARM CC(C)(C)OC(=O)NOC(ONC(=O)OC(C)(C)C)C(=O)[O-] ZINC000098072748 407305350 /nfs/dbraw/zinc/30/53/50/407305350.db2.gz ZIYWXLQWLQAXNJ-UHFFFAOYSA-N -1 0 322.314 1.310 50 0 DDAARM COc1ncccc1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000170610554 407455272 /nfs/dbraw/zinc/45/52/72/407455272.db2.gz JLOAYDDGMAHFHA-UHFFFAOYSA-N -1 0 318.305 1.353 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccon1)c1cncc2ccccc21 ZINC000153403319 407815786 /nfs/dbraw/zinc/81/57/86/407815786.db2.gz APCZLRXAABJKAA-UHFFFAOYSA-N -1 0 317.326 1.483 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CCO1 ZINC000262440804 407836858 /nfs/dbraw/zinc/83/68/58/407836858.db2.gz URLRGZOAAYJTIJ-AUTRQRHGSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])C1(NC(=O)c2cc3c(cc2F)NC(=O)CC3)CCCC1 ZINC000237968182 407857692 /nfs/dbraw/zinc/85/76/92/407857692.db2.gz PIMVHXDGILAHID-UHFFFAOYSA-N -1 0 320.320 1.838 50 0 DDAARM C[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)c1c(F)cccc1F ZINC000262904513 407966862 /nfs/dbraw/zinc/96/68/62/407966862.db2.gz IZRGKQGYFFHKAU-SECBINFHSA-N -1 0 313.300 1.818 50 0 DDAARM CC(C)Cc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc(=O)[nH]1 ZINC000262817025 407944512 /nfs/dbraw/zinc/94/45/12/407944512.db2.gz VGQQZSCPPMQCFN-HNNXBMFYSA-N -1 0 310.325 1.625 50 0 DDAARM CCO[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000263171529 408045376 /nfs/dbraw/zinc/04/53/76/408045376.db2.gz KQLMAVHSLQRMQQ-RQJABVFESA-N -1 0 311.378 1.140 50 0 DDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cccc(OC(C)C)n2)C1 ZINC000263024910 408003451 /nfs/dbraw/zinc/00/34/51/408003451.db2.gz MIYPJDDMCFEEQG-RYUDHWBXSA-N -1 0 322.361 1.573 50 0 DDAARM Cc1noc(-c2ccccc2C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000136135375 408079737 /nfs/dbraw/zinc/07/97/37/408079737.db2.gz AQLOVIDAEREHPL-NSHDSACASA-N -1 0 315.329 1.982 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000136484034 408106288 /nfs/dbraw/zinc/10/62/88/408106288.db2.gz KUXPVVNBSLIKKO-CQSZACIVSA-N -1 0 314.341 1.536 50 0 DDAARM O=C([O-])c1cccc(CCNC(=O)c2cnn3c2CCCC3)c1 ZINC000191171911 408380833 /nfs/dbraw/zinc/38/08/33/408380833.db2.gz IJCWBIJMMXIYMH-UHFFFAOYSA-N -1 0 313.357 1.890 50 0 DDAARM C[C@@]1(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCCOC1 ZINC000262975490 163899660 /nfs/dbraw/zinc/89/96/60/163899660.db2.gz KHSWEAVGCWIXFR-NEPJUHHUSA-N -1 0 309.284 1.669 50 0 DDAARM COc1nc(C)ccc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000263210270 163930902 /nfs/dbraw/zinc/93/09/02/163930902.db2.gz ZNMVANOEGKZPJD-UHFFFAOYSA-N -1 0 321.358 1.526 50 0 DDAARM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)Cn2cccn2)c1 ZINC000263218942 163933492 /nfs/dbraw/zinc/93/34/92/163933492.db2.gz QHVNNMZPHNKWSC-MRXNPFEDSA-N -1 0 317.345 1.398 50 0 DDAARM CC(C)c1cccc(OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000320878419 164043162 /nfs/dbraw/zinc/04/31/62/164043162.db2.gz BIJFPBWIYQUYAO-HNNXBMFYSA-N -1 0 321.373 1.891 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000318932145 409885478 /nfs/dbraw/zinc/88/54/78/409885478.db2.gz PBIBWEIWFVTZLV-GXFFZTMASA-N -1 0 305.330 1.586 50 0 DDAARM CC(C)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(=O)n1C ZINC000299795192 410636049 /nfs/dbraw/zinc/63/60/49/410636049.db2.gz JWFRFSLJPZXABV-ZDUSSCGKSA-N -1 0 306.362 1.588 50 0 DDAARM O=C(Nc1nccs1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000044942649 418433117 /nfs/dbraw/zinc/43/31/17/418433117.db2.gz UMWAMNKCNHJXSL-UHFFFAOYSA-N -1 0 304.356 1.921 50 0 DDAARM NC(=O)c1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000102728156 418495531 /nfs/dbraw/zinc/49/55/31/418495531.db2.gz DGCSCZIOTWIUTL-BUHFOSPRSA-N -1 0 323.308 1.645 50 0 DDAARM COc1ccc(C)c(NC(=O)c2c[n-]n3c2nc(C)cc3=O)c1 ZINC000102905528 418495540 /nfs/dbraw/zinc/49/55/40/418495540.db2.gz KCZLHOFVCCNBGT-UHFFFAOYSA-N -1 0 312.329 1.900 50 0 DDAARM O=C([N-]S(=O)(=O)c1cncc(Cl)c1)c1cncc(F)c1 ZINC000119466796 418503189 /nfs/dbraw/zinc/50/31/89/418503189.db2.gz HXOXECYVQXXSKF-UHFFFAOYSA-N -1 0 315.713 1.388 50 0 DDAARM COc1cc(CN(C)Cc2ncc[nH]2)ccc1O[C@@H](C)C(=O)[O-] ZINC000216134513 418559688 /nfs/dbraw/zinc/55/96/88/418559688.db2.gz QUYGVQUDNVLCAM-NSHDSACASA-N -1 0 319.361 1.902 50 0 DDAARM CN(Cc1[nH]nc2c1CCC2)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000426470916 419476199 /nfs/dbraw/zinc/47/61/99/419476199.db2.gz UYXSCPGGJWDBPA-UHFFFAOYSA-N -1 0 318.333 1.531 50 0 DDAARM COC[C@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1ccccn1 ZINC000426712621 419534256 /nfs/dbraw/zinc/53/42/56/419534256.db2.gz KFJVAPJRPINBNT-LBPRGKRZSA-N -1 0 317.345 1.842 50 0 DDAARM Cc1nnc(CCC(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)[nH]1 ZINC000426534078 419501266 /nfs/dbraw/zinc/50/12/66/419501266.db2.gz QFNDWVWGCCWTRQ-CQSZACIVSA-N -1 0 302.334 1.296 50 0 DDAARM O=C([O-])Cn1ccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000426580743 419509698 /nfs/dbraw/zinc/50/96/98/419509698.db2.gz JWPHPZMYXUUDAS-CQSZACIVSA-N -1 0 300.362 1.742 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000299743805 229382390 /nfs/dbraw/zinc/38/23/90/229382390.db2.gz MJBPREVVTYIODA-QGZVFWFLSA-N -1 0 313.357 1.738 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000299741415 229376608 /nfs/dbraw/zinc/37/66/08/229376608.db2.gz FSJJNRFZTHYXPV-JOYOIKCWSA-N -1 0 320.370 1.423 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3ncccn3)n2)C1 ZINC000299744625 229383684 /nfs/dbraw/zinc/38/36/84/229383684.db2.gz PLZUVSZKQHHVSZ-AWEZNQCLSA-N -1 0 318.358 1.537 50 0 DDAARM COCCO[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000630301839 422009569 /nfs/dbraw/zinc/00/95/69/422009569.db2.gz QHXNKKDYBUFMGS-NSHDSACASA-N -1 0 311.309 1.401 50 0 DDAARM O=C([O-])c1cc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)ccc1O ZINC000585138215 422311500 /nfs/dbraw/zinc/31/15/00/422311500.db2.gz WEWVHPZPGZIRIE-MRVPVSSYSA-N -1 0 301.302 1.557 50 0 DDAARM O=C([O-])CN(C(=O)C[C@H]1OCc2ccccc21)C1CCOCC1 ZINC000655540500 424554040 /nfs/dbraw/zinc/55/40/40/424554040.db2.gz DINJFHYJNFDJNQ-OAHLLOKOSA-N -1 0 319.357 1.740 50 0 DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])o1 ZINC000316672100 271020130 /nfs/dbraw/zinc/02/01/30/271020130.db2.gz YEXJEZZYKUPLCB-CHCLEPACSA-N -1 0 305.330 1.728 50 0 DDAARM CC1CCN(c2ccc(NS(C)(=O)=O)cc2C(=O)[O-])CC1 ZINC000058013922 281838991 /nfs/dbraw/zinc/83/89/91/281838991.db2.gz UNAGXHWIWOSQHC-UHFFFAOYSA-N -1 0 312.391 1.993 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000238070613 281888358 /nfs/dbraw/zinc/88/83/58/281888358.db2.gz YODIQGZJNVXHNY-LBPRGKRZSA-N -1 0 314.341 1.394 50 0 DDAARM Cc1c2cccc(C)c2oc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262550003 301017714 /nfs/dbraw/zinc/01/77/14/301017714.db2.gz WUPVFKVBLATMLP-GFCCVEGCSA-N -1 0 303.314 1.975 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC000531753055 303255004 /nfs/dbraw/zinc/25/50/04/303255004.db2.gz UDRUTVGGZDWFMS-UPHRSURJSA-N -1 0 307.321 1.667 50 0 DDAARM O=C(CS(=O)(=O)c1ncc[n-]1)NC1(c2ccccc2)CCC1 ZINC000096475677 303636072 /nfs/dbraw/zinc/63/60/72/303636072.db2.gz WGBQGTRATGMWRG-UHFFFAOYSA-N -1 0 319.386 1.379 50 0 DDAARM O=S(=O)(CCc1ccc2c(c1)OC(F)(F)O2)c1ncc[n-]1 ZINC000585091621 483918922 /nfs/dbraw/zinc/91/89/22/483918922.db2.gz SXJKZNOKOARWEX-UHFFFAOYSA-N -1 0 316.285 1.748 50 0 DDAARM O=C([O-])C1(CNC(=O)C2CCC(F)(F)CC2)CCOCC1 ZINC000179234632 484111331 /nfs/dbraw/zinc/11/13/31/484111331.db2.gz ZGQBKESWZRMIMR-UHFFFAOYSA-N -1 0 305.321 1.810 50 0 DDAARM CCN(CC(=O)[O-])C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 ZINC000328594734 527929515 /nfs/dbraw/zinc/92/95/15/527929515.db2.gz APAWHGFXENKTAG-SNAWJCMRSA-N -1 0 321.329 1.413 50 0 DDAARM COc1ccc(Br)c(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000203653405 563822136 /nfs/dbraw/zinc/82/21/36/563822136.db2.gz XFBUTSBWTHTTIV-UHFFFAOYSA-N -1 0 314.135 1.805 50 0 DDAARM CN1N=C(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CCC1=O ZINC000322389959 698734518 /nfs/dbraw/zinc/73/45/18/698734518.db2.gz PWHPQBOLKXLDDN-NSHDSACASA-N -1 0 315.329 1.200 50 0 DDAARM C[C@H]1C(=O)N([N-]C(=O)c2cc(F)c(F)c(F)c2F)C(=O)N1C ZINC000585127544 771959689 /nfs/dbraw/zinc/95/96/89/771959689.db2.gz CUVBFJZIUBAJHS-BYPYZUCNSA-N -1 0 319.214 1.170 50 0 DDAARM CSCC[C@H](NC(=O)Nc1ccccc1F)c1nnn[n-]1 ZINC000952881876 775638471 /nfs/dbraw/zinc/63/84/71/775638471.db2.gz HOIDLMNZCGCIJJ-JTQLQIEISA-N -1 0 310.358 1.955 50 0 DDAARM CC(C)n1cnc2ccc(CNS(=O)(=O)c3ncc[n-]3)cc21 ZINC000952884092 775644717 /nfs/dbraw/zinc/64/47/17/775644717.db2.gz WQMBJNWEZANSRU-UHFFFAOYSA-N -1 0 319.390 1.819 50 0 DDAARM CCCn1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c(C)n1 ZINC000095509676 185375765 /nfs/dbraw/zinc/37/57/65/185375765.db2.gz YXQVUBREKVVJLL-CQSZACIVSA-N -1 0 316.361 1.422 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000006847395 190624327 /nfs/dbraw/zinc/62/43/27/190624327.db2.gz FJUQTIWEBLERLG-STQMWFEESA-N -1 0 317.341 1.741 50 0 DDAARM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)n(C)n1 ZINC000095399188 185353644 /nfs/dbraw/zinc/35/36/44/185353644.db2.gz JMBNZUVMFJLQPA-LBPRGKRZSA-N -1 0 305.309 1.813 50 0 DDAARM O=S(=O)([N-]c1ccnn1Cc1ccccn1)c1cccnc1 ZINC000095447405 185368004 /nfs/dbraw/zinc/36/80/04/185368004.db2.gz BWJWEXQADLOPHW-UHFFFAOYSA-N -1 0 315.358 1.522 50 0 DDAARM NC(=O)[C@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2ccc(Cl)cc21 ZINC000080357848 192151927 /nfs/dbraw/zinc/15/19/27/192151927.db2.gz JTLBHLHMNBXTSI-OLZOCXBDSA-N -1 0 321.764 1.897 50 0 DDAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@@H]1CCSC1 ZINC000152634234 186091811 /nfs/dbraw/zinc/09/18/11/186091811.db2.gz QHZNRQYFUITYAM-SECBINFHSA-N -1 0 321.427 1.789 50 0 DDAARM Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccon2)cc1C(=O)[O-] ZINC000225586987 186280500 /nfs/dbraw/zinc/28/05/00/186280500.db2.gz ZWYXAYVLWWXEQS-VIFPVBQESA-N -1 0 310.331 1.721 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000000613235 180828977 /nfs/dbraw/zinc/82/89/77/180828977.db2.gz VGQFZSDSNALZOP-UHFFFAOYSA-N -1 0 313.375 1.489 50 0 DDAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]n1cnnc1 ZINC000075279899 353357291 /nfs/dbraw/zinc/35/72/91/353357291.db2.gz KRKOWIZADNCOCX-UHFFFAOYSA-N -1 0 317.168 1.281 50 0 DDAARM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C)C(=O)[O-] ZINC000003407954 181015852 /nfs/dbraw/zinc/01/58/52/181015852.db2.gz MBVQFOUAWVGZHK-AAEUAGOBSA-N -1 0 324.377 1.650 50 0 DDAARM COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000003882481 181052123 /nfs/dbraw/zinc/05/21/23/181052123.db2.gz ROLKPLJIYRQHNY-OQMKEHIESA-N -1 0 301.298 1.066 50 0 biogenic DDAARM O=C([O-])c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O ZINC000004042339 181066151 /nfs/dbraw/zinc/06/61/51/181066151.db2.gz ZZKFZXZEBKGYEJ-UHFFFAOYSA-N -1 0 305.721 1.891 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCCC(=O)[O-] ZINC000004204331 181084779 /nfs/dbraw/zinc/08/47/79/181084779.db2.gz FXBPKENYOGLSOM-JTQLQIEISA-N -1 0 300.355 1.367 50 0 DDAARM C[C@H](CN(C)C(=O)[C@H]1Oc2ccccc2[C@@H]1C)c1nnn[n-]1 ZINC000156527991 354219580 /nfs/dbraw/zinc/21/95/80/354219580.db2.gz ITSDYFDKZXTEFM-NRUUGDAUSA-N -1 0 301.350 1.326 50 0 DDAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)c1cc2ccccc2o1 ZINC000005214031 181217923 /nfs/dbraw/zinc/21/79/23/181217923.db2.gz PNZLQCZKCXDXRJ-UHFFFAOYSA-N -1 0 303.299 1.179 50 0 DDAARM C[C@@H](Cc1ccccc1F)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237360650 202243267 /nfs/dbraw/zinc/24/32/67/202243267.db2.gz WRNOWCNKQRIEQW-AAEUAGOBSA-N -1 0 309.337 1.706 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc2c(c1)CCC=C2 ZINC000263482520 304085120 /nfs/dbraw/zinc/08/51/20/304085120.db2.gz AWJIWYDBDJOWTM-HNNXBMFYSA-N -1 0 301.342 1.962 50 0 DDAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NCc2ccco2)C1=O ZINC000006294244 181327324 /nfs/dbraw/zinc/32/73/24/181327324.db2.gz VUVFIAVVKNTITE-BENRWUELSA-N -1 0 305.334 1.522 50 0 DDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000006730637 181378501 /nfs/dbraw/zinc/37/85/01/181378501.db2.gz NVDPFFGOYWAQBW-UONOGXRCSA-N -1 0 317.389 1.621 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C\c1cc2ccccc2o1 ZINC000492144069 304134392 /nfs/dbraw/zinc/13/43/92/304134392.db2.gz YTFPDKXEYDMLEB-SZZPACECSA-N -1 0 301.298 1.758 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1SCCc2ccccc21 ZINC000299747135 304135156 /nfs/dbraw/zinc/13/51/56/304135156.db2.gz CATDSYDTKMAILM-QWHCGFSZSA-N -1 0 307.371 1.329 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000263269087 304135459 /nfs/dbraw/zinc/13/54/59/304135459.db2.gz LPPOWJNZVPEGCD-KEYYUXOJSA-N -1 0 301.342 1.203 50 0 DDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CN(C)Cc2ccccn2)C1 ZINC000252483239 202842075 /nfs/dbraw/zinc/84/20/75/202842075.db2.gz DXWTXIAMOZGLQV-KRWDZBQOSA-N -1 0 319.405 1.617 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COC[C@@H]1CCCO1 ZINC000299752664 304143670 /nfs/dbraw/zinc/14/36/70/304143670.db2.gz UXEWCIGSMZAZPF-FQUUOJAGSA-N -1 0 311.378 1.426 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnn2c1CCC2 ZINC000263222865 304144679 /nfs/dbraw/zinc/14/46/79/304144679.db2.gz ZFHJOGAXIZLXDU-SUHUHFCYSA-N -1 0 303.362 1.687 50 0 DDAARM CC(C)Cn1cnc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000261748558 203108054 /nfs/dbraw/zinc/10/80/54/203108054.db2.gz VXMSHJNVUBGHAZ-UHFFFAOYSA-N -1 0 315.395 1.024 50 0 DDAARM CC(C)c1ncncc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262696232 203383404 /nfs/dbraw/zinc/38/34/04/203383404.db2.gz DSQQBEYLEXIKRO-UHFFFAOYSA-N -1 0 317.349 1.869 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000262662846 203371476 /nfs/dbraw/zinc/37/14/76/203371476.db2.gz UTQRGCXUSJHVLW-KGLIPLIRSA-N -1 0 316.357 1.128 50 0 DDAARM O=C([O-])c1ccc(NC2=CC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000011613101 181695199 /nfs/dbraw/zinc/69/51/99/181695199.db2.gz ZYCUNEGPWUEPKL-UHFFFAOYSA-N -1 0 312.281 1.843 50 0 DDAARM C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)[O-] ZINC000012381020 181753602 /nfs/dbraw/zinc/75/36/02/181753602.db2.gz YKCHBOMSVGFEOO-FJUNDMEASA-N -1 0 318.285 1.233 50 0 DDAARM C[C@@H](C(=O)[O-])S(=O)(=O)Cc1ccc(Br)cc1 ZINC000019519522 182127186 /nfs/dbraw/zinc/12/71/86/182127186.db2.gz RZRPIXOYOQYLCN-ZETCQYMHSA-N -1 0 307.165 1.837 50 0 DDAARM COc1cc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)ccc1O ZINC000019962513 182170595 /nfs/dbraw/zinc/17/05/95/182170595.db2.gz LIUGCFGVAQSTOG-JTQLQIEISA-N -1 0 302.290 1.284 50 0 DDAARM COC(=O)CC(=Nc1ccccc1C(=O)[O-])C(=O)NC(C)C ZINC000021946166 182299857 /nfs/dbraw/zinc/29/98/57/182299857.db2.gz GOKIKEZTGJAFFU-WQLSENKSSA-N -1 0 306.318 1.378 50 0 DDAARM CN(C)C(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000027057805 182461261 /nfs/dbraw/zinc/46/12/61/182461261.db2.gz NXOPAYXVNLDBCQ-RYUDHWBXSA-N -1 0 316.357 1.994 50 0 DDAARM Cc1nn(C[C@H]2N[C@@H](C(=O)[O-])CS2)c(C)c1Br ZINC000034926134 182744404 /nfs/dbraw/zinc/74/44/04/182744404.db2.gz ZAYBVFKJMUWNCU-SFYZADRCSA-N -1 0 320.212 1.378 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc2ccccc2n1 ZINC000096133033 304205224 /nfs/dbraw/zinc/20/52/24/304205224.db2.gz PWPOTGBABAFLQF-OAHLLOKOSA-N -1 0 322.324 1.610 50 0 DDAARM CS(=O)(=O)[N-]C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000042279679 183249794 /nfs/dbraw/zinc/24/97/94/183249794.db2.gz YOJLCCXQKNOSNP-UHFFFAOYSA-N -1 0 305.739 1.191 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@H]2COc3ccccc3C2)CCSC1 ZINC000043508923 183367968 /nfs/dbraw/zinc/36/79/68/183367968.db2.gz KDBHRYOBJLXMKI-ABAIWWIYSA-N -1 0 307.371 1.314 50 0 DDAARM O=C([O-])[C@]12CCC(=O)N1c1ccccc1-c1nc(C3CC3)nn12 ZINC000408525847 304214699 /nfs/dbraw/zinc/21/46/99/304214699.db2.gz YHDGIYKHVRUGDP-MRXNPFEDSA-N -1 0 310.313 1.700 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCc3cccc(F)c32)c[nH]1 ZINC000071853520 304227054 /nfs/dbraw/zinc/22/70/54/304227054.db2.gz JCSUXGOLZCMUKU-UHFFFAOYSA-N -1 0 324.333 1.994 50 0 DDAARM CC(C)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268880392 207052298 /nfs/dbraw/zinc/05/22/98/207052298.db2.gz CUJMLPADMOAOQV-ZOWXZIJZSA-N -1 0 319.357 1.992 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)CCO1 ZINC000269048494 207198450 /nfs/dbraw/zinc/19/84/50/207198450.db2.gz UMGUEVPHYYGRTJ-FXMSTWTQSA-N -1 0 319.313 1.131 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]c2cccn3cnnc23)ccc1F ZINC000065228764 184316062 /nfs/dbraw/zinc/31/60/62/184316062.db2.gz DKIHELGYKKQGBQ-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM COc1ccc2c(c1)CCN2S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000065552703 184364928 /nfs/dbraw/zinc/36/49/28/184364928.db2.gz QNUGSMGPHOFTCC-UHFFFAOYSA-N -1 0 322.342 1.473 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cc1 ZINC000237981786 304234272 /nfs/dbraw/zinc/23/42/72/304234272.db2.gz FITPVZZRQFRYLG-OAHLLOKOSA-N -1 0 324.336 1.698 50 0 DDAARM CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299752853 285102464 /nfs/dbraw/zinc/10/24/64/285102464.db2.gz VTDUHGFRLZWLQD-RYUDHWBXSA-N -1 0 307.346 1.773 50 0 DDAARM O=C([O-])C1(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000154881501 197001631 /nfs/dbraw/zinc/00/16/31/197001631.db2.gz CQXNARYAKBMFHG-SNVBAGLBSA-N -1 0 322.748 1.426 50 0 DDAARM O=C([O-])C1(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)CC1 ZINC000154824097 196996233 /nfs/dbraw/zinc/99/62/33/196996233.db2.gz BBOJBZYDUVBIGE-UHFFFAOYSA-N -1 0 322.386 1.334 50 0 DDAARM COC(=O)c1c(C)[nH]nc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000071288719 291993494 /nfs/dbraw/zinc/99/34/94/291993494.db2.gz KEAPZTKWLINQAT-UHFFFAOYSA-N -1 0 317.301 1.384 50 0 DDAARM O=C([O-])c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000000051846 406615555 /nfs/dbraw/zinc/61/55/55/406615555.db2.gz SISBPNXTPKWKMB-UHFFFAOYSA-N -1 0 302.311 1.946 50 0 DDAARM COc1ccc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1OC ZINC000001060879 406662520 /nfs/dbraw/zinc/66/25/20/406662520.db2.gz NXUJBKNZBPNQHM-CHWSQXEVSA-N -1 0 319.357 1.987 50 0 DDAARM CCn1nc(C(=O)[N-]C2=NCCS2)c2ccccc2c1=O ZINC000002626093 406693806 /nfs/dbraw/zinc/69/38/06/406693806.db2.gz IQEPXEFPEIYIJA-UHFFFAOYSA-N -1 0 302.359 1.249 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1 ZINC000002790387 406701381 /nfs/dbraw/zinc/70/13/81/406701381.db2.gz OTQDIFKTLGLVCR-UHFFFAOYSA-N -1 0 319.342 1.159 50 0 DDAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cn2cccnc2n1 ZINC000069737558 406762425 /nfs/dbraw/zinc/76/24/25/406762425.db2.gz UWKKSGFZACWTGH-UHFFFAOYSA-N -1 0 322.284 1.325 50 0 DDAARM CCOc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2CCOC)cc1 ZINC000069737468 406762826 /nfs/dbraw/zinc/76/28/26/406762826.db2.gz OWEDEBNTWXEUMC-DZGCQCFKSA-N -1 0 307.346 1.706 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCCc2ccccc21)c1ccoc1 ZINC000069745108 406768649 /nfs/dbraw/zinc/76/86/49/406768649.db2.gz QQQSXBNBFVPBDJ-UHFFFAOYSA-N -1 0 306.343 1.707 50 0 DDAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000008569856 406790412 /nfs/dbraw/zinc/79/04/12/406790412.db2.gz NBRGDDVSPPXIBE-CYBMUJFWSA-N -1 0 302.330 1.115 50 0 DDAARM Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000008873555 406797161 /nfs/dbraw/zinc/79/71/61/406797161.db2.gz RPZOCZJKTZOSID-LLVKDONJSA-N -1 0 307.737 1.938 50 0 DDAARM O=C(Nc1nnn[n-]1)c1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000072291701 406879170 /nfs/dbraw/zinc/87/91/70/406879170.db2.gz KRWUSNNFDIADHJ-UHFFFAOYSA-N -1 0 323.238 1.657 50 0 DDAARM COc1ccc2[nH]c(C(=O)NCCCC(=O)[O-])cc2c1OC ZINC000035686343 406974592 /nfs/dbraw/zinc/97/45/92/406974592.db2.gz XHNYRWPLZWQHLO-UHFFFAOYSA-N -1 0 306.318 1.780 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2ccccn2)[C@@H](C(=O)[O-])C1 ZINC000074941216 406918979 /nfs/dbraw/zinc/91/89/79/406918979.db2.gz TYXQKQMFQGUHLW-LLVKDONJSA-N -1 0 307.350 1.592 50 0 DDAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000033400735 406960572 /nfs/dbraw/zinc/96/05/72/406960572.db2.gz KMBFDSIWSFCRKM-VVEJJEBESA-N -1 0 311.359 1.242 50 0 DDAARM [O-]c1c([C@H](c2ccccc2)N2CCOCC2)sc2ncnn12 ZINC000033384228 406960932 /nfs/dbraw/zinc/96/09/32/406960932.db2.gz FYFIVJPFVRDBNE-LBPRGKRZSA-N -1 0 316.386 1.918 50 0 DDAARM CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N(C)CCCC(=O)[O-] ZINC000078714163 407042526 /nfs/dbraw/zinc/04/25/26/407042526.db2.gz NPIMSABBDNUDNS-OAHLLOKOSA-N -1 0 320.389 1.764 50 0 DDAARM C[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(Br)cc1 ZINC000036966857 406985394 /nfs/dbraw/zinc/98/53/94/406985394.db2.gz OAXWHHMCNXFYLQ-QMMMGPOBSA-N -1 0 300.152 1.971 50 0 DDAARM Cc1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000037430631 406989980 /nfs/dbraw/zinc/98/99/80/406989980.db2.gz FIYGBFCFMCAOHL-ZDUSSCGKSA-N -1 0 304.371 1.806 50 0 DDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccn2)c1 ZINC000048325463 407094592 /nfs/dbraw/zinc/09/45/92/407094592.db2.gz AHDDDQZVYVJQLW-UHFFFAOYSA-N -1 0 306.343 1.833 50 0 DDAARM CC1=NN(c2ccc(C(=O)/N=c3\[n-]nc4ccccn43)cc2)CC1 ZINC000049681142 407123935 /nfs/dbraw/zinc/12/39/35/407123935.db2.gz ZWQQOSCWCREHIP-UHFFFAOYSA-N -1 0 320.356 1.990 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc3cc(F)ccc3s2)CCO1 ZINC000049864789 407125668 /nfs/dbraw/zinc/12/56/68/407125668.db2.gz QLFFSIYQKKHNDD-SNVBAGLBSA-N -1 0 309.318 1.966 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)Cc2ccc(F)c(F)c2)CCSC1 ZINC000095046833 407204658 /nfs/dbraw/zinc/20/46/58/407204658.db2.gz AKCQRNJZEPJYAZ-CYBMUJFWSA-N -1 0 301.314 1.584 50 0 DDAARM CCOc1cccc(CNC(=O)CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000095971725 407218956 /nfs/dbraw/zinc/21/89/56/407218956.db2.gz QMNGTGODNBLPLQ-CQSZACIVSA-N -1 0 306.362 1.251 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000096479523 407270450 /nfs/dbraw/zinc/27/04/50/407270450.db2.gz VUKYUNVTTIGEJQ-NSHDSACASA-N -1 0 317.320 1.948 50 0 DDAARM Cc1cccc2c1CCN2C(=O)c1c[n-]c2c(cnn2C)c1=O ZINC000097080377 407278363 /nfs/dbraw/zinc/27/83/63/407278363.db2.gz JVAFWMBWZFZEMK-UHFFFAOYSA-N -1 0 308.341 1.773 50 0 DDAARM CNc1ccc(C)cc1C(=O)N[C@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067868339 407288116 /nfs/dbraw/zinc/28/81/16/407288116.db2.gz ZZWLIFOTPNJANP-AWEZNQCLSA-N -1 0 316.361 1.932 50 0 DDAARM NC(=O)C1(NS(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000124640213 407364827 /nfs/dbraw/zinc/36/48/27/407364827.db2.gz WDKBZGMWPJPTJV-UHFFFAOYSA-N -1 0 315.203 1.351 50 0 DDAARM Cc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]nc1-c1ccccc1 ZINC000257198233 407490971 /nfs/dbraw/zinc/49/09/71/407490971.db2.gz WVMFJMNBMNWIKW-LBPRGKRZSA-N -1 0 315.329 1.311 50 0 DDAARM COc1ccc(Cl)cc1C(=O)NCCc1nc([O-])cc(=O)[nH]1 ZINC000219874340 407534480 /nfs/dbraw/zinc/53/44/80/407534480.db2.gz KJIGPCUVOSNFJH-UHFFFAOYSA-N -1 0 323.736 1.522 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cnc3ccnn3c2)cc1 ZINC000225575690 407597707 /nfs/dbraw/zinc/59/77/07/407597707.db2.gz GRNPOVWLICPDHU-UHFFFAOYSA-N -1 0 304.331 1.539 50 0 DDAARM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000226687308 407620251 /nfs/dbraw/zinc/62/02/51/407620251.db2.gz NJXBIDPJCJBEMD-UHFFFAOYSA-N -1 0 321.358 1.007 50 0 DDAARM Cc1ccc(OCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000261987023 407702816 /nfs/dbraw/zinc/70/28/16/407702816.db2.gz SKBJJXREEKRPPI-CQSZACIVSA-N -1 0 307.346 1.384 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000236688817 407751874 /nfs/dbraw/zinc/75/18/74/407751874.db2.gz ORFFNGJQHQMHNQ-WMLDXEAASA-N -1 0 318.373 1.577 50 0 DDAARM CCc1ccc(C(=O)N2CC[NH+](CCCC(=O)[O-])CC2)cc1 ZINC000116344112 407745914 /nfs/dbraw/zinc/74/59/14/407745914.db2.gz ZHBMLTXXLMYUBV-UHFFFAOYSA-N -1 0 304.390 1.872 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000236719363 407762062 /nfs/dbraw/zinc/76/20/62/407762062.db2.gz KHTGCKVQPLTRJE-ZIAGYGMSSA-N -1 0 304.346 1.187 50 0 DDAARM CC(C)C[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000236760460 407769502 /nfs/dbraw/zinc/76/95/02/407769502.db2.gz BJIBAHCFJCZDMQ-ZDUSSCGKSA-N -1 0 320.393 1.309 50 0 DDAARM Cn1cc(C(=O)N2C[C@@H](C(=O)[O-])C[C@@H](c3ccccc3)C2)cn1 ZINC000180348536 407878731 /nfs/dbraw/zinc/87/87/31/407878731.db2.gz RMLHBRFDYWZWOQ-KGLIPLIRSA-N -1 0 313.357 1.751 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c1 ZINC000238203967 407899252 /nfs/dbraw/zinc/89/92/52/407899252.db2.gz PFJASFBEPQTUJP-HNNXBMFYSA-N -1 0 324.336 1.698 50 0 DDAARM COCc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000262858665 407958453 /nfs/dbraw/zinc/95/84/53/407958453.db2.gz VBIWRXGWGCQMMJ-UONOGXRCSA-N -1 0 307.346 1.443 50 0 DDAARM C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000154119471 407975198 /nfs/dbraw/zinc/97/51/98/407975198.db2.gz UTJHFWWWOKXLDB-WPRPVWTQSA-N -1 0 308.359 1.338 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)c2cnn3c2CCCC3)s1 ZINC000263146676 408038162 /nfs/dbraw/zinc/03/81/62/408038162.db2.gz HCZQJDKUAPEKTH-UHFFFAOYSA-N -1 0 305.359 1.909 50 0 DDAARM Cc1cccc([C@@H](NC(=O)C2=NN(C)C(=O)CC2)C(=O)[O-])c1C ZINC000263020734 408003206 /nfs/dbraw/zinc/00/32/06/408003206.db2.gz MDQULEAIJSWSML-CQSZACIVSA-N -1 0 317.345 1.154 50 0 DDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cccc(OC(C)C)n2)C1 ZINC000263024904 408003217 /nfs/dbraw/zinc/00/32/17/408003217.db2.gz MIYPJDDMCFEEQG-NEPJUHHUSA-N -1 0 322.361 1.573 50 0 DDAARM C/N=C1/S[C@@H](CC(=O)[O-])C(=O)N1c1cc([N+](=O)[O-])ccc1C ZINC000136732294 408122710 /nfs/dbraw/zinc/12/27/10/408122710.db2.gz APELAFTUWRUMFN-NJERVBSYSA-N -1 0 323.330 1.812 50 0 DDAARM Cc1cc(C)cc(C(=O)NCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000263465582 408146329 /nfs/dbraw/zinc/14/63/29/408146329.db2.gz WOMANFUZLIFOOK-CQSZACIVSA-N -1 0 318.373 1.499 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CN2C(=O)CSc3ccccc32)C1 ZINC000269170832 408229387 /nfs/dbraw/zinc/22/93/87/408229387.db2.gz HTTOJKWGWGXVAS-JTQLQIEISA-N -1 0 320.370 1.058 50 0 DDAARM CC(C)[C@@H](NS(=O)(=O)c1ccc2ncccc2c1)C(=O)[O-] ZINC000261615511 163671621 /nfs/dbraw/zinc/67/16/21/163671621.db2.gz AVCSTULTSFNWOA-CYBMUJFWSA-N -1 0 308.359 1.622 50 0 DDAARM O=C([O-])C[C@@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000299799756 410638650 /nfs/dbraw/zinc/63/86/50/410638650.db2.gz ZWQLBYVGSWNJRL-GOSISDBHSA-N -1 0 324.336 1.753 50 0 DDAARM CCC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000408517446 418806969 /nfs/dbraw/zinc/80/69/69/418806969.db2.gz JGUOBLMRQLFFOM-BQBZGAKWSA-N -1 0 320.233 1.997 50 0 DDAARM Cc1cccc(CN2CCN(C(=O)NCCC(=O)[O-])CC2)c1 ZINC000426506574 419495910 /nfs/dbraw/zinc/49/59/10/419495910.db2.gz HFODQMBRZYJFCL-UHFFFAOYSA-N -1 0 305.378 1.297 50 0 DDAARM CC(C)c1csc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1 ZINC000426529414 419499512 /nfs/dbraw/zinc/49/95/12/419499512.db2.gz PYVVPJFHEWDSQK-VIFPVBQESA-N -1 0 308.363 1.415 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCn2ccccc2=O)c2ccccc21 ZINC000299742766 229380256 /nfs/dbraw/zinc/38/02/56/229380256.db2.gz KEOXDCKRSKKBTQ-ZDUSSCGKSA-N -1 0 312.325 1.453 50 0 DDAARM Cc1ccc(C)c(OCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000299742746 229378897 /nfs/dbraw/zinc/37/88/97/229378897.db2.gz KCFBUNDBYNPDGV-AWEZNQCLSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCO1 ZINC000299750370 229392748 /nfs/dbraw/zinc/39/27/48/229392748.db2.gz NGYGCROSNWFYMM-AVGNSLFASA-N -1 0 309.749 1.756 50 0 DDAARM COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000000207899 295156458 /nfs/dbraw/zinc/15/64/58/295156458.db2.gz SMLSGZWTQNCHJF-LMOYCYGVSA-N -1 0 301.298 1.066 50 0 biogenic DDAARM Cc1cc(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])c(C)s1 ZINC000072148371 301388028 /nfs/dbraw/zinc/38/80/28/301388028.db2.gz YSVCUXOMSVZGFS-JTQLQIEISA-N -1 0 319.404 1.229 50 0 DDAARM Cc1noc(C)c1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000262393412 302839179 /nfs/dbraw/zinc/83/91/79/302839179.db2.gz BNCUCSJKXQZGGC-HNNXBMFYSA-N -1 0 314.341 1.872 50 0 DDAARM COc1ccccc1CC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000532004912 303269557 /nfs/dbraw/zinc/26/95/57/303269557.db2.gz RIWMTCDSIBXMSB-UHFFFAOYSA-N -1 0 307.346 1.330 50 0 DDAARM NC(=O)c1ccsc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017056015 303350525 /nfs/dbraw/zinc/35/05/25/303350525.db2.gz VFBOXGLFJANVJU-BRDNZBMFSA-N -1 0 322.386 1.923 50 0 DDAARM CCCC[C@H]1C(=O)N(C)CCN1Cc1ccc(O)c(C(=O)[O-])c1 ZINC000077340922 483961864 /nfs/dbraw/zinc/96/18/64/483961864.db2.gz DAQDRJKIEZGAKQ-AWEZNQCLSA-N -1 0 320.389 1.923 50 0 DDAARM C[C@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1ccnn1C ZINC000663140198 484697982 /nfs/dbraw/zinc/69/79/82/484697982.db2.gz BIRVYRCUIALGJS-MEDUHNTESA-N -1 0 301.346 1.640 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)COCCOc2ccccc2)C1 ZINC000299742517 534519996 /nfs/dbraw/zinc/51/99/96/534519996.db2.gz JTGDGFHSNPCRMO-CYBMUJFWSA-N -1 0 307.346 1.405 50 0 DDAARM CC(C)S(=O)(=O)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299751634 528294041 /nfs/dbraw/zinc/29/40/41/528294041.db2.gz RBWHFRSOYFWSKM-WOPDTQHZSA-N -1 0 317.407 1.054 50 0 DDAARM CC(C)(NC(=O)N=c1nc2n([n-]1)CCCC2)c1nccs1 ZINC000333629689 535224274 /nfs/dbraw/zinc/22/42/74/535224274.db2.gz HKGBAUNQXJHEHE-UHFFFAOYSA-N -1 0 306.395 1.550 50 0 DDAARM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](CC(=O)[O-])c2ccccc21 ZINC000169990566 563902437 /nfs/dbraw/zinc/90/24/37/563902437.db2.gz QTYLYUZIGAJTFY-JTQLQIEISA-N -1 0 321.358 1.485 50 0 DDAARM COCCC1(C(=O)[O-])CCN(c2ncnc3[nH]ccc32)CC1 ZINC000071416011 696392295 /nfs/dbraw/zinc/39/22/95/696392295.db2.gz ZENQAURROXQYEV-UHFFFAOYSA-N -1 0 304.350 1.666 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cccnc2C(F)(F)F)CCO1 ZINC000190975088 697599423 /nfs/dbraw/zinc/59/94/23/697599423.db2.gz SPUXWMLQRYGWAO-MRVPVSSYSA-N -1 0 304.224 1.026 50 0 DDAARM Cc1c(/C=C\C(=O)[N-]S(=O)(=O)[C@H](C)CC(C)C)cnn1C ZINC000221982104 697756162 /nfs/dbraw/zinc/75/61/62/697756162.db2.gz HFFJQCBLWWNJAW-JMEBYUIHSA-N -1 0 313.423 1.622 50 0 DDAARM CC(C)C[C@H](CNC(=O)Cn1nnc2c1CCCC2)CC(=O)[O-] ZINC000863982009 706049967 /nfs/dbraw/zinc/04/99/67/706049967.db2.gz YULXQBLRJVVALW-LBPRGKRZSA-N -1 0 322.409 1.410 50 0 DDAARM C[S@@](=O)(=NS(=O)(=O)[N-]CC(F)(F)F)c1ccccc1 ZINC000864095704 706066551 /nfs/dbraw/zinc/06/65/51/706066551.db2.gz XHWCWTRMVPKAHN-SFHVURJKSA-N -1 0 316.326 1.540 50 0 DDAARM CCO[C@@H]1C[C@@H](NC(=O)c2ccsc2CC(=O)[O-])[C@H]1OC ZINC000888097228 709212567 /nfs/dbraw/zinc/21/25/67/709212567.db2.gz FPIJRKWAWULNBK-GIPNMCIBSA-N -1 0 313.375 1.297 50 0 DDAARM CC(C)n1cc(S(=O)(=O)[N-]c2cnc3n[nH]cc3c2)cn1 ZINC000952993380 721534402 /nfs/dbraw/zinc/53/44/02/721534402.db2.gz XCWRBHDAKNBMDK-UHFFFAOYSA-N -1 0 306.351 1.536 50 0 DDAARM O=C([O-])CNC(=O)NCCCc1nc2cc(Cl)ccc2[nH]1 ZINC000828018517 759450167 /nfs/dbraw/zinc/45/01/67/759450167.db2.gz CSPQEYYTLSFJQD-UHFFFAOYSA-N -1 0 310.741 1.533 50 0 DDAARM Cc1nc(/C=C\C(=O)N(CC(=O)[O-])C2CCOCC2)cs1 ZINC000584907996 771884293 /nfs/dbraw/zinc/88/42/93/771884293.db2.gz GVOLTLGDDMSBGO-IHWYPQMZSA-N -1 0 310.375 1.557 50 0 DDAARM O=c1[n-]c([C@@H]2CCCN(c3ncnc4ccc(F)cc43)C2)n[nH]1 ZINC000585080950 771928223 /nfs/dbraw/zinc/92/82/23/771928223.db2.gz DPGJVJVBBVMKNR-SECBINFHSA-N -1 0 314.324 1.977 50 0 DDAARM CC1(C)[C@]2(C)CC[C@@]1(C(=O)[O-])C(=NNC(=O)c1ccco1)C2=O ZINC000252383386 539274589 /nfs/dbraw/zinc/27/45/89/539274589.db2.gz RXGOJSWRTDCFNS-CVEARBPZSA-N -1 0 318.329 1.845 50 0 DDAARM CC[C@@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000299276390 529670959 /nfs/dbraw/zinc/67/09/59/529670959.db2.gz RDIGDAQGCBIYLK-ZIAGYGMSSA-N -1 0 307.346 1.837 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)CCc1cccs1 ZINC000092777910 185340112 /nfs/dbraw/zinc/34/01/12/185340112.db2.gz HDMFBEOECDSHMX-GFCCVEGCSA-N -1 0 305.359 1.442 50 0 DDAARM C[C@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1n[nH]c(=O)[n-]1 ZINC000072148658 191054082 /nfs/dbraw/zinc/05/40/82/191054082.db2.gz ULVCXAIKAHCQHC-ZETCQYMHSA-N -1 0 316.369 1.245 50 0 DDAARM C[C@H]1CN(C(=O)Cn2ncc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000262860414 186314888 /nfs/dbraw/zinc/31/48/88/186314888.db2.gz FIDBHOKXPABSHF-AAEUAGOBSA-N -1 0 301.346 1.606 50 0 DDAARM CCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)[nH]n1 ZINC000262902827 186322237 /nfs/dbraw/zinc/32/22/37/186322237.db2.gz DAWQXYJSOHPWIW-AWEZNQCLSA-N -1 0 315.329 1.463 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCc1nc(-c2cccnc2)no1 ZINC000072401726 191151220 /nfs/dbraw/zinc/15/12/20/191151220.db2.gz FNOAIABCVNCUHA-QWRGUYRKSA-N -1 0 316.317 1.105 50 0 DDAARM CC(C)[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000000518940 180810842 /nfs/dbraw/zinc/81/08/42/180810842.db2.gz XWIKLCBUBMKYRT-OAHLLOKOSA-N -1 0 319.313 1.397 50 0 biogenic DDAARM COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c(OC)c1 ZINC000002406467 180923267 /nfs/dbraw/zinc/92/32/67/180923267.db2.gz WPTIPNFSJICZEU-VZUCSPMQSA-N -1 0 323.326 1.825 50 0 DDAARM CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2C)[nH]n1 ZINC000079106533 353549980 /nfs/dbraw/zinc/54/99/80/353549980.db2.gz AUAQAWKXHRDEMU-UHFFFAOYSA-N -1 0 323.374 1.868 50 0 DDAARM CC(C)(CC(=O)N[C@H]1CCN(c2ncccc2F)C1)C(=O)[O-] ZINC000236796313 202014268 /nfs/dbraw/zinc/01/42/68/202014268.db2.gz JHDYMUXRMYZBGA-JTQLQIEISA-N -1 0 309.341 1.417 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2cnn(C)c2C)cc1OC ZINC000004594436 181128871 /nfs/dbraw/zinc/12/88/71/181128871.db2.gz GBISQSGMTIKIRF-UHFFFAOYSA-N -1 0 311.363 1.547 50 0 DDAARM O=C(c1ccccc1)N1C=C([O-])c2ccccc2S1(=O)=O ZINC000005274920 181226022 /nfs/dbraw/zinc/22/60/22/181226022.db2.gz KDMLRFKQTNXLBP-UHFFFAOYSA-N -1 0 301.323 1.714 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)nn1C ZINC000236881530 202049079 /nfs/dbraw/zinc/04/90/79/202049079.db2.gz GCUHGXJHNDXYOV-GFCCVEGCSA-N -1 0 323.393 1.639 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000178263330 198839323 /nfs/dbraw/zinc/83/93/23/198839323.db2.gz WCIPWECEKXRSQP-SNVBAGLBSA-N -1 0 303.293 1.558 50 0 DDAARM Cc1cc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)oc2cc1C ZINC000237904995 202386549 /nfs/dbraw/zinc/38/65/49/202386549.db2.gz QUYQBFRLBMNJCD-CQSZACIVSA-N -1 0 303.314 1.975 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000238063388 202432567 /nfs/dbraw/zinc/43/25/67/202432567.db2.gz AILOSVSSSGKQCD-OCCSQVGLSA-N -1 0 316.357 1.653 50 0 DDAARM COc1cccc(CS(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000240613717 202458403 /nfs/dbraw/zinc/45/84/03/202458403.db2.gz AAGUZTUIRIQLSK-LBPRGKRZSA-N -1 0 301.364 1.224 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ncn(-c2ccccc2)n1 ZINC000262960697 304118740 /nfs/dbraw/zinc/11/87/40/304118740.db2.gz RQQGGAUZDCSQMB-NEPJUHHUSA-N -1 0 300.318 1.250 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000091619937 193079178 /nfs/dbraw/zinc/07/91/78/193079178.db2.gz KEVBAVNSBWQLNT-INIZCTEOSA-N -1 0 321.377 1.397 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCn1ccccc1=O ZINC000299744709 304143616 /nfs/dbraw/zinc/14/36/16/304143616.db2.gz ULUHRWDPPCPJEH-MJBXVCDLSA-N -1 0 318.373 1.483 50 0 DDAARM COc1cccc(OC)c1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000262403982 203284639 /nfs/dbraw/zinc/28/46/39/203284639.db2.gz KKJXUVMUMHZJHL-LLVKDONJSA-N -1 0 317.363 1.091 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COCC(F)(F)F ZINC000268885403 304151879 /nfs/dbraw/zinc/15/18/79/304151879.db2.gz BNPMXQXUCPKKSU-NSHDSACASA-N -1 0 317.263 1.603 50 0 DDAARM C[C@@H](NC(=O)c1ccc(NC(=O)[C@@]2(C)CCCO2)cc1)C(=O)[O-] ZINC000262818057 203408865 /nfs/dbraw/zinc/40/88/65/203408865.db2.gz AHJUADACDCJPEI-QLJPJBMISA-N -1 0 320.345 1.397 50 0 DDAARM Cc1nc(-c2ccccc2)oc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262761617 203399855 /nfs/dbraw/zinc/39/98/55/203399855.db2.gz KVJIGQVIZCCHAI-LBPRGKRZSA-N -1 0 316.313 1.576 50 0 DDAARM C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccccn1 ZINC000013072090 181826717 /nfs/dbraw/zinc/82/67/17/181826717.db2.gz YRLICTHLTUGAKL-VIFPVBQESA-N -1 0 324.333 1.958 50 0 DDAARM Cc1cc(=O)[nH]c(-n2cc(C(=O)c3cc(F)ccc3[O-])cn2)n1 ZINC000015980601 182028065 /nfs/dbraw/zinc/02/80/65/182028065.db2.gz YROSRLSNXGNUCQ-UHFFFAOYSA-N -1 0 314.276 1.340 50 0 DDAARM CN(C)C(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000159887882 197370911 /nfs/dbraw/zinc/37/09/11/197370911.db2.gz QFCWSXFQIMCCRM-ZDUSSCGKSA-N -1 0 304.346 1.468 50 0 DDAARM CCn1cc([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2)cn1 ZINC000024577230 182384191 /nfs/dbraw/zinc/38/41/91/182384191.db2.gz IRIDUOPZFCYDCS-UHFFFAOYSA-N -1 0 309.347 1.490 50 0 DDAARM CCCCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675114 193834239 /nfs/dbraw/zinc/83/42/39/193834239.db2.gz WBVUOIXBEYYHID-GFCCVEGCSA-N -1 0 315.333 1.835 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCO1 ZINC000299750414 304197977 /nfs/dbraw/zinc/19/79/77/304197977.db2.gz NKWRNCRCMVTTAM-OLZOCXBDSA-N -1 0 307.371 1.329 50 0 DDAARM O=C([O-])Cn1ccc2c(nnc3c(-c4ccccc4)cnn32)c1=O ZINC000040388218 183059965 /nfs/dbraw/zinc/05/99/65/183059965.db2.gz DKLVIMGYKOCVDA-UHFFFAOYSA-N -1 0 321.296 1.191 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@H]2OCCc3ccccc32)CCSC1 ZINC000043511129 304214098 /nfs/dbraw/zinc/21/40/98/304214098.db2.gz ATTKFHVKHXEYHH-WFASDCNBSA-N -1 0 307.371 1.377 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000268874117 207044266 /nfs/dbraw/zinc/04/42/66/207044266.db2.gz AIAUJIIZWREAFG-NXEZZACHSA-N -1 0 321.720 1.727 50 0 DDAARM COc1ccc(-n2ccc(CNC(=O)[C@H]3C[C@@H]3C(=O)[O-])n2)cc1 ZINC000268925398 207090618 /nfs/dbraw/zinc/09/06/18/207090618.db2.gz VNXUABDQZBTFIX-KBPBESRZSA-N -1 0 315.329 1.218 50 0 DDAARM C[C@@H](OCc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000268932527 207097270 /nfs/dbraw/zinc/09/72/70/207097270.db2.gz AUJMVVXFIFPGCO-OCCSQVGLSA-N -1 0 307.346 1.294 50 0 DDAARM C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000268938299 207104003 /nfs/dbraw/zinc/10/40/03/207104003.db2.gz QDWQBIKVUFLHNU-YMTOWFKASA-N -1 0 317.301 1.135 50 0 DDAARM COCCOc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000268958432 207123353 /nfs/dbraw/zinc/12/33/53/207123353.db2.gz ZRZVHLWGZPVCBZ-UHFFFAOYSA-N -1 0 307.346 1.649 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(CCC(=O)Nc2cc(F)ccc2F)C1 ZINC000065394893 184334340 /nfs/dbraw/zinc/33/43/40/184334340.db2.gz ZBVHRNMGBAVINA-MRVPVSSYSA-N -1 0 312.272 1.227 50 0 DDAARM CC(C)C(=O)Nc1cc(N2C[C@H](C(=O)[O-])CC2=O)ccc1F ZINC000065373692 184330897 /nfs/dbraw/zinc/33/08/97/184330897.db2.gz XTJSHZFVBGAXLO-SECBINFHSA-N -1 0 308.309 1.858 50 0 DDAARM CN(C)S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000120321045 195142206 /nfs/dbraw/zinc/14/22/06/195142206.db2.gz WOBWRGWPTNPPIW-UHFFFAOYSA-N -1 0 312.269 1.622 50 0 DDAARM O=C([O-])c1cnc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1 ZINC000263241683 304275359 /nfs/dbraw/zinc/27/53/59/304275359.db2.gz FFYAHJJDFXCMSM-SSDOTTSWSA-N -1 0 303.240 1.589 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCc1c[nH]c2ccccc12 ZINC000268982696 257237997 /nfs/dbraw/zinc/23/79/97/257237997.db2.gz OCUGDBWKFZCIRC-HNNXBMFYSA-N -1 0 316.357 1.803 50 0 DDAARM C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)CS2 ZINC000261657108 407568277 /nfs/dbraw/zinc/56/82/77/407568277.db2.gz KERSXGJPQZBVMO-XHDPSFHLSA-N -1 0 320.370 1.777 50 0 DDAARM COC(=O)Cc1nc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])sc1C ZINC000000117985 406624490 /nfs/dbraw/zinc/62/44/90/406624490.db2.gz RLOIEFASBYYMOH-HTQZYQBOSA-N -1 0 312.347 1.216 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000000186508 406630085 /nfs/dbraw/zinc/63/00/85/406630085.db2.gz VBVOTZYKYYEEMQ-LBPRGKRZSA-N -1 0 301.364 1.473 50 0 DDAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000001689941 406675426 /nfs/dbraw/zinc/67/54/26/406675426.db2.gz ZIFOWKKZIWXFJO-UHFFFAOYSA-N -1 0 313.379 1.433 50 0 DDAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccco2)CC1 ZINC000002527338 406690366 /nfs/dbraw/zinc/69/03/66/406690366.db2.gz ITLDLSSPUNZCOX-LBPRGKRZSA-N -1 0 310.350 1.958 50 0 DDAARM CCOC(=O)c1ccc2nc(CCC(=O)[O-])c(=O)n(CC)c2c1 ZINC000003268069 406715753 /nfs/dbraw/zinc/71/57/53/406715753.db2.gz RMSGKZWAJGWCSV-UHFFFAOYSA-N -1 0 318.329 1.610 50 0 DDAARM Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSCC(=O)[O-] ZINC000012788805 406852244 /nfs/dbraw/zinc/85/22/44/406852244.db2.gz AWUFXAHGWKHBGB-UHFFFAOYSA-N -1 0 324.402 1.518 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)s1 ZINC000013849668 406868439 /nfs/dbraw/zinc/86/84/39/406868439.db2.gz AQDCTQZJIRVMLX-UHFFFAOYSA-N -1 0 310.400 1.885 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1ccccc1I ZINC000016134037 406882343 /nfs/dbraw/zinc/88/23/43/406882343.db2.gz QMTLXDOIPAELJA-AATRIKPKSA-N -1 0 317.082 1.871 50 0 DDAARM CC(=O)N[C@H](CCCCNC(=S)Nc1ccccc1)C(=O)[O-] ZINC000012379478 406844384 /nfs/dbraw/zinc/84/43/84/406844384.db2.gz XPWAMLXGDACRMA-CYBMUJFWSA-N -1 0 323.418 1.733 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000034926332 406965489 /nfs/dbraw/zinc/96/54/89/406965489.db2.gz RHQLLBUXAVBDGH-KBPBESRZSA-N -1 0 320.364 1.831 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000035206660 406969909 /nfs/dbraw/zinc/96/99/09/406969909.db2.gz KVMIOASBXJPIAN-UHFFFAOYSA-N -1 0 317.172 1.836 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000036293854 406978328 /nfs/dbraw/zinc/97/83/28/406978328.db2.gz JSCJJJQGBXDCBO-JTQLQIEISA-N -1 0 307.368 1.310 50 0 DDAARM O=C1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2F)CN1C1CC1 ZINC000075161563 406926065 /nfs/dbraw/zinc/92/60/65/406926065.db2.gz XYRHMSRPNQVXAW-QMMMGPOBSA-N -1 0 316.329 1.006 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000049548398 407122494 /nfs/dbraw/zinc/12/24/94/407122494.db2.gz SEAFFYSOKRKJIE-YGRLFVJLSA-N -1 0 317.345 1.012 50 0 DDAARM CCCCNC(=O)CN(C)[C@H](C(=O)[O-])c1cc(C)ccc1OC ZINC000055343665 407201826 /nfs/dbraw/zinc/20/18/26/407201826.db2.gz MJCDTIQSIVRONY-INIZCTEOSA-N -1 0 322.405 1.977 50 0 DDAARM CC(C)CN1C[C@H](C(=O)NC2(C(=O)[O-])CCCCC2)CC1=O ZINC000095349562 407207006 /nfs/dbraw/zinc/20/70/06/407207006.db2.gz JIBSBUZIUCNOIZ-GFCCVEGCSA-N -1 0 310.394 1.395 50 0 DDAARM COc1cc(F)ccc1[C@H](C(=O)[O-])N(C)Cc1nnc(C)o1 ZINC000095353096 407207786 /nfs/dbraw/zinc/20/77/86/407207786.db2.gz AWWMSTGOQBNZGI-CYBMUJFWSA-N -1 0 309.297 1.783 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000095969483 407218582 /nfs/dbraw/zinc/21/85/82/407218582.db2.gz FSAWUMKLGODKBN-LLVKDONJSA-N -1 0 317.320 1.948 50 0 DDAARM COc1cc(/C=C2\NC(=O)[N-]C2=O)c(Br)cc1O ZINC000096006174 407222543 /nfs/dbraw/zinc/22/25/43/407222543.db2.gz OKZCVBVFQBIMBC-UQCOIBPSSA-N -1 0 313.107 1.344 50 0 DDAARM CO[N-]C(=O)[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000068063720 407294731 /nfs/dbraw/zinc/29/47/31/407294731.db2.gz SUCYELISNDVTMA-GFCCVEGCSA-N -1 0 305.359 1.361 50 0 DDAARM O=C([O-])Cn1nc(C2CCCC2)nc1CCCc1cn[nH]c1 ZINC000097638089 407301255 /nfs/dbraw/zinc/30/12/55/407301255.db2.gz VFGCIYGOVQJSBH-UHFFFAOYSA-N -1 0 303.366 1.919 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCc2cnc(C)cn2)c1 ZINC000097729735 407302391 /nfs/dbraw/zinc/30/23/91/407302391.db2.gz BYEPRBJLOKKIGK-UHFFFAOYSA-N -1 0 301.302 1.422 50 0 DDAARM Cn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21 ZINC000100705208 407308205 /nfs/dbraw/zinc/30/82/05/407308205.db2.gz ATHHWTUOHYVOSR-UHFFFAOYSA-N -1 0 301.327 1.953 50 0 DDAARM CC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000170609461 407453898 /nfs/dbraw/zinc/45/38/98/407453898.db2.gz SILVYNQKKGXWPV-UHFFFAOYSA-N -1 0 318.782 1.440 50 0 DDAARM O=C(CCc1cc(=O)[n-]o1)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000223759956 407571734 /nfs/dbraw/zinc/57/17/34/407571734.db2.gz KUKORQJIYPHOBH-USBNGQNGSA-N -1 0 317.345 1.336 50 0 DDAARM CCC(CC)n1nccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000236733775 407764753 /nfs/dbraw/zinc/76/47/53/407764753.db2.gz IGDIVAXGKLZTGY-LBPRGKRZSA-N -1 0 309.366 1.560 50 0 DDAARM CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000236760142 407769360 /nfs/dbraw/zinc/76/93/60/407769360.db2.gz KUYLHUCJPYQVED-UHFFFAOYSA-N -1 0 324.402 1.777 50 0 DDAARM O=C([O-])c1ccc(NS(=O)(=O)C[C@H]2CCCCO2)c(F)c1 ZINC000267270927 407813515 /nfs/dbraw/zinc/81/35/15/407813515.db2.gz SDTLVCIJYNUOLQ-SNVBAGLBSA-N -1 0 317.338 1.835 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000238085949 407887831 /nfs/dbraw/zinc/88/78/31/407887831.db2.gz SZJNCWXLQXOPHN-CYBMUJFWSA-N -1 0 303.293 1.701 50 0 DDAARM O=C([O-])CN(C(=O)Cc1cc(F)ccc1F)C1CCOCC1 ZINC000238099273 407890137 /nfs/dbraw/zinc/89/01/37/407890137.db2.gz CDYXFAJYBJWWMP-UHFFFAOYSA-N -1 0 313.300 1.600 50 0 DDAARM O=C([O-])C1(NC(=O)CCNC(=O)c2ccc(F)cc2)CCCC1 ZINC000244858518 407942006 /nfs/dbraw/zinc/94/20/06/407942006.db2.gz VMQDUJPTXCQQPN-UHFFFAOYSA-N -1 0 322.336 1.459 50 0 DDAARM COc1cc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000263247613 408073839 /nfs/dbraw/zinc/07/38/39/408073839.db2.gz DGBLLJPBPWOKBN-CQSZACIVSA-N -1 0 307.346 1.712 50 0 DDAARM Cc1cnccc1CCNC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263353181 408115866 /nfs/dbraw/zinc/11/58/66/408115866.db2.gz QGTGCNBVGNXIOH-SMDDNHRTSA-N -1 0 305.378 1.685 50 0 DDAARM COc1cc(C)c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1OC ZINC000263542627 408167870 /nfs/dbraw/zinc/16/78/70/408167870.db2.gz RRQOPGWJJIHDBS-HNNXBMFYSA-N -1 0 311.309 1.651 50 0 DDAARM COc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1OC(C)C ZINC000268967732 408223116 /nfs/dbraw/zinc/22/31/16/408223116.db2.gz DUOATXNWXHWVBP-LBPRGKRZSA-N -1 0 323.345 1.408 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c(F)c1 ZINC000252482949 408796761 /nfs/dbraw/zinc/79/67/61/408796761.db2.gz DQYCVUYZOYBNEK-UHFFFAOYSA-N -1 0 324.333 1.734 50 0 DDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cccc3c2CCC3)C1 ZINC000263147454 163921882 /nfs/dbraw/zinc/92/18/82/163921882.db2.gz UORIXKLFXPUKTK-STQMWFEESA-N -1 0 303.358 1.880 50 0 DDAARM CCO[C@@H]1C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@@H]2C(=O)[O-])CC1 ZINC000263171527 163925324 /nfs/dbraw/zinc/92/53/24/163925324.db2.gz KQLMAVHSLQRMQQ-DGAVXFQQSA-N -1 0 311.378 1.140 50 0 DDAARM Cc1[nH]c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2c1C ZINC000299744175 410604382 /nfs/dbraw/zinc/60/43/82/410604382.db2.gz RHLORIWRCPAFJU-AWEZNQCLSA-N -1 0 302.330 1.710 50 0 DDAARM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])CC2)n1C(F)F ZINC000299760315 410608020 /nfs/dbraw/zinc/60/80/20/410608020.db2.gz FLSOYELEGXLWCA-UHFFFAOYSA-N -1 0 315.320 1.424 50 0 DDAARM COc1ccc([C@@]2(CC(=O)[O-])CC(=O)N(C3CC3)C2=O)cc1 ZINC000299781509 410624722 /nfs/dbraw/zinc/62/47/22/410624722.db2.gz UJIIFMYUNGSWHO-INIZCTEOSA-N -1 0 303.314 1.329 50 0 DDAARM COC(=O)C1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCC1 ZINC000132749651 196280874 /nfs/dbraw/zinc/28/08/74/196280874.db2.gz NCUXSHNHUSWBRN-UHFFFAOYSA-N -1 0 306.343 1.942 50 0 DDAARM O=C(CCc1ccccc1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990562 418495737 /nfs/dbraw/zinc/49/57/37/418495737.db2.gz BCQJCXAOIWAXPR-UHFFFAOYSA-N -1 0 322.368 1.540 50 0 DDAARM Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])C2)n1 ZINC000253388862 222249488 /nfs/dbraw/zinc/24/94/88/222249488.db2.gz JSKLBSBDTASBPH-FRRDWIJNSA-N -1 0 319.361 1.751 50 0 DDAARM CCCCOCC(=O)N1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426566865 419510246 /nfs/dbraw/zinc/51/02/46/419510246.db2.gz IWFAHQQGECQTFP-CYBMUJFWSA-N -1 0 323.393 1.490 50 0 DDAARM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000299747125 229389601 /nfs/dbraw/zinc/38/96/01/229389601.db2.gz CAARBRWYKILPRY-IWSPIJDZSA-N -1 0 308.359 1.185 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000299746838 229390154 /nfs/dbraw/zinc/39/01/54/229390154.db2.gz BHMVEUVZDUGWFB-RBSFLKMASA-N -1 0 321.348 1.818 50 0 DDAARM Cn1ncc(Cl)c1C(=O)NC[C@](C)(C(=O)[O-])c1ccccc1 ZINC000573340297 421950641 /nfs/dbraw/zinc/95/06/41/421950641.db2.gz QRJSWUDAMKGGNT-HNNXBMFYSA-N -1 0 321.764 1.846 50 0 DDAARM CC(C)(C)N1C[C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000243013712 263598405 /nfs/dbraw/zinc/59/84/05/263598405.db2.gz HXLYPWWBCZSLQJ-CYBMUJFWSA-N -1 0 318.373 1.648 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000071284469 281435465 /nfs/dbraw/zinc/43/54/65/281435465.db2.gz ZAIOFDPMSKXRFI-VXGBXAGGSA-N -1 0 304.302 1.962 50 0 DDAARM CN1C(=O)COc2ccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)cc21 ZINC000071285466 289817075 /nfs/dbraw/zinc/81/70/75/289817075.db2.gz ZEYDBAFKDFMGGB-OLZOCXBDSA-N -1 0 318.329 1.337 50 0 DDAARM COc1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])ccc1F ZINC000262408205 295014957 /nfs/dbraw/zinc/01/49/57/295014957.db2.gz OXKBKAMMQPPTDT-NSHDSACASA-N -1 0 317.338 1.462 50 0 DDAARM COc1ncccc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237121512 295464574 /nfs/dbraw/zinc/46/45/74/295464574.db2.gz XWDPVNUTSFKXCS-AWEZNQCLSA-N -1 0 312.325 1.742 50 0 DDAARM C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000013073707 300287218 /nfs/dbraw/zinc/28/72/18/300287218.db2.gz WDMONYUVESKOBB-IUCAKERBSA-N -1 0 317.338 1.322 50 0 DDAARM C[C@@H](CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299747798 533715146 /nfs/dbraw/zinc/71/51/46/533715146.db2.gz FCJQLEKBDJUIIP-CABZTGNLSA-N -1 0 322.386 1.669 50 0 DDAARM COc1c([N-]S(=O)(=O)c2c(F)cccc2F)c(C)nn1C ZINC000096407106 337381869 /nfs/dbraw/zinc/38/18/69/337381869.db2.gz NJSAIGROYAVNAV-UHFFFAOYSA-N -1 0 317.317 1.816 50 0 DDAARM NC(=O)C1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCCCC1 ZINC000663087664 484656119 /nfs/dbraw/zinc/65/61/19/484656119.db2.gz BCFGIUSAVBZUSW-UHFFFAOYSA-N -1 0 320.345 1.068 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1ccc(N2CCCC2)nn1)C(=O)[O-] ZINC000156139758 519245809 /nfs/dbraw/zinc/24/58/09/519245809.db2.gz KRAOCLKRRFKMLW-GFCCVEGCSA-N -1 0 306.366 1.306 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000299750390 534525535 /nfs/dbraw/zinc/52/55/35/534525535.db2.gz NIFFXXVCXRIMMD-MDZLAQPJSA-N -1 0 309.749 1.756 50 0 DDAARM CCOc1cccc2c1OC[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC000299740886 528698221 /nfs/dbraw/zinc/69/82/21/528698221.db2.gz BZHHUBJXQUJUSU-OLZOCXBDSA-N -1 0 319.357 1.712 50 0 DDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000170067928 545647748 /nfs/dbraw/zinc/64/77/48/545647748.db2.gz GCXJWZZXJUJZRN-GXSJLCMTSA-N -1 0 318.308 1.390 50 0 DDAARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c(OC)c1 ZINC000048520709 696213434 /nfs/dbraw/zinc/21/34/34/696213434.db2.gz OGBAFEPEXYKLNH-WRLNGNIRSA-N -1 0 316.309 1.932 50 0 DDAARM COCc1nc(C2CC2)[n-]c(=O)c1I ZINC000085449282 696563684 /nfs/dbraw/zinc/56/36/84/696563684.db2.gz FXQUVAUSBICYLM-UHFFFAOYSA-N -1 0 306.103 1.398 50 0 DDAARM CC1(C)CN(C(=O)c2nn(-c3ccc(F)cc3)cc2[O-])CCO1 ZINC000177056361 697408792 /nfs/dbraw/zinc/40/87/92/697408792.db2.gz GPCZZTDQOWFCJM-UHFFFAOYSA-N -1 0 319.336 1.968 50 0 DDAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000208488148 697749704 /nfs/dbraw/zinc/74/97/04/697749704.db2.gz PARGZCYEIOTURK-WWQCOOJYSA-N -1 0 311.769 1.718 50 0 DDAARM CCC[C@H](NC(=O)N(C)Cc1nc2ccccc2n1C)C(=O)[O-] ZINC000822778888 758236124 /nfs/dbraw/zinc/23/61/24/758236124.db2.gz OERZWENIGDMTBO-LBPRGKRZSA-N -1 0 318.377 1.968 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCn2cccn2)C1 ZINC000219571520 771932368 /nfs/dbraw/zinc/93/23/68/771932368.db2.gz HIYPZKUPYAFGRO-INIZCTEOSA-N -1 0 323.393 1.393 50 0 DDAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H](C)n2cccn2)c1OC ZINC000262564696 539275731 /nfs/dbraw/zinc/27/57/31/539275731.db2.gz ZSBOXZQOUJZJNV-SECBINFHSA-N -1 0 319.317 1.798 50 0 DDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1nccs1)CC2 ZINC000095391584 185351521 /nfs/dbraw/zinc/35/15/21/185351521.db2.gz MGRPTLQJEOZAFQ-SNVBAGLBSA-N -1 0 309.391 1.041 50 0 DDAARM C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(OCC2CC2)c(F)c1 ZINC000095413214 185358056 /nfs/dbraw/zinc/35/80/56/185358056.db2.gz XFTFMNSQPLBFCV-QMMMGPOBSA-N -1 0 320.324 1.517 50 0 DDAARM C[C@@H](NC(=O)c1cn(C)nc1-c1ccc(F)cc1F)C(=O)[O-] ZINC000095425149 185361627 /nfs/dbraw/zinc/36/16/27/185361627.db2.gz RPFVPOKXUIQXAD-SSDOTTSWSA-N -1 0 309.272 1.568 50 0 DDAARM Cc1cc(NS(=O)(=O)C[C@H]2CCCO2)c(C(=O)[O-])cc1C ZINC000279982264 215288998 /nfs/dbraw/zinc/28/89/98/215288998.db2.gz QALFSBVZDGDBHI-LLVKDONJSA-N -1 0 313.375 1.922 50 0 DDAARM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262858650 186314771 /nfs/dbraw/zinc/31/47/71/186314771.db2.gz VBDREGZNLNLEHF-WDEREUQCSA-N -1 0 320.345 1.446 50 0 DDAARM COC(=O)c1cc(C)sc1NC(=O)c1nccnc1C(=O)[O-] ZINC000072401762 191150618 /nfs/dbraw/zinc/15/06/18/191150618.db2.gz RAOPLFOZUDRTRX-UHFFFAOYSA-N -1 0 321.314 1.584 50 0 DDAARM Cc1noc(C)c1C(=O)N1CCC(C(=O)[O-])(n2ccnc2)CC1 ZINC000072477863 191180252 /nfs/dbraw/zinc/18/02/52/191180252.db2.gz JEOVSJMNSYPWPI-UHFFFAOYSA-N -1 0 318.333 1.204 50 0 DDAARM CCOC(=O)CC[P@@](=O)([O-])[C@@H](O)c1ccc(OC)cc1 ZINC000001760843 180894805 /nfs/dbraw/zinc/89/48/05/180894805.db2.gz UBLKNYQHNUDMSJ-CYBMUJFWSA-N -1 0 302.263 1.910 50 0 DDAARM C[C@@H](NC(=O)CCCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075252279 353356458 /nfs/dbraw/zinc/35/64/58/353356458.db2.gz HNURXPFJBXGPDQ-SECBINFHSA-N -1 0 323.305 1.293 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cn1 ZINC000078982726 353544611 /nfs/dbraw/zinc/54/46/11/353544611.db2.gz UPHQOKZWEYXEQW-UHFFFAOYSA-N -1 0 306.347 1.106 50 0 DDAARM O=C(Nc1cc(CCc2ccccc2)ccn1)c1n[nH]c(=O)[n-]1 ZINC000079023050 353546912 /nfs/dbraw/zinc/54/69/12/353546912.db2.gz AKSTYBCJPOLMPQ-UHFFFAOYSA-N -1 0 309.329 1.943 50 0 DDAARM CCOC(=O)C(=CNNc1ccccc1C(=O)[O-])C(=O)OCC ZINC000004207183 181085292 /nfs/dbraw/zinc/08/52/92/181085292.db2.gz XAELKFLKABPRSY-UHFFFAOYSA-N -1 0 322.317 1.311 50 0 DDAARM CC[C@@H](CCC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000004311811 181095815 /nfs/dbraw/zinc/09/58/15/181095815.db2.gz MOAARJNOMGZHCN-VIFPVBQESA-N -1 0 314.363 1.164 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000158497915 354230399 /nfs/dbraw/zinc/23/03/99/354230399.db2.gz YPERUAKYDVUJGN-UONOGXRCSA-N -1 0 320.320 1.784 50 0 DDAARM O=C([O-])/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1 ZINC000004689254 181136949 /nfs/dbraw/zinc/13/69/49/181136949.db2.gz OUVFCIAFBSVLQC-CMDGGOBGSA-N -1 0 307.327 1.856 50 0 DDAARM Cn1c(SCCCc2nn[nH]n2)nnc1-c1cccs1 ZINC000585139926 354814099 /nfs/dbraw/zinc/81/40/99/354814099.db2.gz TXMOFEHBQSFKFM-UHFFFAOYSA-N -1 0 307.408 1.782 50 0 DDAARM CCn1cnnc1CNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000585142501 354815677 /nfs/dbraw/zinc/81/56/77/354815677.db2.gz XILVPUCPMUGQLX-UHFFFAOYSA-N -1 0 316.770 1.136 50 0 DDAARM COc1ccc(Cc2n[n-]c(NCc3cccnc3)nc2=O)cc1 ZINC000005154624 181211091 /nfs/dbraw/zinc/21/10/91/181211091.db2.gz FZCSCFQHZWEBFI-UHFFFAOYSA-N -1 0 323.356 1.771 50 0 DDAARM O=C([O-])CNC(=O)c1ccc(I)cc1 ZINC000002002621 304069598 /nfs/dbraw/zinc/06/95/98/304069598.db2.gz DVALMHFCJYLXPH-UHFFFAOYSA-N -1 0 305.071 1.106 50 0 DDAARM C[C@@]1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000237537599 202274671 /nfs/dbraw/zinc/27/46/71/202274671.db2.gz RTBFQSBVTCVPDU-RHSMWYFYSA-N -1 0 303.358 1.593 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)[O-])cs2)cn1 ZINC000237715761 202336141 /nfs/dbraw/zinc/33/61/41/202336141.db2.gz DYAOJWFMWFFKRQ-JTQLQIEISA-N -1 0 306.347 1.233 50 0 DDAARM Cc1csc(=O)n1CCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237805491 202359207 /nfs/dbraw/zinc/35/92/07/202359207.db2.gz FHDLXNPXEFVLNZ-UHFFFAOYSA-N -1 0 320.370 1.874 50 0 DDAARM O=C([O-])C1(NC(=O)Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000237935320 202397259 /nfs/dbraw/zinc/39/72/59/202397259.db2.gz KXMVJVVZZOCRAG-UHFFFAOYSA-N -1 0 304.277 1.757 50 0 DDAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000237908152 202388434 /nfs/dbraw/zinc/38/84/34/202388434.db2.gz WNVHAWWBCDRFLH-QJPTWQEYSA-N -1 0 309.387 1.862 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000237962420 202405504 /nfs/dbraw/zinc/40/55/04/202405504.db2.gz UDVHWIFHSLIMDM-NSHDSACASA-N -1 0 317.263 1.560 50 0 DDAARM CCc1cccc(CC)c1N(COC)C(=O)CS(=O)(=O)[O-] ZINC000005956564 181300486 /nfs/dbraw/zinc/30/04/86/181300486.db2.gz UTCJUUGCHWHUNI-UHFFFAOYSA-N -1 0 315.391 1.636 50 0 in-vitro DDAARM CCN1C[C@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CC1=O ZINC000193457989 201055591 /nfs/dbraw/zinc/05/55/91/201055591.db2.gz YZEGVLDXKOHGLY-ZIAGYGMSSA-N -1 0 318.373 1.577 50 0 DDAARM C[C@@H](NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)[O-] ZINC000262432945 203293144 /nfs/dbraw/zinc/29/31/44/203293144.db2.gz KHAGXEHWZBWLDE-SSDOTTSWSA-N -1 0 311.725 1.073 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cc(F)cc(Br)c1 ZINC000262395147 203282957 /nfs/dbraw/zinc/28/29/57/203282957.db2.gz AXJOXBSKEYKKFB-VHSXEESVSA-N -1 0 316.126 1.925 50 0 DDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)COCC(F)(F)F ZINC000262498970 203310648 /nfs/dbraw/zinc/31/06/48/203310648.db2.gz LTSCPHMSTRZLIY-LBPRGKRZSA-N -1 0 317.263 1.776 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@@H]2CCOc3ccccc32)CCSC1 ZINC000111185479 304164327 /nfs/dbraw/zinc/16/43/27/304164327.db2.gz RHGROOYNUNPUAN-IAQYHMDHSA-N -1 0 307.371 1.629 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000013427179 181848942 /nfs/dbraw/zinc/84/89/42/181848942.db2.gz BYGYYWWTYMQTPN-CYBMUJFWSA-N -1 0 316.313 1.742 50 0 DDAARM CCOc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000015879950 182024063 /nfs/dbraw/zinc/02/40/63/182024063.db2.gz OPLARKHGENFVHA-UHFFFAOYSA-N -1 0 306.347 1.707 50 0 DDAARM Cc1cc(C(F)(F)F)nn1CCCNC(=O)CCCC(=O)[O-] ZINC000017055663 182072559 /nfs/dbraw/zinc/07/25/59/182072559.db2.gz FHIWDCIMODKAGM-UHFFFAOYSA-N -1 0 321.299 1.972 50 0 DDAARM O=c1c2ccccc2[n-]c(=S)n1CCCN1CCOCC1 ZINC000019229975 182109271 /nfs/dbraw/zinc/10/92/71/182109271.db2.gz WGDJVNHECFFQHH-UHFFFAOYSA-N -1 0 305.403 1.781 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000020614446 182238827 /nfs/dbraw/zinc/23/88/27/182238827.db2.gz ZKTSBKTUXOQCSJ-UHFFFAOYSA-N -1 0 314.345 1.081 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000037518406 182903457 /nfs/dbraw/zinc/90/34/57/182903457.db2.gz CQMYIZIZBACJQZ-ZJUUUORDSA-N -1 0 303.236 1.922 50 0 DDAARM Cc1ccc(C(=O)N[C@H](C(=O)[O-])C(=O)Nc2ccccc2)cc1 ZINC000041154940 183178371 /nfs/dbraw/zinc/17/83/71/183178371.db2.gz LLCASKSWZORWBH-AWEZNQCLSA-N -1 0 312.325 1.817 50 0 DDAARM COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268915607 207083829 /nfs/dbraw/zinc/08/38/29/207083829.db2.gz POHNSZQKJXUCNI-NEPJUHHUSA-N -1 0 321.329 1.111 50 0 DDAARM COc1ccc(-n2ccc(CNC(=O)[C@@H]3C[C@H]3C(=O)[O-])n2)cc1 ZINC000268925401 207091350 /nfs/dbraw/zinc/09/13/50/207091350.db2.gz VNXUABDQZBTFIX-ZIAGYGMSSA-N -1 0 315.329 1.218 50 0 DDAARM CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000058355813 184107874 /nfs/dbraw/zinc/10/78/74/184107874.db2.gz JRAXPXPYBLFZJJ-NSHDSACASA-N -1 0 306.318 1.088 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccc3c(c2)CCO3)CCO1 ZINC000269031621 207181994 /nfs/dbraw/zinc/18/19/94/207181994.db2.gz MSOFPLWCXXVPKY-KWEXDPCDSA-N -1 0 317.341 1.337 50 0 DDAARM COc1cccc(NC(=O)c2c([O-])c3cccnc3[nH]c2=O)c1 ZINC000065249529 184318557 /nfs/dbraw/zinc/31/85/57/184318557.db2.gz XSACEUNYKLBPHG-UHFFFAOYSA-N -1 0 311.297 1.890 50 0 DDAARM C[C@@H](Cc1cnccn1)Nc1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065452958 184346813 /nfs/dbraw/zinc/34/68/13/184346813.db2.gz YPXFXZYTVHGAPB-VIFPVBQESA-N -1 0 324.344 1.743 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(-c2cccnc2)on1 ZINC000158498249 197278561 /nfs/dbraw/zinc/27/85/61/197278561.db2.gz ZZYXKSKWMHQXNI-GFCCVEGCSA-N -1 0 301.302 1.816 50 0 DDAARM CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1Cl ZINC000016489814 256526984 /nfs/dbraw/zinc/52/69/84/256526984.db2.gz TXMHLIGTCIWMSN-ZETCQYMHSA-N -1 0 307.755 1.490 50 0 DDAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000002172620 221449305 /nfs/dbraw/zinc/44/93/05/221449305.db2.gz MWOJWUBBCZRMTB-ZDUSSCGKSA-N -1 0 308.334 1.138 50 0 DDAARM Cc1c(NC(=O)/C=C/C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000000061926 406619073 /nfs/dbraw/zinc/61/90/73/406619073.db2.gz OOPQDRYQEAEXEW-CMDGGOBGSA-N -1 0 301.302 1.064 50 0 DDAARM COc1cc(C=O)ccc1OC(=O)C[C@H]1SC(=O)[N-]C1=O ZINC000001146163 406665483 /nfs/dbraw/zinc/66/54/83/406665483.db2.gz IKPLJOVMBUSYKY-SNVBAGLBSA-N -1 0 309.299 1.155 50 0 DDAARM CCC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001576000 406673030 /nfs/dbraw/zinc/67/30/30/406673030.db2.gz JOFRPFCSEYMUTH-LBPRGKRZSA-N -1 0 308.334 1.282 50 0 DDAARM CC(C)[C@@H](NC(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001640107 406675965 /nfs/dbraw/zinc/67/59/65/406675965.db2.gz XFMVOOGGOCFBNM-CQSZACIVSA-N -1 0 322.361 1.528 50 0 DDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000002385529 406687502 /nfs/dbraw/zinc/68/75/02/406687502.db2.gz OJOCXVKXBATIDB-LLVKDONJSA-N -1 0 308.334 1.306 50 0 DDAARM Cn1ncc2c1ncc(C(=O)[O-])c2NCCCn1ccnc1 ZINC000002510552 406689214 /nfs/dbraw/zinc/68/92/14/406689214.db2.gz QELZZNZBXAUJTF-UHFFFAOYSA-N -1 0 300.322 1.365 50 0 DDAARM COc1cccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])c1 ZINC000002710421 406695440 /nfs/dbraw/zinc/69/54/40/406695440.db2.gz VHNOYTKZQSLVBB-CQSZACIVSA-N -1 0 318.329 1.860 50 0 DDAARM COc1cc2[n-]c(O)c(C(=O)NC(C)C)c(=O)c2cc1OC ZINC000008994886 406800064 /nfs/dbraw/zinc/80/00/64/406800064.db2.gz OIELNZAWGPHMFX-UHFFFAOYSA-N -1 0 306.318 1.389 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000071286456 406837206 /nfs/dbraw/zinc/83/72/06/406837206.db2.gz HCZIXSADBLNRLE-UWVGGRQHSA-N -1 0 300.318 1.767 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000071286308 406837887 /nfs/dbraw/zinc/83/78/87/406837887.db2.gz HTLGGZBODHPFSC-NEPJUHHUSA-N -1 0 304.302 1.962 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)no1 ZINC000012446716 406845796 /nfs/dbraw/zinc/84/57/96/406845796.db2.gz UOZPBUJPTPZCSP-QMMMGPOBSA-N -1 0 323.330 1.503 50 0 DDAARM O=C([O-])CCSCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000012788855 406853075 /nfs/dbraw/zinc/85/30/75/406853075.db2.gz QOVIAFAEJYGSJU-UHFFFAOYSA-N -1 0 322.386 1.725 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CCCO2)cc1OC ZINC000013183647 406859544 /nfs/dbraw/zinc/85/95/44/406859544.db2.gz AGWCQUPBPBZIFK-DGCLKSJQSA-N -1 0 323.345 1.515 50 0 DDAARM COc1ccc2sc(C(=O)NCc3n[nH]c(=O)[n-]3)c(C)c2c1 ZINC000075093061 406922058 /nfs/dbraw/zinc/92/20/58/406922058.db2.gz JTGZMXUZORRBQX-UHFFFAOYSA-N -1 0 318.358 1.560 50 0 DDAARM COCCCn1c2nc(C)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617313 406980779 /nfs/dbraw/zinc/98/07/79/406980779.db2.gz ZOFASCHIRUZIAZ-UHFFFAOYSA-N -1 0 309.347 1.497 50 0 DDAARM C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000040544933 407003835 /nfs/dbraw/zinc/00/38/35/407003835.db2.gz OSZKNEFTQGUAIA-JTQLQIEISA-N -1 0 311.769 1.645 50 0 DDAARM Cc1nnc(CNC(=O)c2csc([N-]c3ncccn3)n2)o1 ZINC000049032254 407112402 /nfs/dbraw/zinc/11/24/02/407112402.db2.gz NFMOBQVRQADFST-UHFFFAOYSA-N -1 0 317.334 1.298 50 0 DDAARM Cc1ccc2nc(C)c(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc2c1 ZINC000055254358 407199764 /nfs/dbraw/zinc/19/97/64/407199764.db2.gz VHGIMSYOVGOHDM-YGRLFVJLSA-N -1 0 302.330 1.415 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1[nH]nc2ccccc21 ZINC000095947860 407216389 /nfs/dbraw/zinc/21/63/89/407216389.db2.gz VDYJOWBWLQRKRA-CQSZACIVSA-N -1 0 309.325 1.989 50 0 DDAARM Cc1cc(N)nc(SCC(=O)[N-]OCc2ccccc2)n1 ZINC000060710198 407225665 /nfs/dbraw/zinc/22/56/65/407225665.db2.gz OHKHKFQJJFBNSK-UHFFFAOYSA-N -1 0 304.375 1.707 50 0 DDAARM CSCCc1nc(CCc2c(C)noc2C)n(CC(=O)[O-])n1 ZINC000097505630 407299221 /nfs/dbraw/zinc/29/92/21/407299221.db2.gz DNGJRMOWZCPBKB-UHFFFAOYSA-N -1 0 324.406 1.658 50 0 DDAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1-c1nc2ccccc2[nH]1 ZINC000097521942 407299517 /nfs/dbraw/zinc/29/95/17/407299517.db2.gz IPGKLPDHLADEPD-SECBINFHSA-N -1 0 313.317 1.410 50 0 DDAARM CCN(CC)c1ncc(Cl)c(C(=O)N[C@@H](C)CC(=O)[O-])n1 ZINC000170672121 407471444 /nfs/dbraw/zinc/47/14/44/407471444.db2.gz GKHVYNTYXONWOD-QMMMGPOBSA-N -1 0 314.773 1.569 50 0 DDAARM CC(C)NC(=O)CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170632288 407460001 /nfs/dbraw/zinc/46/00/01/407460001.db2.gz BDQDJXWZKYGKEL-UHFFFAOYSA-N -1 0 307.375 1.761 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000238064591 407879807 /nfs/dbraw/zinc/87/98/07/407879807.db2.gz QLFJCLWEABHFIL-VIFPVBQESA-N -1 0 321.358 1.806 50 0 DDAARM CC(C)Oc1cccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)n1 ZINC000262837129 407953829 /nfs/dbraw/zinc/95/38/29/407953829.db2.gz RSJSUDIFSXKQGY-FZMZJTMJSA-N -1 0 322.361 1.478 50 0 DDAARM COc1nc(C)ccc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262851170 407954871 /nfs/dbraw/zinc/95/48/71/407954871.db2.gz DPNRHCYPCMDMTL-GMXVVIOVSA-N -1 0 304.346 1.724 50 0 DDAARM Cc1ccc(C(C)C)c(OCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262908773 407965629 /nfs/dbraw/zinc/96/56/29/407965629.db2.gz CJHZIDGVWYBTTQ-HNNXBMFYSA-N -1 0 321.373 1.809 50 0 DDAARM C[N@@H+](CC(=O)[O-])C[C@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000262785635 407931451 /nfs/dbraw/zinc/93/14/51/407931451.db2.gz CPMWNVJVUKBEQT-HOCLYGCPSA-N -1 0 322.380 1.530 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cncc3ccccc32)C1 ZINC000263013784 408001184 /nfs/dbraw/zinc/00/11/84/408001184.db2.gz NGLWOOQMDMBULH-QGZVFWFLSA-N -1 0 314.341 1.798 50 0 DDAARM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263080256 408018437 /nfs/dbraw/zinc/01/84/37/408018437.db2.gz UVGDILMNMDNVKL-DJIHRAIXSA-N -1 0 320.345 1.110 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ncc2ccccc21 ZINC000263217383 408062668 /nfs/dbraw/zinc/06/26/68/408062668.db2.gz OJCYMEQWGZOQSQ-YPMHNXCESA-N -1 0 301.346 1.748 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000263463298 408146256 /nfs/dbraw/zinc/14/62/56/408146256.db2.gz CFYWBWYQGCHFEZ-PWSUYJOCSA-N -1 0 322.336 1.267 50 0 DDAARM C[C@@H]1CN(CC[N@H+](C)Cc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263563215 408175240 /nfs/dbraw/zinc/17/52/40/408175240.db2.gz DELNOSMQLKYQGD-OKILXGFUSA-N -1 0 306.406 1.926 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)CCO1 ZINC000178279446 408797713 /nfs/dbraw/zinc/79/77/13/408797713.db2.gz BKQZHPUGOXEHFN-LBPRGKRZSA-N -1 0 320.732 1.814 50 0 DDAARM CNC(=S)n1[n-]c(C)c(N=Nc2ccc(Cl)cc2)c1=O ZINC000252637130 408806507 /nfs/dbraw/zinc/80/65/07/408806507.db2.gz XPCZIJUKVCXCPF-UHFFFAOYSA-N -1 0 309.782 1.830 50 0 DDAARM CN(C)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000262617940 163858261 /nfs/dbraw/zinc/85/82/61/163858261.db2.gz ZWJHEDWGCDYMJS-LLVKDONJSA-N -1 0 312.391 1.238 50 0 DDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000263463299 163971175 /nfs/dbraw/zinc/97/11/75/163971175.db2.gz CFYWBWYQGCHFEZ-ZYHUDNBSSA-N -1 0 322.336 1.267 50 0 DDAARM COc1cccc2cc(C(=O)Nc3ccn(CC(=O)[O-])n3)oc21 ZINC000123058656 418506012 /nfs/dbraw/zinc/50/60/12/418506012.db2.gz BTAVTIQQPQTYSJ-UHFFFAOYSA-N -1 0 315.285 1.975 50 0 DDAARM COc1cc(CN(C)Cc2ncc[nH]2)ccc1O[C@H](C)C(=O)[O-] ZINC000216134562 418559883 /nfs/dbraw/zinc/55/98/83/418559883.db2.gz QUYGVQUDNVLCAM-LLVKDONJSA-N -1 0 319.361 1.902 50 0 DDAARM Cc1nc(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)co1 ZINC000426403522 419462088 /nfs/dbraw/zinc/46/20/88/419462088.db2.gz OCNVGAXEAQORQH-GFCCVEGCSA-N -1 0 304.350 1.644 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000299741414 229376710 /nfs/dbraw/zinc/37/67/10/229376710.db2.gz FSJJNRFZTHYXPV-CABZTGNLSA-N -1 0 320.370 1.423 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000299746839 229388537 /nfs/dbraw/zinc/38/85/37/229388537.db2.gz BHMVEUVZDUGWFB-RRFJBIMHSA-N -1 0 321.348 1.818 50 0 DDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(C2CC2)on1 ZINC000299747793 229390963 /nfs/dbraw/zinc/39/09/63/229390963.db2.gz FCDWXJZBQLCTFV-NSHDSACASA-N -1 0 308.334 1.648 50 0 DDAARM C[C@H](CN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299747800 229391878 /nfs/dbraw/zinc/39/18/78/229391878.db2.gz FCJQLEKBDJUIIP-SKDRFNHKSA-N -1 0 322.386 1.669 50 0 DDAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3cccnc3)sc2C(=O)C1 ZINC000299780183 229433249 /nfs/dbraw/zinc/43/32/49/229433249.db2.gz PFRWFLNFDDOUMR-MRVPVSSYSA-N -1 0 317.326 1.620 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000492280043 420511104 /nfs/dbraw/zinc/51/11/04/420511104.db2.gz VCDDIUJKPKPTBM-WHLNPGIBSA-N -1 0 311.341 1.961 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000492153737 421206937 /nfs/dbraw/zinc/20/69/37/421206937.db2.gz HNUJMBAAPYMORR-WTKPLQERSA-N -1 0 302.330 1.135 50 0 DDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2nnc(C(F)(F)F)s2)O1 ZINC000563622458 421528527 /nfs/dbraw/zinc/52/85/27/421528527.db2.gz GUIRHIDKXVPDSG-IUYQGCFVSA-N -1 0 311.241 1.128 50 0 DDAARM Cn1c(C2CC2)n[n-]c1=NC(=O)c1ccc(Br)cn1 ZINC000585113384 422305033 /nfs/dbraw/zinc/30/50/33/422305033.db2.gz YSFMTQFVOFKDRV-UHFFFAOYSA-N -1 0 322.166 1.524 50 0 DDAARM O=C([O-])CCN(C(=O)/C=C\c1ccccn1)C1CCOCC1 ZINC000606441731 422458822 /nfs/dbraw/zinc/45/88/22/422458822.db2.gz UGKCXBYBGOXXPW-PLNGDYQASA-N -1 0 304.346 1.577 50 0 DDAARM COc1ccc([C@@H]2C[C@H]2C(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000656851531 423795949 /nfs/dbraw/zinc/79/59/49/423795949.db2.gz MZSOVASCWNTBEV-NWDGAFQWSA-N -1 0 316.317 1.114 50 0 DDAARM CC(C)[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000268881694 280358744 /nfs/dbraw/zinc/35/87/44/280358744.db2.gz DTZYNQZYJBAZDY-PXTSUWAFSA-N -1 0 316.357 1.381 50 0 DDAARM COc1cc([O-])c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)CC(=O)C[C@H]1C ZINC000100122105 295004176 /nfs/dbraw/zinc/00/41/76/295004176.db2.gz SXCNFUDOBRUGOV-BAHMLBHCSA-N -1 0 324.716 1.936 50 0 DDAARM COc1ncccc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237121644 295464569 /nfs/dbraw/zinc/46/45/69/295464569.db2.gz JBDMPUGISGWRAI-DRZSPHRISA-N -1 0 304.346 1.948 50 0 DDAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000008739721 300950842 /nfs/dbraw/zinc/95/08/42/300950842.db2.gz IHQMAYPPCLRMEF-ZETCQYMHSA-N -1 0 310.331 1.349 50 0 DDAARM Cc1cc(C(=O)[O-])cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c1 ZINC000263347889 301153456 /nfs/dbraw/zinc/15/34/56/301153456.db2.gz URXCYDRWOVOCRJ-LBPRGKRZSA-N -1 0 311.359 1.000 50 0 DDAARM Cn1nccc1/C=C/C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237673744 303062779 /nfs/dbraw/zinc/06/27/79/303062779.db2.gz CATOLQDMNJKVOU-GLNXFCACSA-N -1 0 303.362 1.678 50 0 DDAARM Cc1cccnc1CN(C)Cc1cnc(NCC(=O)[O-])nc1 ZINC000534637068 334309688 /nfs/dbraw/zinc/30/96/88/334309688.db2.gz QKMCFNUFDHIWRV-UHFFFAOYSA-N -1 0 301.350 1.309 50 0 DDAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@](C)(C(F)F)O1 ZINC000663144797 484701894 /nfs/dbraw/zinc/70/18/94/484701894.db2.gz PRDBAJVDYHKJDQ-XLKFXECMSA-N -1 0 314.288 1.665 50 0 DDAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@@](C)(C(F)F)O1 ZINC000663144796 484701928 /nfs/dbraw/zinc/70/19/28/484701928.db2.gz PRDBAJVDYHKJDQ-RTHLEPHNSA-N -1 0 314.288 1.665 50 0 DDAARM C[C@@H]1CCC[C@H](OCC(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000299747739 533881149 /nfs/dbraw/zinc/88/11/49/533881149.db2.gz DXCPOIZBBKBHPD-OCCSQVGLSA-N -1 0 313.394 1.674 50 0 DDAARM CC(C)(C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000299746235 527509179 /nfs/dbraw/zinc/50/91/79/527509179.db2.gz VYYYTFWVXIRXGV-GFCCVEGCSA-N -1 0 311.765 1.930 50 0 DDAARM CC(C)COc1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000299746873 528147282 /nfs/dbraw/zinc/14/72/82/528147282.db2.gz BMQOOPAWEWRAGS-OAHLLOKOSA-N -1 0 321.373 1.576 50 0 DDAARM CCOc1cccc2c1OC[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC000299740888 528697869 /nfs/dbraw/zinc/69/78/69/528697869.db2.gz BZHHUBJXQUJUSU-STQMWFEESA-N -1 0 319.357 1.712 50 0 DDAARM Nc1nc(Cl)nc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000003832563 696009970 /nfs/dbraw/zinc/00/99/70/696009970.db2.gz VWFOMZYODHGSJT-UHFFFAOYSA-N -1 0 320.161 1.561 50 0 DDAARM Cc1ccc2cccc(OCCN3C[C@H](C(=O)[O-])CC3=O)c2n1 ZINC000065455181 696344996 /nfs/dbraw/zinc/34/49/96/696344996.db2.gz OWSUIANXSKTHSK-CYBMUJFWSA-N -1 0 314.341 1.855 50 0 DDAARM C[C@@](O)(CNC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000261595697 698428358 /nfs/dbraw/zinc/42/83/58/698428358.db2.gz YGYMRRIOYBWZOZ-SECBINFHSA-N -1 0 308.153 1.076 50 0 DDAARM COC(=O)c1cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])on1 ZINC000864096056 706066553 /nfs/dbraw/zinc/06/65/53/706066553.db2.gz XZVTVBYRBHRJBK-CQSZACIVSA-N -1 0 316.313 1.645 50 0 DDAARM CO[C@@H](CS(=O)(=O)[N-]c1cnnn1-c1ccccc1)C(C)C ZINC000585129701 771961894 /nfs/dbraw/zinc/96/18/94/771961894.db2.gz SCWIWOIKNBPRIB-ZDUSSCGKSA-N -1 0 324.406 1.680 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc(-c2cccs2)n1 ZINC000088375167 185247493 /nfs/dbraw/zinc/24/74/93/185247493.db2.gz VSCFNDZLZLYQMK-VIFPVBQESA-N -1 0 324.383 1.797 50 0 DDAARM COc1ccc(O[C@@H](C)C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000095408879 185356827 /nfs/dbraw/zinc/35/68/27/185356827.db2.gz GHLJZDMWWPEQID-NSHDSACASA-N -1 0 307.346 1.976 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cl)cc2)C1 ZINC000685940658 539563922 /nfs/dbraw/zinc/56/39/22/539563922.db2.gz FFWZMRQRETVQDP-JQWIXIFHSA-N -1 0 324.764 1.391 50 0 DDAARM Cc1cc(N2CC[NH2+][C@@H](C(=O)[O-])C2)nc(-c2ccccc2[O-])n1 ZINC000071764379 191027315 /nfs/dbraw/zinc/02/73/15/191027315.db2.gz AKTMZTXWGDZEPJ-GFCCVEGCSA-N -1 0 314.345 1.020 50 0 DDAARM COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000072274550 191097210 /nfs/dbraw/zinc/09/72/10/191097210.db2.gz DLAORJRXHZSKIB-LBPRGKRZSA-N -1 0 307.346 1.848 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000072291217 191109173 /nfs/dbraw/zinc/10/91/73/191109173.db2.gz QYLSJFYTJJZTSD-UHFFFAOYSA-N -1 0 320.267 1.960 50 0 DDAARM CCOC(=O)CN(c1ccc(C)cc1)[C@@H]1SC(=O)[N-]C1=O ZINC000001317736 352109716 /nfs/dbraw/zinc/10/97/16/352109716.db2.gz HKEHBAIPQORJFJ-CYBMUJFWSA-N -1 0 308.359 1.674 50 0 DDAARM Cc1cc2nc(-c3ccccc3)cc(NCc3nnn[n-]3)n2n1 ZINC000072436178 191166490 /nfs/dbraw/zinc/16/64/90/191166490.db2.gz MNPHLFWZZYXAEV-UHFFFAOYSA-N -1 0 306.333 1.830 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2ccsc2)CC1 ZINC000072463737 191174144 /nfs/dbraw/zinc/17/41/44/191174144.db2.gz JLPPNDJGVSXSEL-UHFFFAOYSA-N -1 0 305.359 1.661 50 0 DDAARM O=C([O-])CNC(=O)c1ccc(NC(=O)c2cccs2)cc1 ZINC000001045774 180842707 /nfs/dbraw/zinc/84/27/07/180842707.db2.gz FDTUOGWJIOBAGT-UHFFFAOYSA-N -1 0 304.327 1.815 50 0 DDAARM Nc1nonc1-n1nnc(C(=O)[O-])c1CSc1ccccc1 ZINC000003651412 181043746 /nfs/dbraw/zinc/04/37/46/181043746.db2.gz JRASBQXFEYUVIO-UHFFFAOYSA-N -1 0 318.318 1.223 50 0 DDAARM CC(=O)c1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1 ZINC000004179235 181082646 /nfs/dbraw/zinc/08/26/46/181082646.db2.gz AZERMEIHQZCSDJ-RFGFWPKPSA-N -1 0 301.298 1.482 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1scnc1C1CC1 ZINC000158019413 354228532 /nfs/dbraw/zinc/22/85/32/354228532.db2.gz MYCMGDHATNFPJI-QMMMGPOBSA-N -1 0 316.404 1.117 50 0 DDAARM CCc1ccccc1C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1 ZINC000585134295 354811161 /nfs/dbraw/zinc/81/11/61/354811161.db2.gz LYWMUPBDZAIEHI-QFIPXVFZSA-N -1 0 323.414 1.687 50 0 DDAARM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cn[nH]n1)c1ccccc1 ZINC000585136160 354811812 /nfs/dbraw/zinc/81/18/12/354811812.db2.gz TZOIUTKQGSNLSI-JTQLQIEISA-N -1 0 308.363 1.194 50 0 DDAARM O=C([O-])C[S@](=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000005513425 181251749 /nfs/dbraw/zinc/25/17/49/181251749.db2.gz UKMWXNNSISWSGN-FQEVSTJZSA-N -1 0 309.265 1.477 50 0 DDAARM CCn1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1Cl ZINC000236965311 202097125 /nfs/dbraw/zinc/09/71/25/202097125.db2.gz RDHIBFDHTJJIRO-VIFPVBQESA-N -1 0 315.757 1.181 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000165586549 304110271 /nfs/dbraw/zinc/11/02/71/304110271.db2.gz FLGQHKFZQHLOQT-SNVBAGLBSA-N -1 0 320.320 1.647 50 0 DDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)cs1 ZINC000006681503 181370153 /nfs/dbraw/zinc/37/01/53/181370153.db2.gz YFPGTRPCTQXGTI-UHFFFAOYSA-N -1 0 300.336 1.787 50 0 DDAARM CC(C)[C@@H]1CN(C(=O)c2cccnc2N(C)C)C[C@H]1C(=O)[O-] ZINC000091475921 193061696 /nfs/dbraw/zinc/06/16/96/193061696.db2.gz ZCHCXHLWFCRIFV-QWHCGFSZSA-N -1 0 305.378 1.576 50 0 DDAARM CCC[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C(=O)[O-] ZINC000092096782 193156922 /nfs/dbraw/zinc/15/69/22/193156922.db2.gz GWSDFBSSCKNJNJ-ZYHUDNBSSA-N -1 0 313.785 1.886 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000227957603 304135222 /nfs/dbraw/zinc/13/52/22/304135222.db2.gz XOTCRUZEDJIZKL-GUBZILKMSA-N -1 0 309.284 1.667 50 0 DDAARM C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114236 193162456 /nfs/dbraw/zinc/16/24/56/193162456.db2.gz DJXJHLLUQVWTBE-QMMMGPOBSA-N -1 0 301.339 1.943 50 0 DDAARM Cc1nc2[n-]c(NC(=O)c3ccc(F)cc3)nn2c(=O)c1Cl ZINC000101400340 291462209 /nfs/dbraw/zinc/46/22/09/291462209.db2.gz VGHKMJMUZSXIHK-UHFFFAOYSA-N -1 0 321.699 1.771 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2nccn2c1 ZINC000178050149 304153030 /nfs/dbraw/zinc/15/30/30/304153030.db2.gz RMUQWXGPSLVHBB-HNNXBMFYSA-N -1 0 321.336 1.986 50 0 DDAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000009667929 181633509 /nfs/dbraw/zinc/63/35/09/181633509.db2.gz HFOGAGBRXGASRY-UHFFFAOYSA-N -1 0 313.375 1.715 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000020120035 182189229 /nfs/dbraw/zinc/18/92/29/182189229.db2.gz MTSNKHFTMILZHK-CHWSQXEVSA-N -1 0 304.346 1.876 50 0 DDAARM CCC1C(=O)N=C(SCC(=O)NCc2ccccc2)N=C1[O-] ZINC000020191122 182195567 /nfs/dbraw/zinc/19/55/67/182195567.db2.gz XSKVAESAVFDBSO-UHFFFAOYSA-N -1 0 319.386 1.446 50 0 DDAARM O=C([O-])CCc1nnc2n(c1=O)N=C(c1cccs1)CS2 ZINC000020272654 182202789 /nfs/dbraw/zinc/20/27/89/182202789.db2.gz VCDKNXMQBMSSDE-UHFFFAOYSA-N -1 0 322.371 1.075 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000269083957 304186588 /nfs/dbraw/zinc/18/65/88/304186588.db2.gz KJAVARXZDOIVAD-CYBMUJFWSA-N -1 0 317.345 1.296 50 0 DDAARM CC(C)COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675337 193834890 /nfs/dbraw/zinc/83/48/90/193834890.db2.gz HTZWYHQRGJQAGM-LBPRGKRZSA-N -1 0 315.333 1.691 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2cccc3c2OCCO3)CCSC1 ZINC000043511011 183368687 /nfs/dbraw/zinc/36/86/87/183368687.db2.gz KDLDWZUODKCENA-AWEZNQCLSA-N -1 0 309.343 1.148 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(Br)c(F)c1 ZINC000268933923 207099507 /nfs/dbraw/zinc/09/95/07/207099507.db2.gz ZPGANOZWYWYSGQ-JGVFFNPUSA-N -1 0 316.126 1.925 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000268944277 207109849 /nfs/dbraw/zinc/10/98/49/207109849.db2.gz LSKLOYGKNWRJPO-RBSFLKMASA-N -1 0 303.358 1.772 50 0 DDAARM Cc1cccc(OCCCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000268938817 207103442 /nfs/dbraw/zinc/10/34/42/207103442.db2.gz DBABSOMQKGIIGP-OAHLLOKOSA-N -1 0 321.373 1.856 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000268962596 207126187 /nfs/dbraw/zinc/12/61/87/207126187.db2.gz APUHESMWSJLLBE-LBPRGKRZSA-N -1 0 320.276 1.005 50 0 DDAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268991196 207149885 /nfs/dbraw/zinc/14/98/85/207149885.db2.gz SUPHNCUKHUXHBN-CQSZACIVSA-N -1 0 302.330 1.331 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000269135208 207266278 /nfs/dbraw/zinc/26/62/78/207266278.db2.gz CWWXNDUTMNQNPO-JHJVBQTASA-N -1 0 317.341 1.494 50 0 DDAARM COc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000269203112 207322515 /nfs/dbraw/zinc/32/25/15/207322515.db2.gz SAWYQTLUOQRMKM-LBPRGKRZSA-N -1 0 307.346 1.570 50 0 DDAARM COc1cccc(C)c1C(=O)N[C@@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067712742 184480927 /nfs/dbraw/zinc/48/09/27/184480927.db2.gz PSVFHVGITDFBBO-CQSZACIVSA-N -1 0 317.345 1.899 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000005817126 257262651 /nfs/dbraw/zinc/26/26/51/257262651.db2.gz VDPZDRBXCKEVJM-KGLIPLIRSA-N -1 0 304.346 1.330 50 0 DDAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000000834806 406660430 /nfs/dbraw/zinc/66/04/30/406660430.db2.gz KMBFDSIWSFCRKM-FZKGZDJFSA-N -1 0 311.359 1.242 50 0 DDAARM Cc1ccc(CNC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000001281519 406666915 /nfs/dbraw/zinc/66/69/15/406666915.db2.gz LFTFDNZOBCXQPN-UHFFFAOYSA-N -1 0 304.375 1.603 50 0 DDAARM CCOC(=O)CC[P@](=O)([O-])[C@H](O)c1ccc(OC)cc1 ZINC000001760837 406678333 /nfs/dbraw/zinc/67/83/33/406678333.db2.gz UBLKNYQHNUDMSJ-ZDUSSCGKSA-N -1 0 302.263 1.910 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000002620225 406692550 /nfs/dbraw/zinc/69/25/50/406692550.db2.gz ZIIVHPIAJQYXRH-SECBINFHSA-N -1 0 303.767 1.825 50 0 DDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(N)=O)C(=O)[O-] ZINC000004241932 406724196 /nfs/dbraw/zinc/72/41/96/406724196.db2.gz FMPVOXUPJFIODB-NSHDSACASA-N -1 0 308.334 1.306 50 0 DDAARM CC(=O)c1cc(NC(=O)c2nccnc2C(=O)[O-])ccc1O ZINC000071285230 406835717 /nfs/dbraw/zinc/83/57/17/406835717.db2.gz QYNBTWKTUQRTQL-UHFFFAOYSA-N -1 0 301.258 1.335 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000071285435 406836301 /nfs/dbraw/zinc/83/63/01/406836301.db2.gz TYCBEKVUELNSMY-OLZOCXBDSA-N -1 0 316.357 1.874 50 0 DDAARM O=C([O-])c1ccc(F)c(S(=O)(=O)NCc2ccccn2)c1 ZINC000013093575 406858513 /nfs/dbraw/zinc/85/85/13/406858513.db2.gz XESGXGGTURXOJC-UHFFFAOYSA-N -1 0 310.306 1.397 50 0 DDAARM O=C([O-])c1csc(S(=O)(=O)NCCc2ccccc2)c1 ZINC000013305518 406861453 /nfs/dbraw/zinc/86/14/53/406861453.db2.gz JZWHXNSJXIHCOP-UHFFFAOYSA-N -1 0 311.384 1.967 50 0 DDAARM CN(Cc1ccco1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013309869 406861838 /nfs/dbraw/zinc/86/18/38/406861838.db2.gz RANBACAZDGXCCB-UHFFFAOYSA-N -1 0 301.345 1.860 50 0 DDAARM NNc1[n-]c2nnc(N)c-2c2c1CN(Cc1ccccc1)CC2 ZINC000018143088 406884908 /nfs/dbraw/zinc/88/49/08/406884908.db2.gz LIPQMNZBWVKMPG-UHFFFAOYSA-N -1 0 309.377 1.384 50 0 DDAARM O=C1c2ccccc2C(=O)N1c1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000021171456 406889645 /nfs/dbraw/zinc/88/96/45/406889645.db2.gz YTMKEAFVBIFREJ-UHFFFAOYSA-N -1 0 321.296 1.119 50 0 DDAARM O=C([O-])Cn1cc(C(=O)NCc2ccc(F)cc2)ccc1=O ZINC000035605695 406973466 /nfs/dbraw/zinc/97/34/66/406973466.db2.gz XNENDGPCJPIQDO-UHFFFAOYSA-N -1 0 304.277 1.002 50 0 DDAARM C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])N1CCc2ccccc2C1 ZINC000036108170 406977158 /nfs/dbraw/zinc/97/71/58/406977158.db2.gz UDIWVRHHDGOWCO-WFASDCNBSA-N -1 0 302.374 1.509 50 0 DDAARM Cc1c(Br)cccc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000075093069 406921753 /nfs/dbraw/zinc/92/17/53/406921753.db2.gz NXHIVZVMAUCNAT-UHFFFAOYSA-N -1 0 311.139 1.099 50 0 DDAARM COc1ccc2c(ccn2CC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000032124299 406946258 /nfs/dbraw/zinc/94/62/58/406946258.db2.gz XVJAQDWGLWBAML-HNNXBMFYSA-N -1 0 304.346 1.875 50 0 DDAARM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000048991459 407112753 /nfs/dbraw/zinc/11/27/53/407112753.db2.gz DOGZOCNJLLFLHD-UHFFFAOYSA-N -1 0 309.347 1.614 50 0 DDAARM C[C@]1(C(=O)[O-])CCCN1CC(=O)NCc1ccc(Cl)cc1 ZINC000079488024 407055620 /nfs/dbraw/zinc/05/56/20/407055620.db2.gz AKVSNAWWVVMXGV-OAHLLOKOSA-N -1 0 310.781 1.895 50 0 DDAARM O=C([O-])CN(C[C@H]1CCCO1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000089857781 407154234 /nfs/dbraw/zinc/15/42/34/407154234.db2.gz AYKDYHSSFCXTKI-TZMCWYRMSA-N -1 0 319.357 1.645 50 0 DDAARM Cc1ccccc1[C@]1(O)CCN(c2ncncc2CC(=O)[O-])C1 ZINC000095383786 407212013 /nfs/dbraw/zinc/21/20/13/407212013.db2.gz PHWOZKREFBSDNB-KRWDZBQOSA-N -1 0 313.357 1.510 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 ZINC000095969482 407218491 /nfs/dbraw/zinc/21/84/91/407218491.db2.gz FSAWUMKLGODKBN-NSHDSACASA-N -1 0 317.320 1.948 50 0 DDAARM Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000058341963 407219864 /nfs/dbraw/zinc/21/98/64/407219864.db2.gz OITOZNBVUXKIRA-UHFFFAOYSA-N -1 0 317.374 1.715 50 0 DDAARM CN(CC(F)(F)F)C(=O)CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000096439635 407266451 /nfs/dbraw/zinc/26/64/51/407266451.db2.gz FHYBPVUKZXVVJD-UHFFFAOYSA-N -1 0 324.686 1.796 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2cc(F)ccc2OC(F)F)cn1 ZINC000096469268 407270161 /nfs/dbraw/zinc/27/01/61/407270161.db2.gz ILNIKJIVKVOXIF-UHFFFAOYSA-N -1 0 321.280 1.961 50 0 DDAARM Cc1ncn(Cc2nc(-c3ccncc3)nn2CC(=O)[O-])c1C ZINC000097601034 407300204 /nfs/dbraw/zinc/30/02/04/407300204.db2.gz SNTJTCVRHZQJLE-UHFFFAOYSA-N -1 0 312.333 1.286 50 0 DDAARM CCSc1nn2c([n-]1)nc(CSc1ncccn1)cc2=O ZINC000100071790 407307173 /nfs/dbraw/zinc/30/71/73/407307173.db2.gz CUCAUWLJBSMOJL-UHFFFAOYSA-N -1 0 320.403 1.612 50 0 DDAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100166132 407307352 /nfs/dbraw/zinc/30/73/52/407307352.db2.gz NADRFVQJUKWNGP-GXSJLCMTSA-N -1 0 322.704 1.147 50 0 DDAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000101081847 407308857 /nfs/dbraw/zinc/30/88/57/407308857.db2.gz DNYJFRCCKZWAPL-UHFFFAOYSA-N -1 0 303.318 1.527 50 0 DDAARM O=C([O-])c1csc(CNC(=O)Cn2ncc3ccccc32)n1 ZINC000124203806 407351346 /nfs/dbraw/zinc/35/13/46/407351346.db2.gz CFHRJEDVDPRMAM-UHFFFAOYSA-N -1 0 316.342 1.507 50 0 DDAARM C[C@@H](CN(C)C(=O)c1cc(-c2ccccc2)no1)c1nnn[n-]1 ZINC000195562619 407468333 /nfs/dbraw/zinc/46/83/33/407468333.db2.gz APSQKHFGUBETMR-JTQLQIEISA-N -1 0 312.333 1.730 50 0 DDAARM Cn1c(=O)oc2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc21 ZINC000170621008 407457603 /nfs/dbraw/zinc/45/76/03/407457603.db2.gz QAVKTNXWQGKQCU-GHMZBOCLSA-N -1 0 316.313 1.737 50 0 DDAARM O=S(=O)([N-]Cc1cccnn1)c1c(F)c(F)cc(F)c1F ZINC000225754629 407604435 /nfs/dbraw/zinc/60/44/35/407604435.db2.gz ZOMVVOQNFMGGCF-UHFFFAOYSA-N -1 0 321.255 1.512 50 0 DDAARM CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000236703060 407755060 /nfs/dbraw/zinc/75/50/60/407755060.db2.gz SSYNJDXEQKLVBQ-ASSNKEHSSA-N -1 0 309.387 1.892 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000236953165 407786822 /nfs/dbraw/zinc/78/68/22/407786822.db2.gz XTTITGKRNXOZDQ-WDEREUQCSA-N -1 0 324.343 1.972 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)o1 ZINC000238125498 407892786 /nfs/dbraw/zinc/89/27/86/407892786.db2.gz BBFKQRUDIINNIS-GFCCVEGCSA-N -1 0 305.261 1.737 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1SCCc2sccc21 ZINC000268935695 292453177 /nfs/dbraw/zinc/45/31/77/292453177.db2.gz GHXXQFBBCFNESB-LBPRGKRZSA-N -1 0 315.416 1.638 50 0 DDAARM C[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)c1c(F)cccc1F ZINC000262904516 407965926 /nfs/dbraw/zinc/96/59/26/407965926.db2.gz IZRGKQGYFFHKAU-VIFPVBQESA-N -1 0 313.300 1.818 50 0 DDAARM O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000242390289 407915529 /nfs/dbraw/zinc/91/55/29/407915529.db2.gz AISZJTPLQRGKDX-XYPYZODXSA-N -1 0 315.366 1.995 50 0 DDAARM NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000174761601 407985792 /nfs/dbraw/zinc/98/57/92/407985792.db2.gz JAQMHTABQWEQGS-QMMMGPOBSA-N -1 0 318.782 1.360 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)cn1 ZINC000263571203 408178083 /nfs/dbraw/zinc/17/80/83/408178083.db2.gz JCAWLYWKZRMPTI-AWEZNQCLSA-N -1 0 304.346 1.811 50 0 DDAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3n[nH]c(C)c3C)cc12 ZINC000151414708 408305452 /nfs/dbraw/zinc/30/54/52/408305452.db2.gz DVJWYMYURZMECN-UHFFFAOYSA-N -1 0 320.378 1.417 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000191566050 408446871 /nfs/dbraw/zinc/44/68/71/408446871.db2.gz UGWXXQIIBBNCHE-VHSXEESVSA-N -1 0 322.748 1.891 50 0 DDAARM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000276303559 408832307 /nfs/dbraw/zinc/83/23/07/408832307.db2.gz LYNODXCNAJDWPR-YUMQZZPRSA-N -1 0 321.782 1.740 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000262526804 163843041 /nfs/dbraw/zinc/84/30/41/163843041.db2.gz HBEUWPISGNRZBY-OAHLLOKOSA-N -1 0 313.357 1.881 50 0 DDAARM CC(C)[C@H](NC(=O)c1cccc(NC(=O)N(C)C)c1)C(=O)[O-] ZINC000262929209 163894342 /nfs/dbraw/zinc/89/43/42/163894342.db2.gz XAQYIHCLPWBOEM-LBPRGKRZSA-N -1 0 307.350 1.619 50 0 DDAARM Cc1nc(CC(C)C)sc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299748949 410605476 /nfs/dbraw/zinc/60/54/76/410605476.db2.gz IPQMZFSVAOALPU-JTQLQIEISA-N -1 0 312.391 1.576 50 0 DDAARM O=C1OCC2(CCN(Cc3nc(=O)c4sccc4[n-]3)CC2)O1 ZINC000299779604 410620727 /nfs/dbraw/zinc/62/07/27/410620727.db2.gz UVKINBZNEULWFG-UHFFFAOYSA-N -1 0 321.358 1.898 50 0 DDAARM CC(C)c1ocnc1C(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000299783295 410625523 /nfs/dbraw/zinc/62/55/23/410625523.db2.gz YJGRWESRATVHQW-SNVBAGLBSA-N -1 0 304.306 1.173 50 0 DDAARM O=C(C[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049515089 418478441 /nfs/dbraw/zinc/47/84/41/418478441.db2.gz BRWXRIAPUOAGBJ-SNVBAGLBSA-N -1 0 318.782 1.250 50 0 DDAARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000113699248 418501336 /nfs/dbraw/zinc/50/13/36/418501336.db2.gz PSKNTYJRFUGSGY-QMMMGPOBSA-N -1 0 320.436 1.535 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccccc1-n1cnnc1 ZINC000426471664 419476223 /nfs/dbraw/zinc/47/62/23/419476223.db2.gz RYYYWEZVNUEYHN-CYBMUJFWSA-N -1 0 300.318 1.347 50 0 DDAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N[C@@H](C)C(F)(F)F)c1 ZINC000426478174 419481266 /nfs/dbraw/zinc/48/12/66/419481266.db2.gz UZFAJLVWXMHESY-ZETCQYMHSA-N -1 0 320.267 1.808 50 0 DDAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000426493903 419487548 /nfs/dbraw/zinc/48/75/48/419487548.db2.gz CRLFGQOZOPLTPU-CYBMUJFWSA-N -1 0 314.345 1.383 50 0 DDAARM Cc1ccc2c(CC(=O)N(C)Cc3n[nH]c(=O)[n-]3)coc2c1 ZINC000426494459 419491762 /nfs/dbraw/zinc/49/17/62/419491762.db2.gz WNSLPVDQDOGMJB-UHFFFAOYSA-N -1 0 300.318 1.766 50 0 DDAARM CSCC[C@H](NC(=O)Cc1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000426423122 419467225 /nfs/dbraw/zinc/46/72/25/419467225.db2.gz UOJCZSQGNONUDS-JTQLQIEISA-N -1 0 317.794 1.911 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)CCCc2cn[nH]c2)n1 ZINC000426722669 419539506 /nfs/dbraw/zinc/53/95/06/419539506.db2.gz QZYLQVDBVZXHAW-UHFFFAOYSA-N -1 0 308.363 1.246 50 0 DDAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)O1 ZINC000579127802 422711710 /nfs/dbraw/zinc/71/17/10/422711710.db2.gz BEDUWSRKBHBPOB-WDMOLILDSA-N -1 0 307.346 1.693 50 0 DDAARM CC(Nc1cccc(C(F)(F)F)c1)=C1C(=O)[N-]C(=O)NC1=O ZINC000005029058 275800545 /nfs/dbraw/zinc/80/05/45/275800545.db2.gz URWHVKUXFXVDOR-UHFFFAOYSA-N -1 0 313.235 1.757 50 0 DDAARM CC(C)(C)n1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1C1CC1 ZINC000268978398 278583975 /nfs/dbraw/zinc/58/39/75/278583975.db2.gz LKNVQIQLJTWVKR-ZDUSSCGKSA-N -1 0 321.377 1.441 50 0 DDAARM CC(C)NC(=O)CCNC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000226750080 279563530 /nfs/dbraw/zinc/56/35/30/279563530.db2.gz GJVCFRFMBBWACT-AWEZNQCLSA-N -1 0 320.389 1.666 50 0 DDAARM CC(C)[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000178262945 279775396 /nfs/dbraw/zinc/77/53/96/279775396.db2.gz VMUJQPIHXFKMFA-MQYQWHSLSA-N -1 0 312.410 1.053 50 0 DDAARM CC1=C(C)C[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@H](C(=O)[O-])C1 ZINC000006698963 281663304 /nfs/dbraw/zinc/66/33/04/281663304.db2.gz XXBQGGRUDNJBIH-UONOGXRCSA-N -1 0 323.389 1.799 50 0 DDAARM COc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237192762 295381008 /nfs/dbraw/zinc/38/10/08/295381008.db2.gz YKCNDZNDOCKGCV-YPMHNXCESA-N -1 0 306.362 1.421 50 0 DDAARM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(=S)n(C[C@H]3CCCO3)c2n1 ZINC000012394888 301151746 /nfs/dbraw/zinc/15/17/46/301151746.db2.gz OHFVIFSASRRCMW-MRVPVSSYSA-N -1 0 321.358 1.266 50 0 DDAARM CC(C)CN1C[C@H](C(=O)Nc2cc(C(=O)[O-])cs2)CC1=O ZINC000568466731 308118830 /nfs/dbraw/zinc/11/88/30/308118830.db2.gz QDOWIIBHSRKYQC-SECBINFHSA-N -1 0 310.375 1.889 50 0 DDAARM Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(CC(=O)[O-])CC2)c1 ZINC000299747991 533701442 /nfs/dbraw/zinc/70/14/42/533701442.db2.gz FSJFQNCSWRNPNX-CQSZACIVSA-N -1 0 320.389 1.300 50 0 DDAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cn1 ZINC000085321194 484003970 /nfs/dbraw/zinc/00/39/70/484003970.db2.gz IZMWUPTZIGFULR-IUCAKERBSA-N -1 0 313.151 1.827 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc2c(c1)CCO2 ZINC000169974525 484093996 /nfs/dbraw/zinc/09/39/96/484093996.db2.gz HTUAKNGQAZMBHV-ZIAGYGMSSA-N -1 0 301.342 1.905 50 0 DDAARM Cn1nccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000317680062 484390769 /nfs/dbraw/zinc/39/07/69/484390769.db2.gz XMVCXEKYQFCCOH-LLVKDONJSA-N -1 0 321.358 1.187 50 0 DDAARM CCCC[C@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1cccnc1 ZINC000670440483 484831879 /nfs/dbraw/zinc/83/18/79/484831879.db2.gz QTLLTYJHTUIQPX-ZDUSSCGKSA-N -1 0 316.361 1.873 50 0 DDAARM COc1ccccc1CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000299752615 534007266 /nfs/dbraw/zinc/00/72/66/534007266.db2.gz UTVNMTBJZXQRQU-AWEZNQCLSA-N -1 0 321.373 1.720 50 0 DDAARM COCCOc1ccc(CNC(=O)NCCCC(=O)[O-])cc1 ZINC000263121000 698491930 /nfs/dbraw/zinc/49/19/30/698491930.db2.gz XYWBQACTLNHSQH-UHFFFAOYSA-N -1 0 310.350 1.376 50 0 DDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000263528300 698511565 /nfs/dbraw/zinc/51/15/65/698511565.db2.gz VDWNHWFGYVXCLX-CMPLNLGQSA-N -1 0 305.330 1.783 50 0 DDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2c(c1)OCCO2 ZINC000263528301 698511590 /nfs/dbraw/zinc/51/15/90/698511590.db2.gz VDWNHWFGYVXCLX-JQWIXIFHSA-N -1 0 305.330 1.783 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCC[C@@](O)(C(=O)[O-])C2)c1 ZINC000888098684 709213235 /nfs/dbraw/zinc/21/32/35/709213235.db2.gz ORUQTQBFGDBNML-KRWDZBQOSA-N -1 0 321.373 1.454 50 0 DDAARM O=S(=O)([N-]c1n[nH]c2ncnn12)c1ccc2c(c1)CCCC2 ZINC000585129846 771962462 /nfs/dbraw/zinc/96/24/62/771962462.db2.gz YRIIMOVJZNNNCN-UHFFFAOYSA-N -1 0 318.362 1.132 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCOc1ccccc1Cl ZINC000088374351 185247466 /nfs/dbraw/zinc/24/74/66/185247466.db2.gz DAOYQNCCSFYPEI-LLVKDONJSA-N -1 0 313.737 1.421 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)CSc1ccccc1 ZINC000222701422 539265688 /nfs/dbraw/zinc/26/56/88/539265688.db2.gz URBUZQHQLATFJL-CYBMUJFWSA-N -1 0 317.370 1.540 50 0 DDAARM CCn1cc(C(=O)NC[C@H](Cc2ccccc2C)C(=O)[O-])cn1 ZINC000097018810 185397952 /nfs/dbraw/zinc/39/79/52/185397952.db2.gz XEIPTWVFDGNHRR-AWEZNQCLSA-N -1 0 315.373 1.885 50 0 DDAARM O=C(CCc1ccco1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000069744347 190812849 /nfs/dbraw/zinc/81/28/49/190812849.db2.gz RBTLBOQCQDEZKU-UHFFFAOYSA-N -1 0 307.371 1.901 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CCC2)[C@@H](n2cc(C3CC3)nn2)C1 ZINC000685942617 539566776 /nfs/dbraw/zinc/56/67/76/539566776.db2.gz YJGPIIYZKGQEMS-SCRDCRAPSA-N -1 0 318.377 1.476 50 0 DDAARM Cc1ccc(C(=O)N[C@](C)(COc2ccccc2)C(=O)[O-])n1C ZINC000139957452 186024812 /nfs/dbraw/zinc/02/48/12/186024812.db2.gz LDPIAQWRQRQFDH-QGZVFWFLSA-N -1 0 316.357 1.986 50 0 DDAARM CCc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000072191557 191073057 /nfs/dbraw/zinc/07/30/57/191073057.db2.gz BTNDXYDPBMLUKW-UHFFFAOYSA-N -1 0 320.374 1.807 50 0 DDAARM C[C@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000237450329 186291116 /nfs/dbraw/zinc/29/11/16/186291116.db2.gz HLPORVJAVSMQRO-QMMMGPOBSA-N -1 0 318.333 1.951 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(c3nccc(C)n3)CC2)c1 ZINC000072417786 191155278 /nfs/dbraw/zinc/15/52/78/191155278.db2.gz VEDMESBPWTZXJA-UHFFFAOYSA-N -1 0 301.350 1.370 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H](C)c1cccc(F)c1 ZINC000076090111 353398188 /nfs/dbraw/zinc/39/81/88/353398188.db2.gz MAOPVCYFSBOBIP-SNVBAGLBSA-N -1 0 302.371 1.632 50 0 DDAARM Cc1cc(C)n2nc(C(=O)[N-]c3nnc(C4CC4)s3)nc2n1 ZINC000003349237 181010114 /nfs/dbraw/zinc/01/01/14/181010114.db2.gz NASUYBMTFSIPBF-UHFFFAOYSA-N -1 0 315.362 1.722 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000003884745 181052225 /nfs/dbraw/zinc/05/22/25/181052225.db2.gz JIVAENNOJFLNHO-UHFFFAOYSA-N -1 0 307.327 1.569 50 0 DDAARM CCOc1ccc([N-]S(=O)(=O)c2coc(C(N)=O)c2)cc1 ZINC000004030518 181064585 /nfs/dbraw/zinc/06/45/85/181064585.db2.gz AVYBQSGTSVOGCA-UHFFFAOYSA-N -1 0 310.331 1.578 50 0 DDAARM COC1(Cn2c(=O)c3ccccc3[n-]c2=S)CCOCC1 ZINC000160318895 354237738 /nfs/dbraw/zinc/23/77/38/354237738.db2.gz IFAVKJIPGCLBAO-UHFFFAOYSA-N -1 0 306.387 1.881 50 0 DDAARM O=C([O-])COCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004675431 181135118 /nfs/dbraw/zinc/13/51/18/181135118.db2.gz USEQJWCNXSQSOQ-UHFFFAOYSA-N -1 0 312.753 1.090 50 0 DDAARM CCN(CC(=O)[O-])C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000236979182 202104501 /nfs/dbraw/zinc/10/45/01/202104501.db2.gz HRTKQRYIQNZJOX-UHFFFAOYSA-N -1 0 304.346 1.356 50 0 DDAARM C[C@H](Cc1ccccc1F)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237558550 202283206 /nfs/dbraw/zinc/28/32/06/202283206.db2.gz WRNOWCNKQRIEQW-DGCLKSJQSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237631735 202310686 /nfs/dbraw/zinc/31/06/86/202310686.db2.gz WTHOXYKIKBVFTB-QEJZJMRPSA-N -1 0 303.358 1.801 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cs2)cn1 ZINC000237715920 202336298 /nfs/dbraw/zinc/33/62/98/202336298.db2.gz ZQLCQMWHDJNGTR-CQSZACIVSA-N -1 0 320.374 1.480 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])nn2)cc1 ZINC000237829023 202364639 /nfs/dbraw/zinc/36/46/39/202364639.db2.gz NPNFOYQXUDKLPB-CYBMUJFWSA-N -1 0 300.318 1.265 50 0 DDAARM Cn1nnc2cc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)ccc21 ZINC000237830099 202364347 /nfs/dbraw/zinc/36/43/47/202364347.db2.gz ODCVTINEOKZPFP-LLVKDONJSA-N -1 0 316.361 1.685 50 0 DDAARM Cc1cc2occ(CC(=O)N3CCO[C@H](C(=O)[O-])C3)c2cc1C ZINC000237914504 202389582 /nfs/dbraw/zinc/38/95/82/202389582.db2.gz NKJQICXONQYQHY-HNNXBMFYSA-N -1 0 317.341 1.904 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000238069644 202433416 /nfs/dbraw/zinc/43/34/16/202433416.db2.gz QKJUHQZGNAETMY-LBPRGKRZSA-N -1 0 301.346 1.750 50 0 DDAARM CCn1ncc(Cl)c1C(=O)N1NC=C[C@]1(O)C(F)(F)F ZINC000006490073 181344895 /nfs/dbraw/zinc/34/48/95/181344895.db2.gz SLJRZDGBQULTEK-VIFPVBQESA-N -1 0 310.663 1.639 50 0 DDAARM COc1cccc([C@@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C(=O)[O-])c1 ZINC000091587425 193076179 /nfs/dbraw/zinc/07/61/79/193076179.db2.gz QEMPATVEWWTRJX-UONOGXRCSA-N -1 0 314.341 1.964 50 0 DDAARM CCC[C@@H]1CN(c2nc(C)c(C)cc2C(N)=O)C[C@H]1C(=O)[O-] ZINC000091617090 193079661 /nfs/dbraw/zinc/07/96/61/193079661.db2.gz UFRMOGQXMCOEHT-DGCLKSJQSA-N -1 0 305.378 1.734 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2cn[nH]c2)C1 ZINC000091644898 193083713 /nfs/dbraw/zinc/08/37/13/193083713.db2.gz IJCMEHNDZFQPMX-HNNXBMFYSA-N -1 0 309.366 1.072 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000092064930 193150696 /nfs/dbraw/zinc/15/06/96/193150696.db2.gz CXHOCKKORTZNIE-HNNXBMFYSA-N -1 0 307.350 1.007 50 0 DDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000262437304 203294340 /nfs/dbraw/zinc/29/43/40/203294340.db2.gz PEMBMKYNWQRHCT-UHFFFAOYSA-N -1 0 315.391 1.797 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1cc2sccc2[nH]1 ZINC000219924562 304153654 /nfs/dbraw/zinc/15/36/54/304153654.db2.gz PVTNJYSBDDEERA-NSHDSACASA-N -1 0 316.342 1.604 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1 ZINC000013170719 181836832 /nfs/dbraw/zinc/83/68/32/181836832.db2.gz WXUFRYLAZYBVSN-AWEZNQCLSA-N -1 0 303.358 1.877 50 0 DDAARM O=C(Nc1cccnc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662983 193802911 /nfs/dbraw/zinc/80/29/11/193802911.db2.gz KJESCRMXEKTEKR-UHFFFAOYSA-N -1 0 307.309 1.911 50 0 DDAARM O=C([O-])CCCNC(=O)COc1ccc(Br)cc1 ZINC000037409949 182889058 /nfs/dbraw/zinc/88/90/58/182889058.db2.gz UCFUWIWOFIWONO-UHFFFAOYSA-N -1 0 316.151 1.809 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000043700474 183381818 /nfs/dbraw/zinc/38/18/18/183381818.db2.gz HRLXZYGDSZKLSM-VIFPVBQESA-N -1 0 304.129 1.919 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CN1C[C@H](C(=O)[O-])CC1=O ZINC000044979022 183472889 /nfs/dbraw/zinc/47/28/89/183472889.db2.gz OJYNSMBMKIRMQY-CYBMUJFWSA-N -1 0 313.357 1.922 50 0 DDAARM O=C(Cn1cnc2ccsc2c1=O)[N-]OCc1ccccc1 ZINC000045104016 183482025 /nfs/dbraw/zinc/48/20/25/183482025.db2.gz JHPFMHFINDOJFY-UHFFFAOYSA-N -1 0 315.354 1.706 50 0 DDAARM O=C(c1n[nH]c2ccccc21)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000329194170 296301667 /nfs/dbraw/zinc/30/16/67/296301667.db2.gz SUBCDZJCIAUNMC-NSHDSACASA-N -1 0 312.333 1.754 50 0 DDAARM CC(=O)N1CCC(CNC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000268922811 207088415 /nfs/dbraw/zinc/08/84/15/207088415.db2.gz UJYWQJIPYKNQMW-UHFFFAOYSA-N -1 0 304.346 1.373 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)CSc1nnc(C)s1)C(=O)[O-] ZINC000055405030 183985197 /nfs/dbraw/zinc/98/51/97/183985197.db2.gz YJKNRSDGLOVCNO-RCOVLWMOSA-N -1 0 303.409 1.554 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000268958018 207121795 /nfs/dbraw/zinc/12/17/95/207121795.db2.gz ZJDCNHAWEKHLOG-LBPRGKRZSA-N -1 0 321.373 1.924 50 0 DDAARM COc1ccc([C@@H](C)C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000269023302 207174244 /nfs/dbraw/zinc/17/42/44/207174244.db2.gz JHPXIBGQEGNDBD-BXUZGUMPSA-N -1 0 307.346 1.501 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(=O)n(C)ncn3c2)cc1 ZINC000065246746 184318382 /nfs/dbraw/zinc/31/83/82/184318382.db2.gz HAJSCJHUHQGLJJ-UHFFFAOYSA-N -1 0 318.358 1.142 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2csc(-c3ncccn3)n2)C1 ZINC000065528362 184360319 /nfs/dbraw/zinc/36/03/19/184360319.db2.gz ARGUHEQIQXKACJ-MRVPVSSYSA-N -1 0 304.331 1.033 50 0 DDAARM CSCC[C@@H](NC(=O)N(C)Cc1nccs1)C(=O)[O-] ZINC000388887253 257242162 /nfs/dbraw/zinc/24/21/62/257242162.db2.gz RGQAGCGBLOYPTK-MRVPVSSYSA-N -1 0 303.409 1.491 50 0 DDAARM Cc1cc2nc(CN(C)Cc3c(C)noc3C)cc(=O)n2[n-]1 ZINC000334159714 257261788 /nfs/dbraw/zinc/26/17/88/257261788.db2.gz XZEKPGXGMXJEGK-UHFFFAOYSA-N -1 0 301.350 1.568 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2coc(-c3ccccc3)n2)CCO1 ZINC000124750271 195674706 /nfs/dbraw/zinc/67/47/06/195674706.db2.gz POPAYQGLHGBBGD-LBPRGKRZSA-N -1 0 316.313 1.657 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000492178152 533244128 /nfs/dbraw/zinc/24/41/28/533244128.db2.gz CHZYMPMGLMSFBP-RYWCDNDXSA-N -1 0 321.329 1.029 50 0 DDAARM Cc1c(NC(=O)/C=C/C(=O)[O-])c(=O)n(C)n1-c1ccccc1 ZINC000000031360 406614122 /nfs/dbraw/zinc/61/41/22/406614122.db2.gz YEKSHRUNXIJUDF-CMDGGOBGSA-N -1 0 301.302 1.064 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)c1 ZINC000000154014 406626256 /nfs/dbraw/zinc/62/62/56/406626256.db2.gz DTHKSDDOGBTWCW-UHFFFAOYSA-N -1 0 322.390 1.058 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000071284283 406836419 /nfs/dbraw/zinc/83/64/19/406836419.db2.gz NWAQMSULAOFQPH-NXEZZACHSA-N -1 0 310.737 1.734 50 0 DDAARM COc1c2c(cc(C[C@@H]3CC(C(=O)[O-])=NO3)c1OC)OCO2 ZINC000012418023 406845928 /nfs/dbraw/zinc/84/59/28/406845928.db2.gz LVKLYCODANKYAS-MRVPVSSYSA-N -1 0 309.274 1.205 50 0 DDAARM COc1ccc(OCC(=O)NCc2ccco2)c(C(=O)[O-])c1 ZINC000013086375 406858657 /nfs/dbraw/zinc/85/86/57/406858657.db2.gz GCVXDPYZNJZDMH-UHFFFAOYSA-N -1 0 305.286 1.682 50 0 DDAARM CS(=O)(=O)[N-]C(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000072275848 406877628 /nfs/dbraw/zinc/87/76/28/406877628.db2.gz OJLOHLBWLFOQNS-UHFFFAOYSA-N -1 0 314.310 1.268 50 0 DDAARM CC(C)c1cccc(NC(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000072313544 406882203 /nfs/dbraw/zinc/88/22/03/406882203.db2.gz VKNLVUSXEYDMSW-UHFFFAOYSA-N -1 0 303.366 1.976 50 0 DDAARM CCS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000019735952 406885994 /nfs/dbraw/zinc/88/59/94/406885994.db2.gz JAYGQEIXBNRNLG-JTQLQIEISA-N -1 0 315.366 1.920 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)CCCCC1 ZINC000071802762 406844511 /nfs/dbraw/zinc/84/45/11/406844511.db2.gz LKVFRAKZHWRDHD-LBPRGKRZSA-N -1 0 308.378 1.149 50 0 DDAARM CCc1nonc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000028249022 406917556 /nfs/dbraw/zinc/91/75/56/406917556.db2.gz WPPGVSVKVPXABB-UHFFFAOYSA-N -1 0 313.335 1.450 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(=O)[nH]nc(C)n3c2)cc1 ZINC000075536522 406934678 /nfs/dbraw/zinc/93/46/78/406934678.db2.gz JTWFANDNDGHDSX-UHFFFAOYSA-N -1 0 318.358 1.440 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000032089467 406944994 /nfs/dbraw/zinc/94/49/94/406944994.db2.gz PGQQPIFEQIFSAX-UHFFFAOYSA-N -1 0 311.253 1.534 50 0 DDAARM O=c1c2c3c(sc2ncn1CCc1nnn[n-]1)CCCCC3 ZINC000032576334 406949426 /nfs/dbraw/zinc/94/94/26/406949426.db2.gz WIVIOTHGKAVTMK-UHFFFAOYSA-N -1 0 316.390 1.483 50 0 DDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccnc2OC)c1 ZINC000047521102 407074885 /nfs/dbraw/zinc/07/48/85/407074885.db2.gz OMUFGDZZXIOWIM-UHFFFAOYSA-N -1 0 324.358 1.908 50 0 DDAARM Cc1ccc2nc(C)c(C(=O)NCCCc3nnn[n-]3)cc2c1 ZINC000055036642 407192684 /nfs/dbraw/zinc/19/26/84/407192684.db2.gz GXBCEPCCUMAVTA-UHFFFAOYSA-N -1 0 310.361 1.727 50 0 DDAARM COc1cc(F)ccc1[C@@H](C(=O)[O-])N(C)Cc1nnc(C)o1 ZINC000095353095 407208324 /nfs/dbraw/zinc/20/83/24/407208324.db2.gz AWWMSTGOQBNZGI-ZDUSSCGKSA-N -1 0 309.297 1.783 50 0 DDAARM COC(=O)C1=C(C)NC(=O)[C@]1([N-]c1nccs1)C(F)(F)F ZINC000100230083 407307675 /nfs/dbraw/zinc/30/76/75/407307675.db2.gz XMUPFZQSBUKPFU-JTQLQIEISA-N -1 0 321.280 1.433 50 0 DDAARM CCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1OC ZINC000101347819 407309215 /nfs/dbraw/zinc/30/92/15/407309215.db2.gz RIMXWXWJEIXQTD-NSHDSACASA-N -1 0 316.317 1.669 50 0 DDAARM Cc1c[nH]c([C@H](C)NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)n1 ZINC000220118324 407538795 /nfs/dbraw/zinc/53/87/95/407538795.db2.gz AAXGTJAZPROSGB-NSHDSACASA-N -1 0 311.345 1.688 50 0 DDAARM CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262737908 407912715 /nfs/dbraw/zinc/91/27/15/407912715.db2.gz HWPNTVGMXUBSJR-LBPRGKRZSA-N -1 0 308.309 1.265 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2cccc(F)c2F)CCO1 ZINC000238193587 407896381 /nfs/dbraw/zinc/89/63/81/407896381.db2.gz QNFSSQGVUDHOKJ-LLVKDONJSA-N -1 0 313.300 1.600 50 0 DDAARM CCn1ccnc1CN1CCC(c2cc(CC(=O)[O-])[nH]n2)CC1 ZINC000243901581 407921750 /nfs/dbraw/zinc/92/17/50/407921750.db2.gz BCXFZIJECFIWLL-UHFFFAOYSA-N -1 0 317.393 1.633 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000263185575 408051253 /nfs/dbraw/zinc/05/12/53/408051253.db2.gz ZXNBUJYULZGYGP-YVEFUNNKSA-N -1 0 321.373 1.748 50 0 DDAARM NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000174761612 407985296 /nfs/dbraw/zinc/98/52/96/407985296.db2.gz JAQMHTABQWEQGS-MRVPVSSYSA-N -1 0 318.782 1.360 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000136121434 408078752 /nfs/dbraw/zinc/07/87/52/408078752.db2.gz PLJBZLFNJBXOMP-SNVBAGLBSA-N -1 0 319.317 1.585 50 0 DDAARM O=C([O-])c1ccc(CC(=O)N(C[C@H]2CCOC2)C2CC2)cc1 ZINC000263303024 408098424 /nfs/dbraw/zinc/09/84/24/408098424.db2.gz DPSCXMDIKHLZNJ-CYBMUJFWSA-N -1 0 303.358 1.955 50 0 DDAARM Cc1cccc(CCNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)n1 ZINC000263352983 408116087 /nfs/dbraw/zinc/11/60/87/408116087.db2.gz QEXKDAIZGZPEJR-DGCLKSJQSA-N -1 0 305.378 1.685 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000269030647 408224739 /nfs/dbraw/zinc/22/47/39/408224739.db2.gz MIOVFBUOBGJWPP-QMMMGPOBSA-N -1 0 318.123 1.358 50 0 DDAARM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@H]2CCOC2)c1 ZINC000263203288 163930231 /nfs/dbraw/zinc/93/02/31/163930231.db2.gz NZXSKPNQKOKZEY-MEDUHNTESA-N -1 0 307.346 1.538 50 0 DDAARM CCc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)[nH]1 ZINC000329595602 410375663 /nfs/dbraw/zinc/37/56/63/410375663.db2.gz IHWCDLZNXVAPPB-UHFFFAOYSA-N -1 0 308.363 1.493 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CCN2C(=O)CCc3ccccc32)C1 ZINC000299743332 410605026 /nfs/dbraw/zinc/60/50/26/410605026.db2.gz NHCMKEBVMCPZJY-CYBMUJFWSA-N -1 0 316.357 1.289 50 0 DDAARM O=C(c1c([O-])cccc1F)N1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299778290 410619943 /nfs/dbraw/zinc/61/99/43/410619943.db2.gz ORHCKXWRVXKBSB-AAEUAGOBSA-N -1 0 318.308 1.109 50 0 DDAARM C[C@@H]1CN(C(=O)[C@H]2CCC(=O)c3ccccc32)C[C@H]1C(=O)[O-] ZINC000263281326 296892561 /nfs/dbraw/zinc/89/25/61/296892561.db2.gz XHWKEJJESAKQMM-DDTOSNHZSA-N -1 0 301.342 1.926 50 0 DDAARM O=C([O-])COCC(=O)NCCNc1ncc(Cl)cc1Cl ZINC000044980400 418436064 /nfs/dbraw/zinc/43/60/64/418436064.db2.gz NPPFBQSLHTYNCS-UHFFFAOYSA-N -1 0 322.148 1.018 50 0 DDAARM NC(=O)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000177478899 221849681 /nfs/dbraw/zinc/84/96/81/221849681.db2.gz OYXRIJPFODLVER-CYBMUJFWSA-N -1 0 310.309 1.614 50 0 DDAARM O=C([O-])C1(Oc2cccc(N3CCOCC3)c2)CCOCC1 ZINC000048081047 418465394 /nfs/dbraw/zinc/46/53/94/418465394.db2.gz GEXFMJWPEVNNDK-UHFFFAOYSA-N -1 0 307.346 1.536 50 0 DDAARM Cc1cc2sc([N-]S(=O)(=O)c3cnn(C)c3)nc2c(C)c1 ZINC000066246934 418486384 /nfs/dbraw/zinc/48/63/84/418486384.db2.gz NGPLZLWZHKNNPT-UHFFFAOYSA-N -1 0 322.415 2.447 50 0 DDAARM O=c1ncnc2n(Cc3nc(C4CCCCC4)no3)[n-]cc1-2 ZINC000101037555 418493451 /nfs/dbraw/zinc/49/34/51/418493451.db2.gz LQNUKVWHAHTNCN-UHFFFAOYSA-N -1 0 300.322 1.550 50 0 DDAARM O=C([O-])c1cnc(C2CCN(C(=O)C[C@@H]3CCOC3)CC2)s1 ZINC000630243087 421985237 /nfs/dbraw/zinc/98/52/37/421985237.db2.gz RNZCULDIELLYRN-JTQLQIEISA-N -1 0 324.402 1.974 50 0 DDAARM Cc1cc(C)c2c(c1)N(C(=O)c1cnc(C(=O)[O-])cn1)CCO2 ZINC000653335938 423443932 /nfs/dbraw/zinc/44/39/32/423443932.db2.gz ZXAXVXHWTFYCRQ-UHFFFAOYSA-N -1 0 313.313 1.831 50 0 DDAARM CC(C)=CCOc1cccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000262520600 278666763 /nfs/dbraw/zinc/66/67/63/278666763.db2.gz QNBBWEYGILXOHZ-OAHLLOKOSA-N -1 0 319.357 1.957 50 0 DDAARM CCn1nc(C)cc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000096427367 288757474 /nfs/dbraw/zinc/75/74/74/288757474.db2.gz NFKDFEPLOAXFEK-OAHLLOKOSA-N -1 0 313.357 1.863 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2ccon2)c(OC)c1 ZINC000095391339 295233293 /nfs/dbraw/zinc/23/32/93/295233293.db2.gz NNJUBXYBAQHNKN-CQSZACIVSA-N -1 0 306.318 1.950 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000269042602 297658547 /nfs/dbraw/zinc/65/85/47/297658547.db2.gz RJNSINGTDXDDQE-NKFCBESUSA-N -1 0 305.330 1.538 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000062913841 300783780 /nfs/dbraw/zinc/78/37/80/300783780.db2.gz ZLTSULZRLJGKQD-WFASDCNBSA-N -1 0 309.749 1.967 50 0 DDAARM Cc1cc(=O)n(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)[n-]1 ZINC000002686743 301066769 /nfs/dbraw/zinc/06/67/69/301066769.db2.gz HXOYDWHJMQALHP-UHFFFAOYSA-N -1 0 302.359 1.651 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000037433715 302739326 /nfs/dbraw/zinc/73/93/26/302739326.db2.gz KRIGQMLFBDUDJL-UHFFFAOYSA-N -1 0 308.363 1.302 50 0 DDAARM NC(=O)c1cc(NC(=O)/C=C\C(=O)[O-])ccc1N1CCCCC1 ZINC000004467691 303340753 /nfs/dbraw/zinc/34/07/53/303340753.db2.gz HJNRJGDZXFPLIQ-SREVYHEPSA-N -1 0 317.345 1.355 50 0 DDAARM CCc1nc(S(=O)(=O)N[C@H](COC)c2ccccn2)c[nH]1 ZINC000534578156 334288425 /nfs/dbraw/zinc/28/84/25/334288425.db2.gz XDZJBHNARHSDRZ-LLVKDONJSA-N -1 0 310.379 1.033 50 0 DDAARM CC[C@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)n1cccc1 ZINC000534641766 334305626 /nfs/dbraw/zinc/30/56/26/334305626.db2.gz ARMGSHHNTJQXDM-CQSZACIVSA-N -1 0 310.361 1.936 50 0 DDAARM O=C([O-])CC1(NC(=O)c2cccc3cccnc32)CCOCC1 ZINC000663123286 484686720 /nfs/dbraw/zinc/68/67/20/484686720.db2.gz WVBWOFYDITVMBI-UHFFFAOYSA-N -1 0 314.341 1.989 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1coc(-c2ccccc2)n1 ZINC000299741646 534539311 /nfs/dbraw/zinc/53/93/11/534539311.db2.gz AARFMWQPYZEJBF-CYBMUJFWSA-N -1 0 316.313 1.196 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)ccc2OC)C1 ZINC000262976907 522892868 /nfs/dbraw/zinc/89/28/68/522892868.db2.gz KJNHAYUPUIYOQZ-HNNXBMFYSA-N -1 0 311.309 1.398 50 0 DDAARM Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccccc2)c1C(N)=O ZINC000095468036 696603027 /nfs/dbraw/zinc/60/30/27/696603027.db2.gz MNYCRPHOPIEJNN-BQYQJAHWSA-N -1 0 306.347 1.230 50 0 DDAARM O=C([O-])c1cnc(N2CCSCC2)nc1-c1cccnc1 ZINC000169751189 697343839 /nfs/dbraw/zinc/34/38/39/697343839.db2.gz NWWCNYKBVSLVNF-UHFFFAOYSA-N -1 0 302.359 1.790 50 0 DDAARM Cc1ccc2c(cc(CN3CCN(CC(=O)[O-])CC3)n2C)c1 ZINC000885939199 749776988 /nfs/dbraw/zinc/77/69/88/749776988.db2.gz URKYQBUOXCKBLH-UHFFFAOYSA-N -1 0 301.390 1.689 50 0 DDAARM CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1N=S(C)(C)=O ZINC000585128832 771960611 /nfs/dbraw/zinc/96/06/11/771960611.db2.gz OLFYWIAMDLDPLD-JTQLQIEISA-N -1 0 320.436 1.822 50 0 DDAARM COc1cccnc1NC(=O)N[C@@H](CCSC)c1nnn[n-]1 ZINC000952881775 775637189 /nfs/dbraw/zinc/63/71/89/775637189.db2.gz HFGALESHCGILRL-QMMMGPOBSA-N -1 0 323.382 1.219 50 0 DDAARM NC(=O)c1cc(F)c(F)cc1[N-]S(=O)(=O)N1CCCCC1 ZINC000451091204 231007570 /nfs/dbraw/zinc/00/75/70/231007570.db2.gz VTZIFKJUAXJUMP-UHFFFAOYSA-N -1 0 319.333 1.206 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc(F)cn2)C[C@H]1C(F)(F)F ZINC000263042132 539275940 /nfs/dbraw/zinc/27/59/40/539275940.db2.gz MBTIUJKCLUYFTL-HTQZYQBOSA-N -1 0 321.230 1.948 50 0 DDAARM O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1n[nH]c(=O)[n-]1 ZINC000095449150 185368486 /nfs/dbraw/zinc/36/84/86/185368486.db2.gz NYKMUZIVGLGQFU-UHFFFAOYSA-N -1 0 318.724 1.661 50 0 DDAARM Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1F ZINC000072079297 191034628 /nfs/dbraw/zinc/03/46/28/191034628.db2.gz UPLDONQGMQNVDR-LBPRGKRZSA-N -1 0 315.366 1.763 50 0 DDAARM Cc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000072239193 191082500 /nfs/dbraw/zinc/08/25/00/191082500.db2.gz VLTACFSVKPIFAY-UHFFFAOYSA-N -1 0 322.390 1.672 50 0 DDAARM Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)cn1 ZINC000072265351 191089335 /nfs/dbraw/zinc/08/93/35/191089335.db2.gz FQVNJXLVZUAVNC-UHFFFAOYSA-N -1 0 320.374 1.130 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000225587758 186280482 /nfs/dbraw/zinc/28/04/82/186280482.db2.gz VHYMMNZURCYPDR-UHFFFAOYSA-N -1 0 305.327 1.320 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000262907495 186323244 /nfs/dbraw/zinc/32/32/44/186323244.db2.gz ILVBEAQPHAYOOC-ZQIUZPCESA-N -1 0 315.369 1.876 50 0 DDAARM CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000000034475 180673136 /nfs/dbraw/zinc/67/31/36/180673136.db2.gz GGXQUHCKQXDDGR-VIFPVBQESA-N -1 0 315.376 1.079 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2cccnc2)no1 ZINC000072401727 191150900 /nfs/dbraw/zinc/15/09/00/191150900.db2.gz FNOAIABCVNCUHA-MNOVXSKESA-N -1 0 316.317 1.105 50 0 DDAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000000271816 180744309 /nfs/dbraw/zinc/74/43/09/180744309.db2.gz VIBKQPVIIPWFQU-VMPITWQZSA-N -1 0 307.327 1.856 50 0 DDAARM CCN(C)S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000072760641 191226668 /nfs/dbraw/zinc/22/66/68/191226668.db2.gz URHLOMYNUFJMER-UHFFFAOYSA-N -1 0 300.380 1.657 50 0 DDAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccc2c(c1)OCO2 ZINC000004248963 181087758 /nfs/dbraw/zinc/08/77/58/181087758.db2.gz ZTOHXILPBTWPJK-UHFFFAOYSA-N -1 0 306.303 1.037 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000004294534 181093628 /nfs/dbraw/zinc/09/36/28/181093628.db2.gz IQLHRFVHVIEJGI-UHFFFAOYSA-N -1 0 315.395 1.005 50 0 DDAARM CC[C@@H](SC1=Nc2ccccc2S(=O)(=O)[N-]1)C(=O)OC ZINC000004329636 181098628 /nfs/dbraw/zinc/09/86/28/181098628.db2.gz GJJAVIFJZAHZGW-SECBINFHSA-N -1 0 314.388 1.842 50 0 DDAARM CCC(=O)[N-]S(=O)(=O)c1ccc(C)cc1Br ZINC000193631862 354291792 /nfs/dbraw/zinc/29/17/92/354291792.db2.gz KNRRURGNAADODU-UHFFFAOYSA-N -1 0 306.181 1.972 50 0 DDAARM COc1cccc(C=C2SC(=O)NC2=O)c1O[C@@H](C)C(=O)[O-] ZINC000004743034 181146147 /nfs/dbraw/zinc/14/61/47/181146147.db2.gz LYYBMSNYYPCRJF-FSEMZKDTSA-N -1 0 323.326 1.871 50 0 DDAARM Cc1nc2c3ccccc3oc2c(N[C@H](C(=O)[O-])[C@@H](C)O)n1 ZINC000005215425 181217558 /nfs/dbraw/zinc/21/75/58/181217558.db2.gz JLARVDCFFCLLEY-HQJQHLMTSA-N -1 0 301.302 1.930 50 0 DDAARM COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@H](C)C(=O)[O-])cc1 ZINC000237293159 202220667 /nfs/dbraw/zinc/22/06/67/202220667.db2.gz SCCOBKKJXHXJQB-JTQLQIEISA-N -1 0 317.345 1.878 50 0 DDAARM Cc1cnn(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000237908057 202387100 /nfs/dbraw/zinc/38/71/00/202387100.db2.gz OVUHGQGRDPVNTM-IHRRRGAJSA-N -1 0 305.378 1.826 50 0 DDAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCOC1 ZINC000238121967 202443262 /nfs/dbraw/zinc/44/32/62/202443262.db2.gz TZBCWKSZAWGSPA-LLVKDONJSA-N -1 0 313.300 1.805 50 0 DDAARM COc1ccccc1/C(C)=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000221920554 201596943 /nfs/dbraw/zinc/59/69/43/201596943.db2.gz SWDNJRUGYYJFMQ-SUIFULHWSA-N -1 0 319.357 1.801 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000262632586 203358181 /nfs/dbraw/zinc/35/81/81/203358181.db2.gz OQNSRWAMQIQYFI-KGLIPLIRSA-N -1 0 316.357 1.146 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000262662845 203371605 /nfs/dbraw/zinc/37/16/05/203371605.db2.gz UTQRGCXUSJHVLW-KBPBESRZSA-N -1 0 316.357 1.128 50 0 DDAARM C[C@@H](CNC(=O)c1cnc(Nc2ccccc2)nc1)C(=O)[O-] ZINC000095356140 193428320 /nfs/dbraw/zinc/42/83/20/193428320.db2.gz GYWJDNFYSZPZLW-JTQLQIEISA-N -1 0 300.318 1.671 50 0 DDAARM Cc1ccccc1C[C@@H](CNC(=O)[C@@]1(C)CCCO1)C(=O)[O-] ZINC000095970674 193467281 /nfs/dbraw/zinc/46/72/81/193467281.db2.gz OWOQSXSNOMZUJR-WMLDXEAASA-N -1 0 305.374 1.924 50 0 DDAARM Cn1nc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])ccc1=O ZINC000008266970 181541790 /nfs/dbraw/zinc/54/17/90/181541790.db2.gz VIGJGZVVBMWUAZ-UHFFFAOYSA-N -1 0 307.693 1.384 50 0 DDAARM CC(C)C[C@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000009550236 181629434 /nfs/dbraw/zinc/62/94/34/181629434.db2.gz OFPHYNUKDPHRPT-NSHDSACASA-N -1 0 313.375 1.319 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2)c1 ZINC000021810693 182292134 /nfs/dbraw/zinc/29/21/34/182292134.db2.gz SVWUPJBTWKNLLX-UHFFFAOYSA-N -1 0 306.705 1.839 50 0 DDAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000032917402 182680220 /nfs/dbraw/zinc/68/02/20/182680220.db2.gz BIJPYEGILDRZEE-GRYCIOLGSA-N -1 0 304.412 1.006 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2csc(Br)c2)CCO1 ZINC000043701968 183381672 /nfs/dbraw/zinc/38/16/72/183381672.db2.gz RVZVSLLYCJDFMK-SSDOTTSWSA-N -1 0 320.164 1.436 50 0 DDAARM Cc1nnnn1-c1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000061721798 184185854 /nfs/dbraw/zinc/18/58/54/184185854.db2.gz HPMSOGMTZQIJAR-NWDGAFQWSA-N -1 0 315.333 1.266 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000269135207 207266549 /nfs/dbraw/zinc/26/65/49/207266549.db2.gz CWWXNDUTMNQNPO-FRRDWIJNSA-N -1 0 317.341 1.494 50 0 DDAARM CCN1CCn2cc(S(=O)(=O)[N-]c3ccccc3)cc2C1=O ZINC000065254747 184318735 /nfs/dbraw/zinc/31/87/35/184318735.db2.gz CXQVNWFBMNKOSR-UHFFFAOYSA-N -1 0 319.386 1.765 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269209500 207326711 /nfs/dbraw/zinc/32/67/11/207326711.db2.gz VEWNOODWDBTAOX-WCQYABFASA-N -1 0 307.346 1.533 50 0 DDAARM COc1cccc(OC)c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269418332 207527289 /nfs/dbraw/zinc/52/72/89/207527289.db2.gz YVHHKTRVAQOFNW-SNVBAGLBSA-N -1 0 309.318 1.020 50 0 DDAARM O=C1[N-]C(=O)/C(=C/c2cc3c(cc2Br)OCO3)N1 ZINC000014011255 296356201 /nfs/dbraw/zinc/35/62/01/296356201.db2.gz SHIUIRCHXDVEPW-XFSBKJJWSA-N -1 0 311.091 1.358 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C1(C(=O)[O-])CC1 ZINC000154761581 196990611 /nfs/dbraw/zinc/99/06/11/196990611.db2.gz UIKKMCPHUYTMED-UHFFFAOYSA-N -1 0 313.357 1.970 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2cccnc2)C[C@H]1C(=O)[O-] ZINC000072343577 256545437 /nfs/dbraw/zinc/54/54/37/256545437.db2.gz FLFIIHVTTWZCIV-LBPRGKRZSA-N -1 0 307.350 1.592 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)coc2c1 ZINC000237871217 257237538 /nfs/dbraw/zinc/23/75/38/257237538.db2.gz WNACKVSPGHEVJV-CQSZACIVSA-N -1 0 303.314 1.596 50 0 DDAARM COC[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CCO1 ZINC000492143326 533371940 /nfs/dbraw/zinc/37/19/40/533371940.db2.gz XIHOMJQMFNVGPY-ZBKLQPJUSA-N -1 0 305.330 1.272 50 0 DDAARM COc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000000258674 406635734 /nfs/dbraw/zinc/63/57/34/406635734.db2.gz GCRRVEIEYIYHOR-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 biogenic DDAARM CN1C(=O)[N-]C(=O)/C(=C\c2ccc(Br)s2)C1=O ZINC000000085955 406621239 /nfs/dbraw/zinc/62/12/39/406621239.db2.gz WXNBSXSVXDBKCQ-GQCTYLIASA-N -1 0 315.148 1.602 50 0 DDAARM COc1cccc2c1c(NC(=O)CSCC(=O)[O-])nn2C ZINC000000147660 406626714 /nfs/dbraw/zinc/62/67/14/406626714.db2.gz IELKZWFEYZLWRF-UHFFFAOYSA-N -1 0 309.347 1.338 50 0 DDAARM COc1cc(C=O)ccc1OC(=O)C[C@@H]1SC(=O)[N-]C1=O ZINC000001146162 406666745 /nfs/dbraw/zinc/66/67/45/406666745.db2.gz IKPLJOVMBUSYKY-JTQLQIEISA-N -1 0 309.299 1.155 50 0 DDAARM CCCCCOC(=O)[C@@H](CC)Sc1n[nH]c(=O)[n-]c1=O ZINC000001799353 406678301 /nfs/dbraw/zinc/67/83/01/406678301.db2.gz CDTPCQIIDWZHNJ-MRVPVSSYSA-N -1 0 301.368 1.062 50 0 DDAARM CC(C)Oc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000008566896 406789365 /nfs/dbraw/zinc/78/93/65/406789365.db2.gz RXEKXIJDWDQICQ-UHFFFAOYSA-N -1 0 320.374 1.683 50 0 DDAARM Cc1ccc2c(N)c(C(=O)N3CCC[C@@H]3C(=O)[O-])sc2n1 ZINC000008783638 406797018 /nfs/dbraw/zinc/79/70/18/406797018.db2.gz HDUVMUHMMQPXOZ-SECBINFHSA-N -1 0 305.359 1.876 50 0 DDAARM Cn1c2ccc(S(=O)(=O)[N-]c3nccs3)cc2n(C)c1=O ZINC000011615510 406828586 /nfs/dbraw/zinc/82/85/86/406828586.db2.gz NPLOSWVEMFTVDR-UHFFFAOYSA-N -1 0 324.387 1.134 50 0 DDAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000011923789 406831532 /nfs/dbraw/zinc/83/15/32/406831532.db2.gz CCPAIAVFQLQPNO-UHFFFAOYSA-N -1 0 308.363 1.488 50 0 DDAARM O=C([O-])C1(NC(=O)Cc2ccc3c(c2)OCCO3)CCCCC1 ZINC000012771522 406853190 /nfs/dbraw/zinc/85/31/90/406853190.db2.gz RVLMGUMJNWXQAY-UHFFFAOYSA-N -1 0 319.357 1.904 50 0 DDAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)cc1C ZINC000022584978 406890942 /nfs/dbraw/zinc/89/09/42/406890942.db2.gz MYMNOJVNYMCIJQ-HNNXBMFYSA-N -1 0 319.405 1.333 50 0 DDAARM CN(Cc1ccc(Cl)s1)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000035301302 406971371 /nfs/dbraw/zinc/97/13/71/406971371.db2.gz MLTKKOOZHUMUNS-JTQLQIEISA-N -1 0 316.810 1.909 50 0 DDAARM CCNC(=O)C1CCN(c2nc3[n-]cnc(=O)c3s2)CC1 ZINC000035463037 406973531 /nfs/dbraw/zinc/97/35/31/406973531.db2.gz CGRFOZLCWICRFE-UHFFFAOYSA-N -1 0 307.379 1.144 50 0 DDAARM O=C([O-])[C@H](Sc1nc2[nH]cnc2c(=O)[nH]1)c1ccccc1 ZINC000033324845 406960492 /nfs/dbraw/zinc/96/04/92/406960492.db2.gz ATSRCWNWYPNJJH-SECBINFHSA-N -1 0 302.315 1.564 50 0 DDAARM Cc1ccc(N2CCN(C(=O)/C=C/C(=O)[O-])CC2)cc1Cl ZINC000044124550 407020707 /nfs/dbraw/zinc/02/07/07/407020707.db2.gz YTXUTJYCKQDHBV-SNAWJCMRSA-N -1 0 308.765 1.938 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 ZINC000037417512 406988762 /nfs/dbraw/zinc/98/87/62/406988762.db2.gz HFOIOMSKHOFDDL-UHFFFAOYSA-N -1 0 301.339 1.452 50 0 DDAARM CC[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccccc1OC ZINC000089947929 407162253 /nfs/dbraw/zinc/16/22/53/407162253.db2.gz WKZAOIBBUGUAFV-GFCCVEGCSA-N -1 0 317.345 1.225 50 0 DDAARM Cc1ccc([C@H](C(=O)NC2(C(=O)[O-])CCOCC2)N(C)C)cc1 ZINC000095498798 407214278 /nfs/dbraw/zinc/21/42/78/407214278.db2.gz VWDZXYUJYXFPJE-CQSZACIVSA-N -1 0 320.389 1.348 50 0 DDAARM Cc1nc(C2([N-]S(=O)(=O)c3c(C)noc3C)CCC2)no1 ZINC000095953815 407216892 /nfs/dbraw/zinc/21/68/92/407216892.db2.gz NUDPLTYUKCJAMC-UHFFFAOYSA-N -1 0 312.351 1.341 50 0 DDAARM C[C@@H](CN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)[O-] ZINC000095970489 407218523 /nfs/dbraw/zinc/21/85/23/407218523.db2.gz HPNFVWVSYQBBMV-NWDGAFQWSA-N -1 0 322.361 1.311 50 0 DDAARM O=S(=O)(Cc1ccn(-c2c(F)cccc2F)n1)c1ncc[n-]1 ZINC000095972968 407219768 /nfs/dbraw/zinc/21/97/68/407219768.db2.gz CXXDEDWFSDEGKV-UHFFFAOYSA-N -1 0 324.312 1.848 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000096001689 407222310 /nfs/dbraw/zinc/22/23/10/407222310.db2.gz BKHZPAXYNLZOOZ-UHFFFAOYSA-N -1 0 300.340 1.773 50 0 DDAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCCSCC1 ZINC000063760784 407235510 /nfs/dbraw/zinc/23/55/10/407235510.db2.gz HFCALCKXOXJSJT-UHFFFAOYSA-N -1 0 321.427 1.791 50 0 DDAARM CCOc1c(OC)cccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675158 407314341 /nfs/dbraw/zinc/31/43/41/407314341.db2.gz KKJANBPEEYXEMY-SNVBAGLBSA-N -1 0 317.305 1.064 50 0 DDAARM O=C([O-])Cn1nc(C2CCOCC2)nc1-c1ccc(CO)o1 ZINC000097087871 407279638 /nfs/dbraw/zinc/27/96/38/407279638.db2.gz CGJOSHYBCRIMDE-UHFFFAOYSA-N -1 0 307.306 1.009 50 0 DDAARM CC(C)n1cc(S(=O)(=O)[N-]c2nnc(C3CCC3)[nH]2)cn1 ZINC000097143793 407283343 /nfs/dbraw/zinc/28/33/43/407283343.db2.gz QMKPYXSUYQLLHV-UHFFFAOYSA-N -1 0 310.383 1.650 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2nn(C)c3c2CCCC3)C[C@H]1C(=O)[O-] ZINC000097759395 407302175 /nfs/dbraw/zinc/30/21/75/407302175.db2.gz KNSXWUBXASRKTE-DGCLKSJQSA-N -1 0 319.405 1.872 50 0 DDAARM Cn1c2ccccc2c([O-])c(C(=O)NC[C@H]2CCCO2)c1=O ZINC000100462684 407307942 /nfs/dbraw/zinc/30/79/42/407307942.db2.gz MWZQTTVAXBDOEL-SNVBAGLBSA-N -1 0 302.330 1.153 50 0 DDAARM Cc1cnn(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000195542641 407465665 /nfs/dbraw/zinc/46/56/65/407465665.db2.gz RBCNAKZOTNVHOX-AWEZNQCLSA-N -1 0 301.346 1.394 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(c3ccccc3)=NO2)o1 ZINC000170656568 407469035 /nfs/dbraw/zinc/46/90/35/407469035.db2.gz DBDPZZIPNGTNEH-CQSZACIVSA-N -1 0 314.297 1.787 50 0 DDAARM COc1ccccc1S(=O)(=O)[N-]c1ccnc(N(C)C)n1 ZINC000170609098 407450592 /nfs/dbraw/zinc/45/05/92/407450592.db2.gz NDJWLEVFXFAVHQ-UHFFFAOYSA-N -1 0 308.363 1.352 50 0 DDAARM Cc1nc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c[nH]1 ZINC000170640763 407461410 /nfs/dbraw/zinc/46/14/10/407461410.db2.gz ZAMAWNVRDRLEPE-SNVBAGLBSA-N -1 0 321.358 1.485 50 0 DDAARM CN(CC(=O)[O-])C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000237134103 407801006 /nfs/dbraw/zinc/80/10/06/407801006.db2.gz FBIHVNJLQWPBKI-UHFFFAOYSA-N -1 0 311.765 1.931 50 0 DDAARM CC(=O)[N-]S(=O)(=O)N1CCc2c1cccc2C(F)(F)F ZINC000133772473 407868914 /nfs/dbraw/zinc/86/89/14/407868914.db2.gz SYQFQIYOXQYWBF-UHFFFAOYSA-N -1 0 308.281 1.449 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)CCO1 ZINC000238058592 407880863 /nfs/dbraw/zinc/88/08/63/407880863.db2.gz SLLFQNBIZZJERK-VIFPVBQESA-N -1 0 321.358 1.454 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1csc(-c2ncccn2)n1 ZINC000238088160 407886635 /nfs/dbraw/zinc/88/66/35/407886635.db2.gz OHTRQRSMYMIRRL-SECBINFHSA-N -1 0 304.331 1.289 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)C1 ZINC000238099153 407888742 /nfs/dbraw/zinc/88/87/42/407888742.db2.gz HUDFZFXRACQYRS-ZDUSSCGKSA-N -1 0 316.357 1.750 50 0 DDAARM COC(C)(C)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000262821062 407947449 /nfs/dbraw/zinc/94/74/49/407947449.db2.gz ANRDIUJABFRHII-SECBINFHSA-N -1 0 308.334 1.253 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1csc([C@@H]2CCCO2)n1 ZINC000262901323 407965892 /nfs/dbraw/zinc/96/58/92/407965892.db2.gz MGRHLLUJHQXCKC-YWVKMMECSA-N -1 0 310.375 1.978 50 0 DDAARM COc1ccccc1N1CCC(NC(=O)[C@H](C)C(=O)[O-])CC1 ZINC000263097667 408024000 /nfs/dbraw/zinc/02/40/00/408024000.db2.gz JNZDQKNLPAADCZ-NSHDSACASA-N -1 0 306.362 1.501 50 0 DDAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136475744 408107535 /nfs/dbraw/zinc/10/75/35/408107535.db2.gz YQXLSMUSTAGJEH-MRVPVSSYSA-N -1 0 321.362 1.316 50 0 DDAARM Cc1nnc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)s1 ZINC000263488871 408153153 /nfs/dbraw/zinc/15/31/53/408153153.db2.gz NVRUBBCBZMBGRL-PHDIDXHHSA-N -1 0 324.284 1.573 50 0 DDAARM O=C(CS(=O)(=O)c1ncc[n-]1)Nc1ccc(F)cc1Cl ZINC000172881176 162309287 /nfs/dbraw/zinc/30/92/87/162309287.db2.gz CGJPAKQBVVPHSV-UHFFFAOYSA-N -1 0 317.729 1.615 50 0 DDAARM C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000252476944 408795867 /nfs/dbraw/zinc/79/58/67/408795867.db2.gz FFPXNBSKWKKXNN-CYZMBNFOSA-N -1 0 310.394 1.441 50 0 DDAARM O=C([O-])COc1ccc(Cl)cc1C[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000252505812 408802329 /nfs/dbraw/zinc/80/23/29/408802329.db2.gz VTXGUWRHMKQZHZ-VIFPVBQESA-N -1 0 313.737 1.710 50 0 DDAARM COc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)c(F)c1 ZINC000317889946 409870556 /nfs/dbraw/zinc/87/05/56/409870556.db2.gz JFGTZDNCUXENRH-UHFFFAOYSA-N -1 0 311.309 1.446 50 0 DDAARM O=c1c2ccccc2[n-]c(=S)n1CCCO[C@@H]1CCOC1 ZINC000129459370 196050832 /nfs/dbraw/zinc/05/08/32/196050832.db2.gz IMYXPQUTBZOHOH-LLVKDONJSA-N -1 0 306.387 1.881 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)Cc2ccc3c(c2)CCC3)n1 ZINC000647782519 423046522 /nfs/dbraw/zinc/04/65/22/423046522.db2.gz QNJIUAUOJGCKGZ-UHFFFAOYSA-N -1 0 300.318 1.033 50 0 DDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC(F)(F)F ZINC000044612147 418429602 /nfs/dbraw/zinc/42/96/02/418429602.db2.gz HNNBGBWZUIVKSX-UHFFFAOYSA-N -1 0 305.281 1.895 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000044979025 418435512 /nfs/dbraw/zinc/43/55/12/418435512.db2.gz OJYNSMBMKIRMQY-ZDUSSCGKSA-N -1 0 313.357 1.922 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccc(Cl)nc1)c1ccccc1 ZINC000049514999 418478821 /nfs/dbraw/zinc/47/88/21/418478821.db2.gz SEXSSYPAIDOBOD-UHFFFAOYSA-N -1 0 310.762 1.995 50 0 DDAARM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(c2ccccc2)CCC1 ZINC000101004879 418493356 /nfs/dbraw/zinc/49/33/56/418493356.db2.gz HWOQGXYYLXGPMF-UHFFFAOYSA-N -1 0 323.356 1.267 50 0 DDAARM Cc1nn2c([n-]1)nc(C)c(CCC(=O)Nc1cccnc1)c2=O ZINC000103320121 418496378 /nfs/dbraw/zinc/49/63/78/418496378.db2.gz FCLWZCADKKKXMD-UHFFFAOYSA-N -1 0 312.333 1.001 50 0 DDAARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1cnc(C(C)(C)C)s1 ZINC000113699250 418501645 /nfs/dbraw/zinc/50/16/45/418501645.db2.gz PSKNTYJRFUGSGY-MRVPVSSYSA-N -1 0 320.436 1.535 50 0 DDAARM C[C@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)[C@@H]1C(=O)[O-] ZINC000332658997 299831353 /nfs/dbraw/zinc/83/13/53/299831353.db2.gz WKKHYRKSAUTRCH-HZMBPMFUSA-N -1 0 301.346 1.899 50 0 DDAARM O=C([O-])c1ccccc1Cn1nnn(-c2cccs2)c1=O ZINC000048373930 418471333 /nfs/dbraw/zinc/47/13/33/418471333.db2.gz YEJIKIQOOPXXEA-UHFFFAOYSA-N -1 0 302.315 1.237 50 0 DDAARM COc1cccc(CC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000360872464 418537613 /nfs/dbraw/zinc/53/76/13/418537613.db2.gz MDNZTOSKKAMRNW-GFCCVEGCSA-N -1 0 301.350 1.157 50 0 DDAARM CC(C)(C)NC(=O)CN1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426507816 419494126 /nfs/dbraw/zinc/49/41/26/419494126.db2.gz BPNJWAMXFBBQHZ-GFCCVEGCSA-N -1 0 322.409 1.062 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nncn2C2CCCCC2)C1 ZINC000426392826 419457692 /nfs/dbraw/zinc/45/76/92/419457692.db2.gz ONBYJGQZCRRWEB-NWDGAFQWSA-N -1 0 320.393 1.900 50 0 DDAARM CCO/C=C\[C@](O)(CN=c1nc(CC)[n-]s1)C(F)(F)F ZINC000606444204 422459999 /nfs/dbraw/zinc/45/99/99/422459999.db2.gz SRAJSVLPOHQUJC-OMMCCPJFSA-N -1 0 311.329 1.778 50 0 DDAARM CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000426500071 278140002 /nfs/dbraw/zinc/14/00/02/278140002.db2.gz IQYCDCIZNWKMGM-KBPBESRZSA-N -1 0 306.362 1.479 50 0 DDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCC2(CC1)OCCO2 ZINC000002527614 278424780 /nfs/dbraw/zinc/42/47/80/278424780.db2.gz VQEUODXDPTZPSA-UHFFFAOYSA-N -1 0 301.339 1.652 50 0 DDAARM CC(C)(C)[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000140165393 278490686 /nfs/dbraw/zinc/49/06/86/278490686.db2.gz CVRNXVMJALMUHB-ZDUSSCGKSA-N -1 0 304.346 1.800 50 0 DDAARM CN1CCN(C(=O)C2(c3ccccc3F)CC2)C[C@H]1C(=O)[O-] ZINC000067692294 290008117 /nfs/dbraw/zinc/00/81/17/290008117.db2.gz DDAIRVWRJBKVGO-ZDUSSCGKSA-N -1 0 306.337 1.085 50 0 DDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cccc(OC(C)C)n2)C1 ZINC000263024907 293873331 /nfs/dbraw/zinc/87/33/31/293873331.db2.gz MIYPJDDMCFEEQG-NWDGAFQWSA-N -1 0 322.361 1.573 50 0 DDAARM O=C([O-])[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CCO1 ZINC000534646748 334306937 /nfs/dbraw/zinc/30/69/37/334306937.db2.gz IKLLARSWIRCOCU-AWEZNQCLSA-N -1 0 305.309 1.297 50 0 DDAARM C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000083888594 483986075 /nfs/dbraw/zinc/98/60/75/483986075.db2.gz IACZAPQHUMCRKB-AAEUAGOBSA-N -1 0 302.330 1.649 50 0 DDAARM COc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000492141842 533942234 /nfs/dbraw/zinc/94/22/34/533942234.db2.gz SZECDVVWZBAEBB-VOTSOKGWSA-N -1 0 319.357 1.801 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)CCO1 ZINC000299745265 534525062 /nfs/dbraw/zinc/52/50/62/534525062.db2.gz XHRBPGKKVJQEAW-HNNXBMFYSA-N -1 0 316.357 1.803 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)CCO1 ZINC000299753045 534537802 /nfs/dbraw/zinc/53/78/02/534537802.db2.gz WQPCANWZHGRLHF-BXUZGUMPSA-N -1 0 305.330 1.255 50 0 DDAARM COC(=O)N1CCCc2cc(NC(=O)COCC(=O)[O-])ccc21 ZINC000006668252 536426461 /nfs/dbraw/zinc/42/64/61/536426461.db2.gz OSIDQEGSVJXGHN-UHFFFAOYSA-N -1 0 322.317 1.245 50 0 DDAARM Cc1cc2nc(CN3CCO[C@H](C(F)(F)F)C3)cc(=O)n2[n-]1 ZINC000071750112 696392547 /nfs/dbraw/zinc/39/25/47/696392547.db2.gz APRFSEZTIBMYSM-JTQLQIEISA-N -1 0 316.283 1.094 50 0 DDAARM CCCNC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000075476412 696421190 /nfs/dbraw/zinc/42/11/90/696421190.db2.gz HVXLPKYJSXLBGM-UHFFFAOYSA-N -1 0 308.363 1.350 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)c1cnn(C2CCOCC2)c1C ZINC000190781585 697596022 /nfs/dbraw/zinc/59/60/22/697596022.db2.gz YWKZRCQCUQCYND-UHFFFAOYSA-N -1 0 309.366 1.480 50 0 DDAARM C[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)n1cnc2ccccc21 ZINC000322670677 698736151 /nfs/dbraw/zinc/73/61/51/698736151.db2.gz DNBDBKCTELNZTA-NSHDSACASA-N -1 0 317.345 1.347 50 0 DDAARM CCO[C@@H]1C[C@H](NC(=O)c2ccsc2CC(=O)[O-])[C@H]1OC ZINC000888097229 709212706 /nfs/dbraw/zinc/21/27/06/709212706.db2.gz FPIJRKWAWULNBK-OPQQBVKSSA-N -1 0 313.375 1.297 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c(C)c1 ZINC000926608940 715096633 /nfs/dbraw/zinc/09/66/33/715096633.db2.gz NITVUSGXSJKVBZ-DOMZBBRYSA-N -1 0 309.387 1.931 50 0 DDAARM Cn1nc([C@@H]2CCCN(C(=O)O[C@H]3CCOC3)C2)cc1C(=O)[O-] ZINC000952994246 721534679 /nfs/dbraw/zinc/53/46/79/721534679.db2.gz YDLLLQJMSBWAJA-MNOVXSKESA-N -1 0 323.349 1.223 50 0 DDAARM Cc1ccccc1-n1cc(CN2CCO[C@H](C(=O)[O-])C2)cn1 ZINC000828488901 759652359 /nfs/dbraw/zinc/65/23/59/759652359.db2.gz RDTAWXLSQBHPOX-HNNXBMFYSA-N -1 0 301.346 1.466 50 0 DDAARM O=C(N=c1nc(-c2cccnc2Cl)[n-]s1)[C@@H]1CCCO1 ZINC000585124957 771955949 /nfs/dbraw/zinc/95/59/49/771955949.db2.gz BDZYTZKHOJMRAS-QMMMGPOBSA-N -1 0 310.766 1.793 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2cccnc2Cl)c1 ZINC000095471813 185372743 /nfs/dbraw/zinc/37/27/43/185372743.db2.gz FHJCBPVCRFIADU-UHFFFAOYSA-N -1 0 307.693 1.234 50 0 DDAARM COC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1[O-] ZINC000095682042 185383163 /nfs/dbraw/zinc/38/31/63/185383163.db2.gz WTLMSGGYGXMVQD-UHFFFAOYSA-N -1 0 314.219 1.744 50 0 DDAARM CCN(CC)C(=O)[C@@H](c1ccccc1)S(=O)(=O)c1ncc[n-]1 ZINC000078818961 185114695 /nfs/dbraw/zinc/11/46/95/185114695.db2.gz SKHXRLAVRUYFAN-CYBMUJFWSA-N -1 0 321.402 1.793 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)ccc1F ZINC000079102237 185158553 /nfs/dbraw/zinc/15/85/53/185158553.db2.gz LFEAFNZRWXACLT-UHFFFAOYSA-N -1 0 307.310 1.373 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000088374756 185247584 /nfs/dbraw/zinc/24/75/84/185247584.db2.gz LBWJFZRHBJTVRJ-JTQLQIEISA-N -1 0 324.383 1.797 50 0 DDAARM COc1ccccc1/C=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000095403626 185355150 /nfs/dbraw/zinc/35/51/50/185355150.db2.gz HMNPLEZOEFBTIQ-KTRBRXNASA-N -1 0 305.330 1.411 50 0 DDAARM Cc1c(C(=O)NCCc2ccc(OCC(=O)[O-])cc2)cnn1C ZINC000095425567 185361638 /nfs/dbraw/zinc/36/16/38/185361638.db2.gz UIGVPVIQDWLWHF-UHFFFAOYSA-N -1 0 317.345 1.164 50 0 DDAARM Cc1cc(Br)oc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000095425596 185361688 /nfs/dbraw/zinc/36/16/88/185361688.db2.gz SITCVIGABNVKIW-LLVKDONJSA-N -1 0 320.114 1.989 50 0 DDAARM Cc1ccc(C(=O)NCc2nc(=O)o[n-]2)c(Br)c1 ZINC000097032080 185399545 /nfs/dbraw/zinc/39/95/45/185399545.db2.gz ZFNMKKDTVWLVTI-UHFFFAOYSA-N -1 0 312.123 1.776 50 0 DDAARM CN(CC(=O)[O-])C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000299746998 529839994 /nfs/dbraw/zinc/83/99/94/529839994.db2.gz BTZVGCFQELFNKO-UHFFFAOYSA-N -1 0 320.326 1.695 50 0 DDAARM CCc1ccccc1C(=O)N1C[C@@H](C(=O)NC)CC[C@H]1C(=O)[O-] ZINC000685941024 539565611 /nfs/dbraw/zinc/56/56/11/539565611.db2.gz OBWRWPYNVAAEGO-JSGCOSHPSA-N -1 0 318.373 1.300 50 0 DDAARM CC(C)(NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000236683918 201964622 /nfs/dbraw/zinc/96/46/22/201964622.db2.gz DGIBHGHESHHHSQ-UHFFFAOYSA-N -1 0 304.346 1.402 50 0 DDAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cnn(C)c2)cc1 ZINC000072277076 191098759 /nfs/dbraw/zinc/09/87/59/191098759.db2.gz WYKJOVLUAMDXKO-HNNXBMFYSA-N -1 0 315.373 1.993 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cnc(C)cn2)cc1 ZINC000072293252 191110121 /nfs/dbraw/zinc/11/01/21/191110121.db2.gz HVRACOHAXLAVDX-ZDUSSCGKSA-N -1 0 315.329 1.739 50 0 DDAARM COc1ccc(CC(=O)n2[n-]c(=O)cc(C)c2=O)cc1OC ZINC000000031951 180672641 /nfs/dbraw/zinc/67/26/41/180672641.db2.gz RDKXSXPYXYESQS-UHFFFAOYSA-N -1 0 304.302 1.157 50 0 DDAARM O=C([O-])CCC(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000000153451 180710642 /nfs/dbraw/zinc/71/06/42/180710642.db2.gz VNZRUVRYEKLZAR-UHFFFAOYSA-N -1 0 307.327 1.773 50 0 DDAARM CC[C@@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000048547182 352542322 /nfs/dbraw/zinc/54/23/22/352542322.db2.gz GFHCNJQXUUGIFH-CMPLNLGQSA-N -1 0 308.334 1.281 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003268031 180998667 /nfs/dbraw/zinc/99/86/67/180998667.db2.gz GZEXLSPVDWIRGE-SNVBAGLBSA-N -1 0 323.823 1.825 50 0 DDAARM COC(=O)CN1C(=O)S/C(=C/c2ccc(C(=O)[O-])cc2)C1=O ZINC000004694712 291083094 /nfs/dbraw/zinc/08/30/94/291083094.db2.gz JTBONPANRRQYMI-UXBLZVDNSA-N -1 0 321.310 1.594 50 0 DDAARM CCn1nc(C)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1Cl ZINC000236965376 202097787 /nfs/dbraw/zinc/09/77/87/202097787.db2.gz RDHIBFDHTJJIRO-SECBINFHSA-N -1 0 315.757 1.181 50 0 DDAARM CCOCc1ccccc1CNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000236985005 202108746 /nfs/dbraw/zinc/10/87/46/202108746.db2.gz CICSJXYIPHUWIF-OAHLLOKOSA-N -1 0 320.389 1.388 50 0 DDAARM O=c1cc(Cc2n[n-]c(=S)n2-c2ccc(F)cc2)[nH]c(=O)[nH]1 ZINC000005903941 181294224 /nfs/dbraw/zinc/29/42/24/181294224.db2.gz NTYKVBNFKZBTSL-UHFFFAOYSA-N -1 0 319.321 1.036 50 0 DDAARM Cc1noc(CCCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000237633210 202312810 /nfs/dbraw/zinc/31/28/10/202312810.db2.gz TXQLTQSLFOEDEX-GFCCVEGCSA-N -1 0 309.366 1.947 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)NCCCC(=O)[O-])C2=O)cc1C ZINC000237784755 202353267 /nfs/dbraw/zinc/35/32/67/202353267.db2.gz SXQACMZFJJYHGC-CQSZACIVSA-N -1 0 318.373 1.637 50 0 DDAARM Cn1cnnc1C1CCN(C(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000237945986 202399636 /nfs/dbraw/zinc/39/96/36/202399636.db2.gz JNGCVQOVBLDBSX-UHFFFAOYSA-N -1 0 320.374 1.595 50 0 DDAARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000006698062 181371359 /nfs/dbraw/zinc/37/13/59/181371359.db2.gz NFCIESKPIOGBOT-UHFFFAOYSA-N -1 0 318.401 1.347 50 0 DDAARM O=C([O-])CCCn1cc(NC(=O)COc2ccccc2)cn1 ZINC000006701549 181373523 /nfs/dbraw/zinc/37/35/23/181373523.db2.gz NWXBUZNMHGQRDU-UHFFFAOYSA-N -1 0 303.318 1.765 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1C1CC1 ZINC000091416826 193053110 /nfs/dbraw/zinc/05/31/10/193053110.db2.gz AHFOYDMKNYIVEO-LSDHHAIUSA-N -1 0 302.374 1.981 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000262587590 203340917 /nfs/dbraw/zinc/34/09/17/203340917.db2.gz HBJXGAORNGSRLY-HUUCEWRRSA-N -1 0 303.358 1.915 50 0 DDAARM C[C@@H](C(=O)[O-])S(=O)(=O)Cc1cccc(Br)c1 ZINC000019474406 182124725 /nfs/dbraw/zinc/12/47/25/182124725.db2.gz YVZBJAQYFZPKSF-ZETCQYMHSA-N -1 0 307.165 1.837 50 0 DDAARM Cc1cc(NC(=O)c2nn(C)cc2C(=O)[O-])nn1CC(F)F ZINC000020616221 182239726 /nfs/dbraw/zinc/23/97/26/182239726.db2.gz LTTVTOVHXMONFR-UHFFFAOYSA-N -1 0 313.264 1.141 50 0 DDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc[nH]c2=O)c1 ZINC000024153402 182375757 /nfs/dbraw/zinc/37/57/57/182375757.db2.gz UMSJVBNHJUANDR-UHFFFAOYSA-N -1 0 322.342 1.126 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(F)cc2cccnc21 ZINC000262757354 304200286 /nfs/dbraw/zinc/20/02/86/304200286.db2.gz JXBIBOUNTRXZNC-GFCCVEGCSA-N -1 0 304.277 1.300 50 0 DDAARM O=C([O-])CNC(=O)Cn1ccc2c1cccc2Br ZINC000040267426 183050017 /nfs/dbraw/zinc/05/00/17/183050017.db2.gz UONPXYZAVLAJLL-UHFFFAOYSA-N -1 0 311.135 1.605 50 0 DDAARM COC(=O)c1ccccc1-n1cnc2cc(C(=O)[O-])ccc2c1=O ZINC000041127993 183169604 /nfs/dbraw/zinc/16/96/04/183169604.db2.gz JLHXUFDHVWWNPK-UHFFFAOYSA-N -1 0 324.292 1.871 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3ccco3)n2)CCO1 ZINC000043702057 183381750 /nfs/dbraw/zinc/38/17/50/183381750.db2.gz QVBLHSCUJVAKPW-SNVBAGLBSA-N -1 0 308.315 1.329 50 0 DDAARM C[C@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@@H](C(=O)[O-])CC1=O ZINC000048265698 183635471 /nfs/dbraw/zinc/63/54/71/183635471.db2.gz BQYUCPIHNCPPQJ-SKDRFNHKSA-N -1 0 302.330 1.565 50 0 DDAARM Cc1oc(-c2cccs2)nc1CN1CCN(C)[C@@H](C(=O)[O-])C1 ZINC000106703649 194244955 /nfs/dbraw/zinc/24/49/55/194244955.db2.gz GYHPYQYGJMVDGO-GFCCVEGCSA-N -1 0 321.402 1.912 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000268973345 207135318 /nfs/dbraw/zinc/13/53/18/207135318.db2.gz IIZHZQVPUJWUBH-LBPRGKRZSA-N -1 0 302.286 1.267 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000268974693 207137798 /nfs/dbraw/zinc/13/77/98/207137798.db2.gz JFRWTDZWYLLFOW-ZFWWWQNUSA-N -1 0 303.358 1.809 50 0 DDAARM COc1ccc2[nH]cc(CC(=O)N3CCOC[C@H]3C(=O)[O-])c2c1 ZINC000268968879 207132463 /nfs/dbraw/zinc/13/24/63/207132463.db2.gz FGBKKUBSKUNANM-AWEZNQCLSA-N -1 0 318.329 1.031 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000268992567 207149502 /nfs/dbraw/zinc/14/95/02/207149502.db2.gz UBDWFNIHIGIPBU-UMNHJUIQSA-N -1 0 311.284 1.380 50 0 DDAARM Cc1cc2occ(CC(=O)N3CCOC[C@H]3C(=O)[O-])c2cc1C ZINC000269002550 207159429 /nfs/dbraw/zinc/15/94/29/207159429.db2.gz ZOXWRHDRDATIQC-AWEZNQCLSA-N -1 0 317.341 1.904 50 0 DDAARM COc1cccc(-n2cc(CN3C[C@@H](C(=O)[O-])CC3=O)cn2)c1 ZINC000065395797 184335455 /nfs/dbraw/zinc/33/54/55/184335455.db2.gz ZHNQNIQAXQRAQG-LBPRGKRZSA-N -1 0 315.329 1.314 50 0 DDAARM Cc1ccccc1[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)NC(N)=O ZINC000269192958 207312740 /nfs/dbraw/zinc/31/27/40/207312740.db2.gz OWTBIKGWNWLHQJ-AAEUAGOBSA-N -1 0 319.361 1.028 50 0 DDAARM COC[C@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CCO1 ZINC000492143325 533156044 /nfs/dbraw/zinc/15/60/44/533156044.db2.gz XIHOMJQMFNVGPY-HJHHMULASA-N -1 0 305.330 1.272 50 0 DDAARM O=C([O-])c1cnc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 ZINC000263241684 304275489 /nfs/dbraw/zinc/27/54/89/304275489.db2.gz FFYAHJJDFXCMSM-ZETCQYMHSA-N -1 0 303.240 1.589 50 0 DDAARM CC(C)(CCC(=O)[O-])NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000362457517 257235739 /nfs/dbraw/zinc/23/57/39/257235739.db2.gz AJIBQOGZAVKEJD-UHFFFAOYSA-N -1 0 307.346 1.760 50 0 DDAARM CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cscn2)o1 ZINC000521396200 257240051 /nfs/dbraw/zinc/24/00/51/257240051.db2.gz HYACRXPIRPNNFA-JTQLQIEISA-N -1 0 316.404 1.965 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2noc3c2CCCC3)n1 ZINC000124313903 195627200 /nfs/dbraw/zinc/62/72/00/195627200.db2.gz VBXWJOHGGGTBOI-UHFFFAOYSA-N -1 0 307.331 1.638 50 0 DDAARM O=C1c2ccccc2C(=O)N1CCCCCCS(=O)(=O)[O-] ZINC000001596079 406671630 /nfs/dbraw/zinc/67/16/30/406671630.db2.gz AUJDYZZZDDQFIO-UHFFFAOYSA-N -1 0 311.359 1.731 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000001795929 406676693 /nfs/dbraw/zinc/67/66/93/406676693.db2.gz JYLONKSMICIFOZ-SECBINFHSA-N -1 0 307.368 1.310 50 0 DDAARM CCCOc1ccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)cc1 ZINC000002462376 406688437 /nfs/dbraw/zinc/68/84/37/406688437.db2.gz AYYMLDSTRUJRGN-LBPRGKRZSA-N -1 0 323.370 1.925 50 0 DDAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCOCC1 ZINC000000425346 406647623 /nfs/dbraw/zinc/64/76/23/406647623.db2.gz UKJVSVOXCZPVLK-UHFFFAOYSA-N -1 0 319.386 1.308 50 0 DDAARM CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-] ZINC000004218165 406722808 /nfs/dbraw/zinc/72/28/08/406722808.db2.gz BXPACRLYOPBGRM-INIZCTEOSA-N -1 0 302.330 1.706 50 0 DDAARM O=C([O-])c1ccc(CN=Nc2nnnn2-c2ccccc2)cc1 ZINC000013136171 406859166 /nfs/dbraw/zinc/85/91/66/406859166.db2.gz NWHRMLWQKYJOLQ-UHFFFAOYSA-N -1 0 308.301 1.807 50 0 DDAARM Cn1c([O-])c(C(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O ZINC000013957396 406868486 /nfs/dbraw/zinc/86/84/86/406868486.db2.gz ITWIXIUHFKBBCY-UHFFFAOYSA-N -1 0 322.364 1.970 50 0 DDAARM C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C[C@H](C)O1 ZINC000015996639 406882947 /nfs/dbraw/zinc/88/29/47/406882947.db2.gz ZJOGADBZWGFYOX-MBNYWOFBSA-N -1 0 306.362 1.501 50 0 DDAARM CCn1c(=O)c(N2CCC[C@@H](C(=O)[O-])C2)nc2cccnc21 ZINC000021782444 406889241 /nfs/dbraw/zinc/88/92/41/406889241.db2.gz JNYHDQWSLBJCBK-SNVBAGLBSA-N -1 0 302.334 1.112 50 0 DDAARM COCCS(=O)(=O)[N-]c1ccc(Br)c(C)n1 ZINC000074240505 406907135 /nfs/dbraw/zinc/90/71/35/406907135.db2.gz KQFWRZSSGMUNFT-UHFFFAOYSA-N -1 0 309.185 1.541 50 0 DDAARM Cc1nn(CC(=O)NC(C)C)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000012396225 406844000 /nfs/dbraw/zinc/84/40/00/406844000.db2.gz GCVDWFXJJZISPZ-UHFFFAOYSA-N -1 0 316.361 1.840 50 0 DDAARM COC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000036233974 406977758 /nfs/dbraw/zinc/97/77/58/406977758.db2.gz PBCKHGLREDLBAF-NSHDSACASA-N -1 0 323.330 1.266 50 0 DDAARM O=C([O-])COc1ccc([C@H]2C(=O)Oc3ccc(O)cc32)cc1 ZINC000075280220 406928550 /nfs/dbraw/zinc/92/85/50/406928550.db2.gz NBBYFOPVKOJDOH-OAHLLOKOSA-N -1 0 300.266 1.907 50 0 DDAARM CCOc1cccc(CNC(=O)CN2CCC[C@H]2C(=O)[O-])c1 ZINC000089269953 407128140 /nfs/dbraw/zinc/12/81/40/407128140.db2.gz QMNGTGODNBLPLQ-AWEZNQCLSA-N -1 0 306.362 1.251 50 0 DDAARM O=C([O-])[C@]1(NC(=O)Cc2ccc(F)c(F)c2)CCSC1 ZINC000095046834 407204878 /nfs/dbraw/zinc/20/48/78/407204878.db2.gz AKCQRNJZEPJYAZ-ZDUSSCGKSA-N -1 0 301.314 1.584 50 0 DDAARM Cn1cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c2ccccc21 ZINC000095522626 407214241 /nfs/dbraw/zinc/21/42/41/407214241.db2.gz WNSJAKGHNUNVSV-HNNXBMFYSA-N -1 0 324.340 1.553 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2F)c1 ZINC000098063840 407305207 /nfs/dbraw/zinc/30/52/07/407305207.db2.gz PLRBUWIEQQPRAS-UHFFFAOYSA-N -1 0 308.240 1.463 50 0 DDAARM COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000217347662 407501018 /nfs/dbraw/zinc/50/10/18/407501018.db2.gz ROLKPLJIYRQHNY-NFFDBFGFSA-N -1 0 301.298 1.066 50 0 DDAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)[nH]n2)o1 ZINC000178666948 407538227 /nfs/dbraw/zinc/53/82/27/407538227.db2.gz UWDXZYPQPLGCQK-JTQLQIEISA-N -1 0 303.318 1.915 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C1 ZINC000237661331 407835301 /nfs/dbraw/zinc/83/53/01/407835301.db2.gz BWMMYQYEHLSFKZ-OAHLLOKOSA-N -1 0 318.308 1.343 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2ccc(Cl)cc2)CCO1 ZINC000237961463 407856354 /nfs/dbraw/zinc/85/63/54/407856354.db2.gz OCOWVSOKSJXMRC-ZDUSSCGKSA-N -1 0 311.765 1.975 50 0 DDAARM O=C([O-])CNC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000238198670 407899305 /nfs/dbraw/zinc/89/93/05/407899305.db2.gz UHTSHWWINYPICU-UHFFFAOYSA-N -1 0 324.134 1.654 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2sccc2Cl)C[C@H]1C(=O)[O-] ZINC000263092510 408023458 /nfs/dbraw/zinc/02/34/58/408023458.db2.gz JADYSHAGDQVZNT-RNFRBKRXSA-N -1 0 309.796 1.743 50 0 DDAARM COc1ccc(CCCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000262978921 407990762 /nfs/dbraw/zinc/99/07/62/407990762.db2.gz MRARNGGMTGOEGR-AWEZNQCLSA-N -1 0 307.346 1.330 50 0 DDAARM COc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])nn1 ZINC000263022724 408004088 /nfs/dbraw/zinc/00/40/88/408004088.db2.gz UDDNCWAMTRCQSQ-NSHDSACASA-N -1 0 315.329 1.601 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(OC(C)C)nc2)C1 ZINC000263084926 408021044 /nfs/dbraw/zinc/02/10/44/408021044.db2.gz ZMXSFYOGSCXMAT-INIZCTEOSA-N -1 0 322.361 1.432 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC[C@H]1CCOC1 ZINC000263208733 408058811 /nfs/dbraw/zinc/05/88/11/408058811.db2.gz WFEJXYQUNQIKCX-SWLSCSKDSA-N -1 0 303.358 1.841 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000178266275 408795771 /nfs/dbraw/zinc/79/57/71/408795771.db2.gz BZNCOWQRNFMOCN-VIFPVBQESA-N -1 0 303.343 1.752 50 0 DDAARM Cc1nc(C)c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000178050661 408763874 /nfs/dbraw/zinc/76/38/74/408763874.db2.gz NUXGQPXCUBGFBC-ZDUSSCGKSA-N -1 0 300.314 1.943 50 0 DDAARM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262994727 163902002 /nfs/dbraw/zinc/90/20/02/163902002.db2.gz QPHBREAHLIXGCO-NEPJUHHUSA-N -1 0 311.382 1.035 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2COc3ccccc3O2)n1 ZINC000316689666 164023241 /nfs/dbraw/zinc/02/32/41/164023241.db2.gz AYJPCVMUPUMTMD-NSHDSACASA-N -1 0 320.326 1.298 50 0 DDAARM CC(C)N(CCOCCO)C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000338423900 409978796 /nfs/dbraw/zinc/97/87/96/409978796.db2.gz HJOKDPCSGLMMEV-UHFFFAOYSA-N -1 0 308.382 1.027 50 0 DDAARM COc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000299743788 410605809 /nfs/dbraw/zinc/60/58/09/410605809.db2.gz MFPFAKIDTKAJJP-VIFPVBQESA-N -1 0 309.318 1.259 50 0 DDAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299751313 410605870 /nfs/dbraw/zinc/60/58/70/410605870.db2.gz QHMFLZPOLSTYFF-QPUJVOFHSA-N -1 0 315.272 1.044 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cnc(-c3cccs3)s2)CCO1 ZINC000408513452 418806452 /nfs/dbraw/zinc/80/64/52/418806452.db2.gz MQVUBDVLVDHLPB-QMMMGPOBSA-N -1 0 324.383 1.797 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCOc2ccc(Cl)cc2C1 ZINC000426470979 419478477 /nfs/dbraw/zinc/47/84/77/419478477.db2.gz XRGACXMMKRZUMS-UHFFFAOYSA-N -1 0 308.725 1.127 50 0 DDAARM CCc1nnc(N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)s1 ZINC000426726712 419539642 /nfs/dbraw/zinc/53/96/42/419539642.db2.gz GFSZAXSUNIIWBW-JTQLQIEISA-N -1 0 321.406 1.766 50 0 DDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2nc3cccnc3[nH]2)C1 ZINC000426544676 419502594 /nfs/dbraw/zinc/50/25/94/419502594.db2.gz IMMDJLFCLGTGML-HNNXBMFYSA-N -1 0 302.334 1.675 50 0 DDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)N(CCO)Cc1cccs1 ZINC000426581002 419510117 /nfs/dbraw/zinc/51/01/17/419510117.db2.gz RBQSZENJRMEDLB-GFCCVEGCSA-N -1 0 314.407 1.751 50 0 DDAARM CC(C)[C@H](NC(=O)N1CCC(CCn2cccn2)CC1)C(=O)[O-] ZINC000426574705 419511330 /nfs/dbraw/zinc/51/13/30/419511330.db2.gz JTQAGJSZSUQZPT-AWEZNQCLSA-N -1 0 322.409 1.804 50 0 DDAARM O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000299743264 229383017 /nfs/dbraw/zinc/38/30/17/229383017.db2.gz MUGRSWQEKRQLRW-CPCZMJQVSA-N -1 0 322.405 1.537 50 0 DDAARM Cc1c(Cl)cccc1OCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299746842 229388679 /nfs/dbraw/zinc/38/86/79/229388679.db2.gz BHNJBZJOWALXQG-NSHDSACASA-N -1 0 313.737 1.339 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(OC3CCCC3)cc2)CCO1 ZINC000299751067 229392676 /nfs/dbraw/zinc/39/26/76/229392676.db2.gz PJYORFABHPHBFH-HNNXBMFYSA-N -1 0 319.357 1.934 50 0 DDAARM Cc1nc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c(C)s1 ZINC000655596545 424586794 /nfs/dbraw/zinc/58/67/94/424586794.db2.gz GRTHLSPYBVTMLE-ZDUSSCGKSA-N -1 0 319.386 1.510 50 0 DDAARM CC1(C)[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H]1C(=O)[O-] ZINC000034926370 281464827 /nfs/dbraw/zinc/46/48/27/281464827.db2.gz QUUAUSDYQPWPQF-LSDHHAIUSA-N -1 0 316.401 1.688 50 0 DDAARM CN1CCN([C@@H](c2ccco2)c2sc3ncnn3c2[O-])CC1 ZINC000022027262 290054526 /nfs/dbraw/zinc/05/45/26/290054526.db2.gz NQEJVAAOVBRYAC-NSHDSACASA-N -1 0 319.390 1.426 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])C2 ZINC000299749209 295268188 /nfs/dbraw/zinc/26/81/88/295268188.db2.gz JLNXXEDKNFMCEF-JSGCOSHPSA-N -1 0 319.357 1.712 50 0 DDAARM COc1ncccc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000320907865 295463774 /nfs/dbraw/zinc/46/37/74/295463774.db2.gz UWMVZKIRGZJPAU-AWEZNQCLSA-N -1 0 312.325 1.914 50 0 DDAARM CSCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095377784 295585389 /nfs/dbraw/zinc/58/53/89/295585389.db2.gz FCLXUMJAQWIOCK-IAQYHMDHSA-N -1 0 307.371 1.439 50 0 DDAARM C[C@@H]1CN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)C[C@H](C)O1 ZINC000072410832 297084614 /nfs/dbraw/zinc/08/46/14/297084614.db2.gz AFMFKNIJWZNHAW-PHIMTYICSA-N -1 0 314.345 1.850 50 0 DDAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccccc1 ZINC000237518734 298217817 /nfs/dbraw/zinc/21/78/17/298217817.db2.gz OGOFVYIGIXRJQK-ZKYQVNSYSA-N -1 0 304.346 1.043 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc2c(s1)CCCC2 ZINC000020614979 303048762 /nfs/dbraw/zinc/04/87/62/303048762.db2.gz BJQLEZLHEQVPKU-UHFFFAOYSA-N -1 0 306.347 1.706 50 0 DDAARM NC(=O)C[C@H]1CCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237892727 303260766 /nfs/dbraw/zinc/26/07/66/303260766.db2.gz NBVVOBGZWAJHAG-CQSZACIVSA-N -1 0 318.373 1.574 50 0 DDAARM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000007054421 333002575 /nfs/dbraw/zinc/00/25/75/333002575.db2.gz WCLBWBSPWZQEOL-UHFFFAOYSA-N -1 0 308.334 1.986 50 0 DDAARM O=C([O-])c1n[nH]cc1CN1CCN(c2cccc(O)c2)CC1 ZINC000534671349 334320491 /nfs/dbraw/zinc/32/04/91/334320491.db2.gz AJFDFWGMYPWMFB-UHFFFAOYSA-N -1 0 302.334 1.136 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CSc3ccccc3O2)n1 ZINC000299753381 534508993 /nfs/dbraw/zinc/50/89/93/534508993.db2.gz YAPIOKZGHXRSFP-JTQLQIEISA-N -1 0 319.342 1.460 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2ncoc2[C@H]2CCCO2)n1 ZINC000299751625 534550899 /nfs/dbraw/zinc/55/08/99/534550899.db2.gz RBRUUNIBQOVOQL-MRVPVSSYSA-N -1 0 323.330 1.611 50 0 DDAARM CC(C)(NC(=O)CCC(=O)NC1CCCCCCC1)C(=O)[O-] ZINC000426563365 527266287 /nfs/dbraw/zinc/26/62/87/527266287.db2.gz ZUFOQJZMSCGYBX-UHFFFAOYSA-N -1 0 312.410 1.975 50 0 DDAARM CC(C)S(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299751632 528293920 /nfs/dbraw/zinc/29/39/20/528293920.db2.gz RBWHFRSOYFWSKM-TUAOUCFPSA-N -1 0 317.407 1.054 50 0 DDAARM CCOc1cccc2c1OC[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])C2 ZINC000299740885 528697989 /nfs/dbraw/zinc/69/79/89/528697989.db2.gz BZHHUBJXQUJUSU-CHWSQXEVSA-N -1 0 319.357 1.712 50 0 DDAARM CC(=O)N[C@H](CCCNC(=S)Nc1ccccc1)C(=O)[O-] ZINC000012379480 696049649 /nfs/dbraw/zinc/04/96/49/696049649.db2.gz SJUGFKDRSWBFSN-GFCCVEGCSA-N -1 0 309.391 1.343 50 0 DDAARM CC(C)(C)CN1C[C@@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000012443461 696050143 /nfs/dbraw/zinc/05/01/43/696050143.db2.gz CEXKBHLVCALQEQ-QMMMGPOBSA-N -1 0 316.345 1.115 50 0 DDAARM O=C([O-])C1(O)CCN(c2nccc(CCC(F)(F)F)n2)CC1 ZINC000071750341 696392555 /nfs/dbraw/zinc/39/25/55/696392555.db2.gz ZCHYFQSSGCWOLZ-UHFFFAOYSA-N -1 0 319.283 1.387 50 0 DDAARM CC(=Cc1ccc(Cl)cc1)C(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000221992352 697755947 /nfs/dbraw/zinc/75/59/47/697755947.db2.gz QYOXNVMICXVKOX-CMDGGOBGSA-N -1 0 306.753 1.514 50 0 DDAARM CC[C@](CNC(=O)c1nccnc1N)(C(=O)[O-])c1ccccc1 ZINC000262875578 698483301 /nfs/dbraw/zinc/48/33/01/698483301.db2.gz AMGYUVVCOHOGPO-MRXNPFEDSA-N -1 0 314.345 1.221 50 0 DDAARM CN1N=C(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CCC1=O ZINC000322389958 698734532 /nfs/dbraw/zinc/73/45/32/698734532.db2.gz PWHPQBOLKXLDDN-LLVKDONJSA-N -1 0 315.329 1.200 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000095424870 185361442 /nfs/dbraw/zinc/36/14/42/185361442.db2.gz BOIMZQNIKGLEAV-MGPLVRAMSA-N -1 0 309.410 1.975 50 0 DDAARM CC(C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000095424031 185361116 /nfs/dbraw/zinc/36/11/16/185361116.db2.gz STTWZALLZGBJPC-AWEZNQCLSA-N -1 0 318.373 1.648 50 0 DDAARM O=C(Nc1ccccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001306779 304009576 /nfs/dbraw/zinc/00/95/76/304009576.db2.gz KUJBCFFXLMTLAE-UHFFFAOYSA-N -1 0 307.309 1.911 50 0 DDAARM CCC(=O)N1CCC[C@H](C(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000084718280 192460848 /nfs/dbraw/zinc/46/08/48/192460848.db2.gz UBTHRIKNQRJKGO-LBPRGKRZSA-N -1 0 310.394 1.539 50 0 DDAARM CCOc1ccc(S(=O)(=O)NCc2ccc[nH]2)cc1C(=O)[O-] ZINC000225587585 186280394 /nfs/dbraw/zinc/28/03/94/186280394.db2.gz OUESEOTUEIMEKB-UHFFFAOYSA-N -1 0 324.358 1.590 50 0 DDAARM O=C(NCCc1nc(=O)o[n-]1)C1(c2cccs2)CCCCC1 ZINC000280042779 215333313 /nfs/dbraw/zinc/33/33/13/215333313.db2.gz GNFBWUSXOLIKSO-UHFFFAOYSA-N -1 0 321.402 1.985 50 0 DDAARM COc1cccc(N(Cc2n[nH]c(=O)[n-]2)C(=O)C(F)(F)F)c1 ZINC000072403587 191151794 /nfs/dbraw/zinc/15/17/94/191151794.db2.gz LHPLHFRVBOUUJL-UHFFFAOYSA-N -1 0 316.239 1.202 50 0 DDAARM Cc1ccc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)s1 ZINC000072426391 191160175 /nfs/dbraw/zinc/16/01/75/191160175.db2.gz PQVVLEZKGLHBCX-UHFFFAOYSA-N -1 0 319.386 1.969 50 0 DDAARM Cc1noc(C)c1CN1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072480698 191181186 /nfs/dbraw/zinc/18/11/86/191181186.db2.gz BGRGUYVNKUQBAJ-UHFFFAOYSA-N -1 0 318.377 1.911 50 0 DDAARM CCn1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC)n1 ZINC000002809451 180960325 /nfs/dbraw/zinc/96/03/25/180960325.db2.gz MQKXMRRTUZYOPZ-NXEZZACHSA-N -1 0 322.365 1.092 50 0 DDAARM CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccnc2)C1(C)C ZINC000158764591 354231855 /nfs/dbraw/zinc/23/18/55/354231855.db2.gz XNUFSKJWNAXFJP-NWDGAFQWSA-N -1 0 310.375 1.138 50 0 DDAARM COc1ccc(CC(=O)NCCn2cnc(C(=O)[O-])c2)cc1F ZINC000322794311 354538422 /nfs/dbraw/zinc/53/84/22/354538422.db2.gz MVPDNQQJYUABBR-UHFFFAOYSA-N -1 0 321.308 1.088 50 0 DDAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)Nc1cccc(F)c1 ZINC000004688973 181137228 /nfs/dbraw/zinc/13/72/28/181137228.db2.gz ORHIGPMKUOOYQA-ZDUSSCGKSA-N -1 0 306.293 1.990 50 0 DDAARM O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)N[C@H]2CCCOC2)C1 ZINC000585134169 354811259 /nfs/dbraw/zinc/81/12/59/354811259.db2.gz GLAOVVJGMWSTPK-FZMZJTMJSA-N -1 0 317.345 1.001 50 0 DDAARM CCc1nc(=N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2O)s[n-]1 ZINC000585142482 354815573 /nfs/dbraw/zinc/81/55/73/354815573.db2.gz XDMQFAFLGKMEAU-BDAKNGLRSA-N -1 0 321.406 1.698 50 0 DDAARM O=C([O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000005046177 181196235 /nfs/dbraw/zinc/19/62/35/181196235.db2.gz MCASYZDFQLNASI-POHAHGRESA-N -1 0 301.254 1.864 50 0 DDAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1Cl)N1CCOCC1 ZINC000005636883 181266756 /nfs/dbraw/zinc/26/67/56/181266756.db2.gz CQSMXWUOWPIGRU-LBPRGKRZSA-N -1 0 312.753 1.454 50 0 DDAARM O=C([O-])c1ccc(OC[C@H](O)Cn2nnc3ccccc32)cc1 ZINC000005778263 181283005 /nfs/dbraw/zinc/28/30/05/181283005.db2.gz BXJWQRFCIGSXNO-GFCCVEGCSA-N -1 0 313.313 1.569 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N3CC[C@H](C(=O)[O-])C3)C2=O)cc1 ZINC000237639572 202313687 /nfs/dbraw/zinc/31/36/87/202313687.db2.gz WFYJDMHRUKPEPG-GXTWGEPZSA-N -1 0 316.357 1.281 50 0 DDAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237656629 202319965 /nfs/dbraw/zinc/31/99/65/202319965.db2.gz NTNXZGDRAJBQHE-GFCCVEGCSA-N -1 0 320.301 1.098 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237686392 202328502 /nfs/dbraw/zinc/32/85/02/202328502.db2.gz ZIKZZZOWNPKRIU-UHFFFAOYSA-N -1 0 323.393 1.062 50 0 DDAARM Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)[nH]n2)cc1 ZINC000237702736 202331926 /nfs/dbraw/zinc/33/19/26/202331926.db2.gz CVJQQKRSLQHXFV-CQSZACIVSA-N -1 0 315.329 1.311 50 0 DDAARM Cn1ncc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1-n1cccc1 ZINC000237828099 202364354 /nfs/dbraw/zinc/36/43/54/202364354.db2.gz ZNVRZYQBTWYPRM-HNNXBMFYSA-N -1 0 302.334 1.148 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000009087798 304094550 /nfs/dbraw/zinc/09/45/50/304094550.db2.gz JSHKCLVDTGIHEU-CQSZACIVSA-N -1 0 310.309 1.971 50 0 DDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000195090839 201338904 /nfs/dbraw/zinc/33/89/04/201338904.db2.gz FJCOMFVUFLZSBP-JTQLQIEISA-N -1 0 302.334 1.675 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCCCO3)C1 ZINC000013260841 304110162 /nfs/dbraw/zinc/11/01/62/304110162.db2.gz FCCXZBMVPHRHCG-GFCCVEGCSA-N -1 0 305.330 1.785 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)no1 ZINC000006661731 181367545 /nfs/dbraw/zinc/36/75/45/181367545.db2.gz MEHVMPQSELIKMQ-UHFFFAOYSA-N -1 0 309.303 1.229 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1 ZINC000197754605 201422961 /nfs/dbraw/zinc/42/29/61/201422961.db2.gz BSOWHBVRMJGDPJ-UHFFFAOYSA-N -1 0 318.358 1.199 50 0 DDAARM CN(Cc1ccoc1)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000091769395 193103531 /nfs/dbraw/zinc/10/35/31/193103531.db2.gz BTACVUASLLGNGM-UHFFFAOYSA-N -1 0 313.313 1.608 50 0 DDAARM COc1ccccc1[C@@H]1CN(C(=O)C2(C)COC2)C[C@H]1C(=O)[O-] ZINC000092037468 193144614 /nfs/dbraw/zinc/14/46/14/193144614.db2.gz XYPBHUBLSVLAKH-QWHCGFSZSA-N -1 0 319.357 1.358 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CCO1 ZINC000261752517 203109997 /nfs/dbraw/zinc/10/99/97/203109997.db2.gz PAYVZBFPSUQGOJ-NSHDSACASA-N -1 0 316.313 1.256 50 0 DDAARM COc1cc(CCC(=O)N[C@H](C(=O)[O-])C2CC2)cc(OC)c1 ZINC000262100379 203197795 /nfs/dbraw/zinc/19/77/95/203197795.db2.gz FHNRLHLKLIGFHG-HNNXBMFYSA-N -1 0 307.346 1.616 50 0 DDAARM COc1ccc([C@H](NC(=O)[C@@H]2CCCOC2)C(=O)[O-])cc1F ZINC000263177398 203442725 /nfs/dbraw/zinc/44/27/25/203442725.db2.gz WSCOXBKELZODEU-MFKMUULPSA-N -1 0 311.309 1.503 50 0 DDAARM Cc1cnn(CC2CCN(c3ncncc3C(=O)[O-])CC2)c1 ZINC000095355921 193428304 /nfs/dbraw/zinc/42/83/04/193428304.db2.gz BVRGNALFNTUUNJ-UHFFFAOYSA-N -1 0 301.350 1.596 50 0 DDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000016578637 182050332 /nfs/dbraw/zinc/05/03/32/182050332.db2.gz RGHOEXHANWCJML-UHFFFAOYSA-N -1 0 308.334 1.867 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000128580790 304178386 /nfs/dbraw/zinc/17/83/86/304178386.db2.gz ZAJSSOMXMFXMBT-CYBMUJFWSA-N -1 0 300.318 1.347 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000020120033 182188904 /nfs/dbraw/zinc/18/89/04/182188904.db2.gz MTSNKHFTMILZHK-OLZOCXBDSA-N -1 0 304.346 1.876 50 0 DDAARM CCN(CC)S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000020134359 182190610 /nfs/dbraw/zinc/19/06/10/182190610.db2.gz ILFNCMJDJIUFKP-UHFFFAOYSA-N -1 0 301.364 1.489 50 0 DDAARM COc1ccc([C@H](C)NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020318455 182206336 /nfs/dbraw/zinc/20/63/36/182206336.db2.gz ZBFBVUZSFOAOEB-VIFPVBQESA-N -1 0 303.318 1.618 50 0 DDAARM O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccsc2)cc1 ZINC000021012670 182259929 /nfs/dbraw/zinc/25/99/29/182259929.db2.gz VMHZSHJPAWUSDL-UHFFFAOYSA-N -1 0 304.327 1.815 50 0 DDAARM Cc1noc(C)c1COc1ccc(C(=O)[N-]S(C)(=O)=O)cc1 ZINC000040543806 183098982 /nfs/dbraw/zinc/09/89/82/183098982.db2.gz ZUDPYTLNAJBCJT-UHFFFAOYSA-N -1 0 324.358 1.560 50 0 DDAARM Cn1c(Cl)c(Cl)cc1C(=O)[N-]S(=O)(=O)C(F)F ZINC000040553484 183100631 /nfs/dbraw/zinc/10/06/31/183100631.db2.gz CQTGTVBALJLBOR-UHFFFAOYSA-N -1 0 307.105 1.614 50 0 DDAARM COc1ccc(Cl)cc1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043701130 183381946 /nfs/dbraw/zinc/38/19/46/183381946.db2.gz HTXRUWFHANKTDG-GFCCVEGCSA-N -1 0 313.737 1.203 50 0 DDAARM C[C@@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000268905811 207072990 /nfs/dbraw/zinc/07/29/90/207072990.db2.gz NCHALQAHSSXUSH-QMMMGPOBSA-N -1 0 313.737 1.491 50 0 DDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000268939234 207104122 /nfs/dbraw/zinc/10/41/22/207104122.db2.gz IVUWMTKIFANNFN-WHGOUJPWSA-N -1 0 319.292 1.774 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000268943060 207108568 /nfs/dbraw/zinc/10/85/68/207108568.db2.gz KVUJTSXJKBSTJI-IJLUTSLNSA-N -1 0 322.748 1.282 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)N2CCOCC2)cc1 ZINC000057638230 184043623 /nfs/dbraw/zinc/04/36/23/184043623.db2.gz ZUCYRMUCASHTOT-ZDUSSCGKSA-N -1 0 307.346 1.502 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCOC[C@@H]3C(=O)[O-])coc2c1C ZINC000268970170 207132879 /nfs/dbraw/zinc/13/28/79/207132879.db2.gz GHTKRMKMDZJTKV-CQSZACIVSA-N -1 0 317.341 1.904 50 0 DDAARM Cc1cc2occ(CC(=O)N3CCOC[C@@H]3C(=O)[O-])c2cc1C ZINC000269002551 207159299 /nfs/dbraw/zinc/15/92/99/207159299.db2.gz ZOXWRHDRDATIQC-CQSZACIVSA-N -1 0 317.341 1.904 50 0 DDAARM COc1ccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1F ZINC000269060522 207209789 /nfs/dbraw/zinc/20/97/89/207209789.db2.gz ZMDRGBUZBRPJIR-NSHDSACASA-N -1 0 311.309 1.079 50 0 DDAARM Cc1ccccc1[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)NC(N)=O ZINC000269192962 207311982 /nfs/dbraw/zinc/31/19/82/207311982.db2.gz OWTBIKGWNWLHQJ-WCQYABFASA-N -1 0 319.361 1.028 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c1 ZINC000263412485 304255772 /nfs/dbraw/zinc/25/57/72/304255772.db2.gz JGPZZLDCWUMWTI-UHFFFAOYSA-N -1 0 316.357 1.469 50 0 DDAARM Cc1c(C(=O)N(C)[C@H](C)C(=O)[O-])cccc1N1CCNC1=O ZINC000342542232 257237069 /nfs/dbraw/zinc/23/70/69/257237069.db2.gz GLQZRHGDOWKHBQ-SNVBAGLBSA-N -1 0 305.334 1.070 50 0 DDAARM COc1ccccc1OCC(=O)[N-]S(=O)(=O)CC(C)C ZINC000069631301 184829788 /nfs/dbraw/zinc/82/97/88/184829788.db2.gz PZGPSJXQQOTAQK-UHFFFAOYSA-N -1 0 301.364 1.176 50 0 DDAARM O=C([O-])c1n[nH]c2c1[C@H](c1ccnn1-c1ccccc1)CC(=O)N2 ZINC000065423979 304282727 /nfs/dbraw/zinc/28/27/27/304282727.db2.gz SHZOIQNSDMMUPR-JTQLQIEISA-N -1 0 323.312 1.768 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000069785 406617582 /nfs/dbraw/zinc/61/75/82/406617582.db2.gz PHFJZKMLXDFUNB-UHFFFAOYSA-N -1 0 306.347 1.544 50 0 in-vitro DDAARM Cc1ccc(-n2ncc3c2nc(SCC(=O)[O-])[nH]c3=O)cc1 ZINC000000429063 406647875 /nfs/dbraw/zinc/64/78/75/406647875.db2.gz ITYGZXMYYMNEBY-UHFFFAOYSA-N -1 0 316.342 1.594 50 0 DDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1cc(Cl)ccc1O ZINC000006925752 406745318 /nfs/dbraw/zinc/74/53/18/406745318.db2.gz FKZKILQRORLFPR-QMMMGPOBSA-N -1 0 300.723 1.726 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000069699637 406756132 /nfs/dbraw/zinc/75/61/32/406756132.db2.gz WTQMXMOTGPIPAN-LBPRGKRZSA-N -1 0 317.794 1.969 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000007418146 406757546 /nfs/dbraw/zinc/75/75/46/406757546.db2.gz XXOKCPCSWFEJDE-UHFFFAOYSA-N -1 0 320.370 1.903 50 0 DDAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccccc1Cl ZINC000009059326 406801770 /nfs/dbraw/zinc/80/17/70/406801770.db2.gz UVYPZCSMPWCSDJ-UHFFFAOYSA-N -1 0 311.750 1.860 50 0 DDAARM Cc1cc(=O)n2nc(NC(=O)[C@H](C)Oc3ccccc3)[n-]c2n1 ZINC000009202587 406804566 /nfs/dbraw/zinc/80/45/66/406804566.db2.gz BGMQFTNBHJPZQF-JTQLQIEISA-N -1 0 313.317 1.544 50 0 DDAARM Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000012508249 406846431 /nfs/dbraw/zinc/84/64/31/406846431.db2.gz BJUVOVILIOOIMH-UHFFFAOYSA-N -1 0 309.347 1.382 50 0 DDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CCC2(CC1)OCCO2 ZINC000012648308 406849212 /nfs/dbraw/zinc/84/92/12/406849212.db2.gz RCLRJIIPUPENTL-NSHDSACASA-N -1 0 315.366 1.898 50 0 DDAARM CS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000016158933 406882816 /nfs/dbraw/zinc/88/28/16/406882816.db2.gz LQDSRWORXHXPED-SECBINFHSA-N -1 0 301.339 1.530 50 0 DDAARM Cc1cnn(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)c1 ZINC000071774873 406842099 /nfs/dbraw/zinc/84/20/99/406842099.db2.gz WBIBJNDYCIYOCP-UHFFFAOYSA-N -1 0 323.374 1.566 50 0 DDAARM O=C([O-])CN(C[C@H]1CCCO1)C(=O)Cc1cc(F)ccc1F ZINC000089768480 407148320 /nfs/dbraw/zinc/14/83/20/407148320.db2.gz BMDBCPTXZGTQKU-GFCCVEGCSA-N -1 0 313.300 1.600 50 0 DDAARM Cc1c(C(=O)NC(C)(C)C(=O)[O-])cnn1-c1ccccc1F ZINC000095956920 407216707 /nfs/dbraw/zinc/21/67/07/407216707.db2.gz VPADIHCOININOX-UHFFFAOYSA-N -1 0 305.309 1.913 50 0 DDAARM Cc1ccc(-n2nc(C(=O)N[C@H](C)C(=O)[O-])c3c2CCC3)cc1 ZINC000095970438 407218498 /nfs/dbraw/zinc/21/84/98/407218498.db2.gz CJLAMUJDUKCJTL-LLVKDONJSA-N -1 0 313.357 1.872 50 0 DDAARM CC(C)CCS(=O)(=O)[N-]C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000095971901 407218716 /nfs/dbraw/zinc/21/87/16/407218716.db2.gz OEUOHZLDNRRLNJ-FOSCPWQOSA-N -1 0 301.408 1.484 50 0 DDAARM CN(C)c1nc(N)cc(N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)n1 ZINC000096140997 407240164 /nfs/dbraw/zinc/24/01/64/407240164.db2.gz KMDMZXMGODAUQS-INIZCTEOSA-N -1 0 319.409 1.596 50 0 DDAARM CC(C)c1nc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)n(C)n1 ZINC000096448154 407268675 /nfs/dbraw/zinc/26/86/75/407268675.db2.gz OZJYLJFEOVENAK-UHFFFAOYSA-N -1 0 312.399 1.586 50 0 DDAARM Cc1ocnc1C(=O)NC[C@@H](Cc1ccccc1C)C(=O)[O-] ZINC000097036036 407276017 /nfs/dbraw/zinc/27/60/17/407276017.db2.gz PGDDRONGJLMIRR-CYBMUJFWSA-N -1 0 302.330 1.965 50 0 DDAARM CCc1nc(C)c([C@H]2CC(=O)Nc3c2c(C)nn3CC(=O)[O-])[nH]1 ZINC000067833811 407286066 /nfs/dbraw/zinc/28/60/66/407286066.db2.gz BDFZZESEFWPZGI-VIFPVBQESA-N -1 0 317.349 1.344 50 0 DDAARM O=C(Nc1ccncc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621302 407308136 /nfs/dbraw/zinc/30/81/36/407308136.db2.gz FGNRTQNIYFFVDY-UHFFFAOYSA-N -1 0 307.309 1.911 50 0 DDAARM CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)CC1CCOCC1 ZINC000170646117 407463255 /nfs/dbraw/zinc/46/32/55/407463255.db2.gz BLODTRQONGWPRU-UHFFFAOYSA-N -1 0 316.379 1.284 50 0 DDAARM Cc1nc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)n[nH]1 ZINC000128505964 407541069 /nfs/dbraw/zinc/54/10/69/407541069.db2.gz CHYGMOULKRZBLR-ZDUSSCGKSA-N -1 0 314.345 1.717 50 0 DDAARM C[C@H]1CCN(C(=O)Cc2cn3ccccc3n2)[C@H](C(=O)[O-])C1 ZINC000262584562 407873579 /nfs/dbraw/zinc/87/35/79/407873579.db2.gz ZNUJTYWPIILCTF-AAEUAGOBSA-N -1 0 301.346 1.589 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CCN2C(=O)CCc3ccccc32)C1 ZINC000238084610 407888193 /nfs/dbraw/zinc/88/81/93/407888193.db2.gz NHCMKEBVMCPZJY-ZDUSSCGKSA-N -1 0 316.357 1.289 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCO1 ZINC000238195891 407899645 /nfs/dbraw/zinc/89/96/45/407899645.db2.gz UDWBUGAOEFKQNM-GFCCVEGCSA-N -1 0 302.330 1.413 50 0 DDAARM COCc1cccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000262858662 407957849 /nfs/dbraw/zinc/95/78/49/407957849.db2.gz VBIWRXGWGCQMMJ-KGLIPLIRSA-N -1 0 307.346 1.443 50 0 DDAARM CC[S@](=O)c1ccccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000263075582 408018896 /nfs/dbraw/zinc/01/88/96/408018896.db2.gz YQTVHKLAUIAEOC-MQJDWESPSA-N -1 0 309.387 1.893 50 0 DDAARM CS(=O)(=O)CCN(C(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC000263226883 408065006 /nfs/dbraw/zinc/06/50/06/408065006.db2.gz ANSXUBVKRUOLEG-UHFFFAOYSA-N -1 0 311.359 1.034 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000263324831 408107119 /nfs/dbraw/zinc/10/71/19/408107119.db2.gz SKDJRHXOASQRTQ-NSHDSACASA-N -1 0 304.346 1.354 50 0 DDAARM Cc1ncsc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000121555804 408236048 /nfs/dbraw/zinc/23/60/48/408236048.db2.gz SRCSHWYHQZLDAE-SECBINFHSA-N -1 0 304.393 1.080 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(Cl)c3cccnc23)CCO1 ZINC000178279457 408796752 /nfs/dbraw/zinc/79/67/52/408796752.db2.gz BKQZHPUGOXEHFN-GFCCVEGCSA-N -1 0 320.732 1.814 50 0 DDAARM COCc1ccsc1C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262723831 163869748 /nfs/dbraw/zinc/86/97/48/163869748.db2.gz FVEFVDIQEKFNJM-GXSJLCMTSA-N -1 0 313.375 1.504 50 0 DDAARM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237594548 287135547 /nfs/dbraw/zinc/13/55/47/287135547.db2.gz VXLLSPGEQLXZOL-SMDDNHRTSA-N -1 0 308.353 1.894 50 0 DDAARM Cc1noc(C)c1[C@H](C)CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744819 423027795 /nfs/dbraw/zinc/02/77/95/423027795.db2.gz LIPCAMCIPBGUBL-MRVPVSSYSA-N -1 0 306.322 1.705 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccccc1Cl ZINC000044915361 418432554 /nfs/dbraw/zinc/43/25/54/418432554.db2.gz IJMKRTZSHCIDSX-LLVKDONJSA-N -1 0 321.720 1.781 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(N3CCCCC3=O)c2)C1 ZINC000044979119 418436593 /nfs/dbraw/zinc/43/65/93/418436593.db2.gz FWWVXMUBUFDURU-LLVKDONJSA-N -1 0 302.330 1.641 50 0 DDAARM Cc1ccc(CCC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C ZINC000222974205 418563247 /nfs/dbraw/zinc/56/32/47/418563247.db2.gz LIFYDLOOERVHRW-HNNXBMFYSA-N -1 0 305.374 1.938 50 0 DDAARM C[C@@H]1C[C@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)[C@H](C)O1 ZINC000630178046 421940646 /nfs/dbraw/zinc/94/06/46/421940646.db2.gz ORFRGLSWRCSRDN-XXSPCDMZSA-N -1 0 309.337 1.924 50 0 DDAARM N=c1[n-]nc([C@H]2CCCN(C(=O)Cc3ccc(F)c(F)c3)C2)o1 ZINC000585131181 422309323 /nfs/dbraw/zinc/30/93/23/422309323.db2.gz NXJQBQZENIYWDI-JTQLQIEISA-N -1 0 322.315 1.709 50 0 DDAARM O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000653495372 423500224 /nfs/dbraw/zinc/50/02/24/423500224.db2.gz JDVBZWONUYCLRW-UHFFFAOYSA-N -1 0 313.331 1.043 50 0 DDAARM Cc1c(Cl)c(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])nn1C ZINC000655597944 424588100 /nfs/dbraw/zinc/58/81/00/424588100.db2.gz XPUJWZLOXNLNHX-JTQLQIEISA-N -1 0 322.752 1.203 50 0 DDAARM COc1ccc(CCCCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000299753428 295119283 /nfs/dbraw/zinc/11/92/83/295119283.db2.gz YFICZPRIPSSFMY-HNNXBMFYSA-N -1 0 321.373 1.720 50 0 DDAARM C[C@H]1CCc2sc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2C1 ZINC000088373656 300091760 /nfs/dbraw/zinc/09/17/60/300091760.db2.gz UBOATGWKARPJEY-ONGXEEELSA-N -1 0 309.387 1.799 50 0 DDAARM Cc1c2cccc(C)c2oc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262550004 301017891 /nfs/dbraw/zinc/01/78/91/301017891.db2.gz WUPVFKVBLATMLP-LBPRGKRZSA-N -1 0 303.314 1.975 50 0 DDAARM Cc1cc(C)c2c(n[nH]c2NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071284677 301206640 /nfs/dbraw/zinc/20/66/40/301206640.db2.gz OBIMBSPRXYLZRF-UWVGGRQHSA-N -1 0 302.334 1.870 50 0 DDAARM Cc1cc(NC(=O)CN2CCC[C@H]2C(=O)[O-])n(C(C)(C)C)n1 ZINC000237703452 301348169 /nfs/dbraw/zinc/34/81/69/301348169.db2.gz NCXLIHOAIQFNAU-NSHDSACASA-N -1 0 308.382 1.434 50 0 DDAARM Cc1cc2[nH]c(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2c(C)c1 ZINC000299749340 301433995 /nfs/dbraw/zinc/43/39/95/301433995.db2.gz JZPRBKRJFFTCKX-CQSZACIVSA-N -1 0 302.330 1.710 50 0 DDAARM COCc1csc([N-]S(=O)(=O)CCc2ccccc2)n1 ZINC000096462642 484019396 /nfs/dbraw/zinc/01/93/96/484019396.db2.gz QGYWOTSSSRBEPH-UHFFFAOYSA-N -1 0 312.416 2.274 50 0 DDAARM Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCCC[C@]1(C)C(=O)[O-] ZINC000217168831 484144492 /nfs/dbraw/zinc/14/44/92/484144492.db2.gz ZBRHVPZPXMZWMO-MRXNPFEDSA-N -1 0 321.377 1.587 50 0 DDAARM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC000299750758 533734755 /nfs/dbraw/zinc/73/47/55/533734755.db2.gz OHDHNBWDGOUENO-ICCXJUOJSA-N -1 0 302.330 1.124 50 0 DDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc2n(n1)CCO2 ZINC000863981652 706050078 /nfs/dbraw/zinc/05/00/78/706050078.db2.gz DMIIYPXMBZMDMX-AWEZNQCLSA-N -1 0 313.313 1.100 50 0 DDAARM Cc1nc(-c2cccnc2)ncc1C(=O)NCCCC(=O)[O-] ZINC000828512150 759664534 /nfs/dbraw/zinc/66/45/34/759664534.db2.gz PWKAZYGDRKXERP-UHFFFAOYSA-N -1 0 300.318 1.442 50 0 DDAARM CCOc1ccncc1S(=O)(=O)[N-]c1nc(C)ccc1OC ZINC000585129711 771961975 /nfs/dbraw/zinc/96/19/75/771961975.db2.gz SKADTFIHJVYMDR-UHFFFAOYSA-N -1 0 323.374 1.993 50 0 DDAARM CN(C(=O)c1cn2ccsc2n1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000095516385 185376362 /nfs/dbraw/zinc/37/63/62/185376362.db2.gz MHHKJVOZCPNIFA-LLVKDONJSA-N -1 0 316.342 1.689 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263282204 539276115 /nfs/dbraw/zinc/27/61/15/539276115.db2.gz XMXQXPPCTNTSAM-VXGBXAGGSA-N -1 0 307.346 1.786 50 0 DDAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)C1 ZINC000032917401 297229763 /nfs/dbraw/zinc/22/97/63/297229763.db2.gz BIJPYEGILDRZEE-IJLUTSLNSA-N -1 0 304.412 1.006 50 0 DDAARM Cc1oc(CNC(=O)CNC(=O)CCC(C)C)cc1C(=O)[O-] ZINC000095425180 185361711 /nfs/dbraw/zinc/36/17/11/185361711.db2.gz LFHDZGYFIHEXAQ-UHFFFAOYSA-N -1 0 310.350 1.455 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2cc3c(s2)CCOC3)n1 ZINC000181864356 186212152 /nfs/dbraw/zinc/21/21/52/186212152.db2.gz LGZZQCUQCBDAOW-UHFFFAOYSA-N -1 0 324.383 1.906 50 0 DDAARM O=C([O-])C1(n2cnc3ccccc32)CCN(c2ncccn2)CC1 ZINC000072418549 191157056 /nfs/dbraw/zinc/15/70/56/191157056.db2.gz NPZZCKILAOIBEY-UHFFFAOYSA-N -1 0 323.356 1.907 50 0 DDAARM CCOC(=O)C1=C([O-])c2ccccc2N(S(C)(=O)=O)CC1 ZINC000019878248 352169693 /nfs/dbraw/zinc/16/96/93/352169693.db2.gz WDDLRIOWVSCBIZ-NSHDSACASA-N -1 0 311.359 1.218 50 0 DDAARM CC[C@@H](C)NC(=O)N1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072478439 191178840 /nfs/dbraw/zinc/17/88/40/191178840.db2.gz MRDOOVCEUCEWHU-GFCCVEGCSA-N -1 0 308.382 1.575 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H](C)Cc1cccs1 ZINC000076089842 353398312 /nfs/dbraw/zinc/39/83/12/353398312.db2.gz OPBJPMUGSYBLAH-JTQLQIEISA-N -1 0 304.437 1.630 50 0 DDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000004671288 181134786 /nfs/dbraw/zinc/13/47/86/181134786.db2.gz GRCYBILJJACYPP-JTQLQIEISA-N -1 0 307.730 1.717 50 0 DDAARM COC(=O)c1cc(NC(=O)CCC(=O)[O-])cc(C(=O)OC)c1 ZINC000004628546 181130942 /nfs/dbraw/zinc/13/09/42/181130942.db2.gz PPUVMTUBSOPBLA-UHFFFAOYSA-N -1 0 309.274 1.063 50 0 DDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000408513229 304052435 /nfs/dbraw/zinc/05/24/35/304052435.db2.gz BSKGDFDNOQVRCN-HIFRSBDPSA-N -1 0 319.357 1.472 50 0 DDAARM CCCn1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1C ZINC000237053872 202135888 /nfs/dbraw/zinc/13/58/88/202135888.db2.gz CNGDKJOZCGPPPL-LBPRGKRZSA-N -1 0 309.366 1.226 50 0 DDAARM CCCS(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299751877 283415954 /nfs/dbraw/zinc/41/59/54/283415954.db2.gz SBXXXCVRPIXPEV-TUAOUCFPSA-N -1 0 317.407 1.056 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)NC2CCCCC2)C[C@H]1c1cn[nH]n1 ZINC000299773271 304084113 /nfs/dbraw/zinc/08/41/13/304084113.db2.gz CFTMNGKMMJWCMJ-CMPLNLGQSA-N -1 0 321.381 1.337 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)NC[C@H](C)C(=O)[O-])C2=O)cc1 ZINC000237603432 202301273 /nfs/dbraw/zinc/30/12/73/202301273.db2.gz BSZQQFNIKMBEKO-WCQYABFASA-N -1 0 304.346 1.185 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000237661195 202322088 /nfs/dbraw/zinc/32/20/88/202322088.db2.gz BTJYXISFFPWQPC-MRXNPFEDSA-N -1 0 314.345 1.263 50 0 DDAARM Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc21 ZINC000237662895 202322239 /nfs/dbraw/zinc/32/22/39/202322239.db2.gz RYEHTIJTLGWNMA-NSHDSACASA-N -1 0 320.320 1.931 50 0 DDAARM O=C([O-])CN1CCO[C@H](c2ccccc2Br)C1 ZINC000238161098 202447249 /nfs/dbraw/zinc/44/72/49/202447249.db2.gz OQYWMXRGGYXYBS-NSHDSACASA-N -1 0 300.152 1.907 50 0 DDAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cn(C)nc2C)c1 ZINC000006706512 181375219 /nfs/dbraw/zinc/37/52/19/181375219.db2.gz WRTOADUEZZDKCN-UHFFFAOYSA-N -1 0 323.374 1.706 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2nccnc2OC)C1 ZINC000091664873 193087299 /nfs/dbraw/zinc/08/72/99/193087299.db2.gz CLOZRQPDLPECOB-HNNXBMFYSA-N -1 0 309.366 1.583 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000091782253 193106690 /nfs/dbraw/zinc/10/66/90/193106690.db2.gz LIXONZCPPSDQHH-OAHLLOKOSA-N -1 0 309.366 1.452 50 0 DDAARM O=C([O-])CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000261642775 203085253 /nfs/dbraw/zinc/08/52/53/203085253.db2.gz GLOMWBQWNRIAAB-UHFFFAOYSA-N -1 0 312.174 1.888 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(Cc3cccs3)nn2)C1 ZINC000262210950 203229508 /nfs/dbraw/zinc/22/95/08/203229508.db2.gz WYWRAMHWXNLETE-AWEZNQCLSA-N -1 0 320.374 1.325 50 0 DDAARM O=C([O-])CNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000262177797 203220663 /nfs/dbraw/zinc/22/06/63/203220663.db2.gz RFCCOQIXHYNKIM-UHFFFAOYSA-N -1 0 311.359 1.217 50 0 DDAARM Cc1nscc1C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263086433 203434863 /nfs/dbraw/zinc/43/48/63/203434863.db2.gz QCYANJCITPLKTQ-CYBMUJFWSA-N -1 0 318.354 1.942 50 0 DDAARM COc1ccc(C[C@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000263516923 203475446 /nfs/dbraw/zinc/47/54/46/203475446.db2.gz FBXAHFUXDIDWME-WCQYABFASA-N -1 0 321.373 1.958 50 0 DDAARM CC(=O)c1c([O-])cc(C)n(-c2ccc3c(c2)OCCO3)c1=O ZINC000016769684 182059924 /nfs/dbraw/zinc/05/99/24/182059924.db2.gz VRMYMTJYFQQEDW-UHFFFAOYSA-N -1 0 301.298 1.825 50 0 DDAARM COc1ccc(C(=O)CSc2nc([O-])cc(=O)[nH]2)cc1OC ZINC000018082439 182092590 /nfs/dbraw/zinc/09/25/90/182092590.db2.gz MMUFBGWFADSCJL-UHFFFAOYSA-N -1 0 322.342 1.468 50 0 DDAARM Cc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2C)cc1 ZINC000017945685 182087877 /nfs/dbraw/zinc/08/78/77/182087877.db2.gz VINQBTSHGQQHAI-UHFFFAOYSA-N -1 0 305.359 1.525 50 0 DDAARM COc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])c(OC)c1 ZINC000020614564 182238888 /nfs/dbraw/zinc/23/88/88/182238888.db2.gz HCUMYJYVQCHYHE-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM COc1ccccc1-c1nc(CC(=O)NCCC(=O)[O-])cs1 ZINC000020745595 182245623 /nfs/dbraw/zinc/24/56/23/182245623.db2.gz MWOJIHPNQGNJFS-UHFFFAOYSA-N -1 0 320.370 1.952 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000263267586 304186731 /nfs/dbraw/zinc/18/67/31/304186731.db2.gz HOZNJDBOWJFZEI-LSDHHAIUSA-N -1 0 319.357 1.934 50 0 DDAARM CSCC[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000036370018 182819684 /nfs/dbraw/zinc/81/96/84/182819684.db2.gz LHXBUJNLRXGPLP-LBPRGKRZSA-N -1 0 306.387 1.964 50 0 DDAARM CCCSc1ncc(Cl)c(C(=O)NCCC(=O)[O-])n1 ZINC000041155446 183178523 /nfs/dbraw/zinc/17/85/23/183178523.db2.gz WLFARDXJNOKLNH-UHFFFAOYSA-N -1 0 303.771 1.837 50 0 DDAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C2CC2)cc1OC ZINC000045922926 183536807 /nfs/dbraw/zinc/53/68/07/183536807.db2.gz SXSUWMPDTOUXIB-XHDPSFHLSA-N -1 0 305.330 1.840 50 0 DDAARM CCn1cc(CC(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc21 ZINC000269000069 207155377 /nfs/dbraw/zinc/15/53/77/207155377.db2.gz XZJXWCQYUITDFQ-HNNXBMFYSA-N -1 0 316.357 1.516 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CCO1 ZINC000269043924 207193034 /nfs/dbraw/zinc/19/30/34/207193034.db2.gz SBUYPVWRIAPCOA-BBRMVZONSA-N -1 0 317.385 1.884 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000062132432 184207887 /nfs/dbraw/zinc/20/78/87/184207887.db2.gz JVIUQSPZVIUJHT-LURJTMIESA-N -1 0 309.265 1.199 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)c1cc(Br)cn1C ZINC000062742066 184252198 /nfs/dbraw/zinc/25/21/98/184252198.db2.gz UEVXDHUCEZCUHM-UHFFFAOYSA-N -1 0 317.183 1.970 50 0 DDAARM COc1ccccc1-c1cc(CN2C[C@H](C(=O)[O-])CC2=O)on1 ZINC000065369995 184329511 /nfs/dbraw/zinc/32/95/11/184329511.db2.gz WLEXBNMUJPSNGZ-SNVBAGLBSA-N -1 0 316.313 1.783 50 0 DDAARM COc1ccccc1CCC(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] ZINC000065380676 184331979 /nfs/dbraw/zinc/33/19/79/184331979.db2.gz NVJTVGDVHIOKKV-QWHCGFSZSA-N -1 0 307.346 1.064 50 0 DDAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCO1 ZINC000238124693 256600063 /nfs/dbraw/zinc/60/00/63/256600063.db2.gz UXLNJMDMAUNWPY-CYBMUJFWSA-N -1 0 313.300 1.947 50 0 DDAARM Cc1ccccc1N1C(=O)[C@@H]2C(C(=O)c3ccco3)=NOC2=C1[O-] ZINC000100355237 257272816 /nfs/dbraw/zinc/27/28/16/257272816.db2.gz DKYXYHSXOOWNCQ-IUODEOHRSA-N -1 0 324.292 1.715 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCO1 ZINC000238124954 257237581 /nfs/dbraw/zinc/23/75/81/257237581.db2.gz AFAAQTHJLKEPBI-CYBMUJFWSA-N -1 0 322.748 1.607 50 0 DDAARM Cc1noc(C)c1C[C@H](C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000124379867 195635353 /nfs/dbraw/zinc/63/53/53/195635353.db2.gz OTJBTDJIHIAGSL-ZETCQYMHSA-N -1 0 323.374 1.941 50 0 DDAARM O=C([O-])CSCC(=O)Nc1ccc(-c2csnn2)cc1 ZINC000000106644 406620525 /nfs/dbraw/zinc/62/05/25/406620525.db2.gz GADODXDIAINKIX-UHFFFAOYSA-N -1 0 309.372 1.961 50 0 DDAARM O=C([O-])c1cccnc1SCC(=O)NC(=O)c1ccccc1 ZINC000000138061 406623821 /nfs/dbraw/zinc/62/38/21/406623821.db2.gz ARYUECVUHHQTQJ-UHFFFAOYSA-N -1 0 316.338 1.829 50 0 DDAARM O=S(=O)([O-])[C@@H](O)c1cccc(I)c1 ZINC000001885427 406680646 /nfs/dbraw/zinc/68/06/46/406680646.db2.gz UPXYKLJIKNGBRY-SSDOTTSWSA-N -1 0 314.100 1.170 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000003150130 406713958 /nfs/dbraw/zinc/71/39/58/406713958.db2.gz XGDABHXCVGCHBB-WDEREUQCSA-N -1 0 312.366 1.462 50 0 DDAARM CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)s2)C1=O ZINC000008268965 406783461 /nfs/dbraw/zinc/78/34/61/406783461.db2.gz WUDNJYLTPFIFQE-NSHDSACASA-N -1 0 301.755 1.767 50 0 DDAARM CCCc1cc(=O)n2nc(C(=O)NCc3ccccc3)[n-]c2n1 ZINC000008914919 406797862 /nfs/dbraw/zinc/79/78/62/406797862.db2.gz WZDNNNHIXUFKCP-UHFFFAOYSA-N -1 0 311.345 1.712 50 0 DDAARM CCCNC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530235 406810506 /nfs/dbraw/zinc/81/05/06/406810506.db2.gz BNBIZIPSTDXTSM-UHFFFAOYSA-N -1 0 313.404 1.416 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2ccc(C(=O)NC3CC3)cc2)[C@@H]1C(=O)[O-] ZINC000071285428 406836323 /nfs/dbraw/zinc/83/63/23/406836323.db2.gz JRCJVBNVDJJRAY-QWHCGFSZSA-N -1 0 316.357 1.874 50 0 DDAARM Nc1c2cccnc2sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000015019437 406878931 /nfs/dbraw/zinc/87/89/31/406878931.db2.gz QQBFDMZXBNSSDT-UHFFFAOYSA-N -1 0 305.359 1.815 50 0 DDAARM O=C([O-])C1(NC(=O)CCNC(=O)c2ccsc2)CCCCC1 ZINC000071802809 406844185 /nfs/dbraw/zinc/84/41/85/406844185.db2.gz UDYSEKDMNWJPQE-UHFFFAOYSA-N -1 0 324.402 1.772 50 0 DDAARM COc1ccc([C@@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)cc1 ZINC000012391740 406844469 /nfs/dbraw/zinc/84/44/69/406844469.db2.gz CROVLYZKVXXNPT-JTQLQIEISA-N -1 0 313.309 1.994 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000037518408 406990729 /nfs/dbraw/zinc/99/07/29/406990729.db2.gz CQMYIZIZBACJQZ-NXEZZACHSA-N -1 0 303.236 1.922 50 0 DDAARM CC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000037913985 406995365 /nfs/dbraw/zinc/99/53/65/406995365.db2.gz RDEKTJGRWQERJF-JTQLQIEISA-N -1 0 313.375 1.957 50 0 DDAARM C[C@@H]1S[C@]2([N-]c3ncnn3C1=O)C(=O)Nc1ccccc12 ZINC000038538212 406999953 /nfs/dbraw/zinc/99/99/53/406999953.db2.gz CTXZEQMRYMJXEH-CPFSXVBKSA-N -1 0 301.331 1.271 50 0 DDAARM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000048991514 407113160 /nfs/dbraw/zinc/11/31/60/407113160.db2.gz ZPJHGPQMEMJJBY-UHFFFAOYSA-N -1 0 323.374 1.922 50 0 DDAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)[nH]n1 ZINC000095959086 407217250 /nfs/dbraw/zinc/21/72/50/407217250.db2.gz KDXUTEKAQHFOIY-UHFFFAOYSA-N -1 0 313.357 1.977 50 0 DDAARM Cc1snc2sc3c([n-]c(CC(=O)NC(C)C)nc3=O)c12 ZINC000096008318 407223551 /nfs/dbraw/zinc/22/35/51/407223551.db2.gz HPQXBCRSWOEARR-UHFFFAOYSA-N -1 0 322.415 1.970 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCCNC3=O)cc1 ZINC000065258624 407241299 /nfs/dbraw/zinc/24/12/99/407241299.db2.gz UBWCHSWPPDIBGZ-UHFFFAOYSA-N -1 0 319.386 1.731 50 0 DDAARM Cc1nc2c([N-]S(=O)(=O)c3c(C)noc3C)cccn2n1 ZINC000065283963 407241885 /nfs/dbraw/zinc/24/18/85/407241885.db2.gz VLZGLMWMANRHHZ-UHFFFAOYSA-N -1 0 307.335 1.443 50 0 DDAARM CC(C)COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675340 407314556 /nfs/dbraw/zinc/31/45/56/407314556.db2.gz HTZWYHQRGJQAGM-GFCCVEGCSA-N -1 0 315.333 1.691 50 0 DDAARM Cn1cc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cn1 ZINC000096480128 407270526 /nfs/dbraw/zinc/27/05/26/407270526.db2.gz BFKKOJIPHQYXCS-UHFFFAOYSA-N -1 0 323.299 1.815 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2Cc3cccc(F)c3O2)n1 ZINC000122775974 407310087 /nfs/dbraw/zinc/31/00/87/407310087.db2.gz RCMLMDGCTVHBKL-JTQLQIEISA-N -1 0 305.265 1.049 50 0 DDAARM O=C([O-])c1cc(Nc2ccnc(N3CCOCC3)n2)ccc1O ZINC000170621797 407457156 /nfs/dbraw/zinc/45/71/56/407457156.db2.gz UCYVULMFFNDZGT-UHFFFAOYSA-N -1 0 316.317 1.461 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccccn1)c1ccc(Cl)cc1 ZINC000170619550 407457261 /nfs/dbraw/zinc/45/72/61/407457261.db2.gz AZBJBBOUINDYJF-UHFFFAOYSA-N -1 0 310.762 1.995 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000261611809 407552364 /nfs/dbraw/zinc/55/23/64/407552364.db2.gz AUJIPPRILNQQGH-NSHDSACASA-N -1 0 317.407 1.057 50 0 DDAARM O=C([O-])C1(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)CC1 ZINC000237921991 407849839 /nfs/dbraw/zinc/84/98/39/407849839.db2.gz GXSSUJOBICKOID-UHFFFAOYSA-N -1 0 323.780 1.685 50 0 DDAARM Cc1noc(C)c1C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000262948626 407980906 /nfs/dbraw/zinc/98/09/06/407980906.db2.gz HCKLSFFUFVIOQI-CQSZACIVSA-N -1 0 316.313 1.782 50 0 DDAARM O=C([O-])CCCNC(=O)Nc1ccncc1Br ZINC000263059447 408013276 /nfs/dbraw/zinc/01/32/76/408013276.db2.gz OHAJQUJHKJLTEL-UHFFFAOYSA-N -1 0 302.128 1.830 50 0 DDAARM Cc1nscc1C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263086435 408021318 /nfs/dbraw/zinc/02/13/18/408021318.db2.gz QCYANJCITPLKTQ-ZDUSSCGKSA-N -1 0 318.354 1.942 50 0 DDAARM Cn1cc(N2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)cn1 ZINC000263202096 408056104 /nfs/dbraw/zinc/05/61/04/408056104.db2.gz KCUIOBCDJVUREU-UHFFFAOYSA-N -1 0 314.345 1.081 50 0 DDAARM CCc1ncc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cn1 ZINC000161910856 408650852 /nfs/dbraw/zinc/65/08/52/408650852.db2.gz IJXSRMSEZOMCKV-UHFFFAOYSA-N -1 0 305.359 1.775 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cc(C3CC3)n[nH]2)(C(=O)[O-])C1(C)C ZINC000193042821 408687721 /nfs/dbraw/zinc/68/77/21/408687721.db2.gz QSHGSGVMQNIUJH-LRDDRELGSA-N -1 0 321.377 1.675 50 0 DDAARM COc1ccc2nc(C(=O)N3CC[C@@H](C(=O)[O-])C3)ccc2c1 ZINC000178261889 408795092 /nfs/dbraw/zinc/79/50/92/408795092.db2.gz BCCMEAWTELDADX-LLVKDONJSA-N -1 0 300.314 1.790 50 0 DDAARM CCC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)[O-])CC3)CC1 ZINC000169676894 408819944 /nfs/dbraw/zinc/81/99/44/408819944.db2.gz PQUMXCIATGTEHC-SNVBAGLBSA-N -1 0 323.418 1.391 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1csc(-c2cnccn2)n1 ZINC000262816903 163881762 /nfs/dbraw/zinc/88/17/62/163881762.db2.gz DTPLIBUDXQYPMQ-BDAKNGLRSA-N -1 0 318.358 1.583 50 0 DDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000262932874 163894285 /nfs/dbraw/zinc/89/42/85/163894285.db2.gz PBUPMWQLRFMUKG-YOEHRIQHSA-N -1 0 303.358 1.666 50 0 DDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cnn3ccccc23)C1 ZINC000263088019 163913445 /nfs/dbraw/zinc/91/34/45/163913445.db2.gz QHAJYRPFMNZBEQ-MNOVXSKESA-N -1 0 303.318 1.039 50 0 DDAARM CSCC[C@H](NC(=O)Cn1cc(Cl)c(C)n1)C(=O)[O-] ZINC000299777042 410620626 /nfs/dbraw/zinc/62/06/26/410620626.db2.gz NLFIAGUBWGZRML-VIFPVBQESA-N -1 0 305.787 1.167 50 0 DDAARM Cn1ccnc1CN1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426420148 419465065 /nfs/dbraw/zinc/46/50/65/419465065.db2.gz OZKMOSFSHMWABN-LBPRGKRZSA-N -1 0 303.366 1.081 50 0 DDAARM CSC[C@H](NC(=O)CCn1cnc2ccccc21)C(=O)[O-] ZINC000426658148 419525800 /nfs/dbraw/zinc/52/58/00/419525800.db2.gz ASWGRLKJMIHYKH-NSHDSACASA-N -1 0 307.375 1.359 50 0 DDAARM CC(C)(C)n1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c1 ZINC000426545117 419501978 /nfs/dbraw/zinc/50/19/78/419501978.db2.gz TWRGXZJACSORFJ-LBPRGKRZSA-N -1 0 304.350 1.392 50 0 DDAARM COc1ccccc1OCCCN(C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000426596687 419513499 /nfs/dbraw/zinc/51/34/99/419513499.db2.gz XTJSAHUOFJJFAR-NSHDSACASA-N -1 0 310.350 1.579 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000299746206 229389254 /nfs/dbraw/zinc/38/92/54/229389254.db2.gz VSXSDAXITJHOEJ-ZDUSSCGKSA-N -1 0 312.329 1.909 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)CCO1 ZINC000299752522 229395908 /nfs/dbraw/zinc/39/59/08/229395908.db2.gz ULMPHDCORAPOLN-OLZOCXBDSA-N -1 0 319.357 1.645 50 0 DDAARM COc1cc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)ccc1C ZINC000630336509 422028031 /nfs/dbraw/zinc/02/80/31/422028031.db2.gz UUWXMOHMENRHDY-INIZCTEOSA-N -1 0 307.346 1.615 50 0 DDAARM Cc1oc(CN(C)C(=O)/C=C\c2cnn(C)c2)cc1C(=O)[O-] ZINC000606442715 422459388 /nfs/dbraw/zinc/45/93/88/422459388.db2.gz WREYYWFAZVCYTP-PLNGDYQASA-N -1 0 303.318 1.692 50 0 DDAARM CC(=O)Nc1ccc2c(c1)NC(=O)C[C@@H]2c1c[nH]nc1C(=O)[O-] ZINC000067965231 278205054 /nfs/dbraw/zinc/20/50/54/278205054.db2.gz HHJCYBKAVVEOCJ-JTQLQIEISA-N -1 0 314.301 1.540 50 0 DDAARM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2S(C)(=O)=O)C[C@@H](C)O1 ZINC000015443595 297077599 /nfs/dbraw/zinc/07/75/99/297077599.db2.gz KUHMXFFFEAEMPI-NXEZZACHSA-N -1 0 313.375 1.402 50 0 DDAARM COc1cccc([C@H]2C[C@@H](O)CN2c2cnc(C(=O)[O-])cn2)c1 ZINC000263375068 295328392 /nfs/dbraw/zinc/32/83/92/295328392.db2.gz BFDQTVWVLNTYIC-BXUZGUMPSA-N -1 0 315.329 1.496 50 0 DDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)CNC(=O)NC1CCCCC1 ZINC000263442636 300778187 /nfs/dbraw/zinc/77/81/87/300778187.db2.gz MQXNQNCJSJKPOL-OAHLLOKOSA-N -1 0 311.382 1.084 50 0 DDAARM Cc1cc2c(cc1C)[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])CO2 ZINC000263130118 301442089 /nfs/dbraw/zinc/44/20/89/301442089.db2.gz LLVZXKGQPFMSSA-QWHCGFSZSA-N -1 0 305.330 1.091 50 0 DDAARM Cc1nc2[n-]c(N3C(=O)c4ccccc4C3=O)nn2c(=O)c1C ZINC000009202806 302684991 /nfs/dbraw/zinc/68/49/91/302684991.db2.gz CRBDGEFTLDPQGI-UHFFFAOYSA-N -1 0 309.285 1.247 50 0 DDAARM Cc1ncc2c(c1O)[C@H](c1c([O-])n(C)c(=S)n(C)c1=O)OC2 ZINC000003999911 302705725 /nfs/dbraw/zinc/70/57/25/302705725.db2.gz CNVMFUBBVIQIQW-LLVKDONJSA-N -1 0 321.358 1.188 50 0 biogenic DDAARM Cn1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000265264209 302908136 /nfs/dbraw/zinc/90/81/36/302908136.db2.gz BGBSWOTVLNCJIK-RTXFEEFZSA-N -1 0 304.346 1.243 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262469888 303342822 /nfs/dbraw/zinc/34/28/22/303342822.db2.gz JEQKFWPWTQXNOL-MCIONIFRSA-N -1 0 316.357 1.643 50 0 DDAARM CCn1ncc2ccc(NC(=O)C3(C(=O)[O-])CCOCC3)cc21 ZINC000566856932 308065614 /nfs/dbraw/zinc/06/56/14/308065614.db2.gz DUEAXYDEQFXPFH-UHFFFAOYSA-N -1 0 317.345 1.876 50 0 DDAARM CCc1oc2ccccc2c1CN1CCN(CC(=O)[O-])C(=O)C1 ZINC000534653709 334312876 /nfs/dbraw/zinc/31/28/76/334312876.db2.gz LWDWQUOIWMROKN-UHFFFAOYSA-N -1 0 316.357 1.724 50 0 DDAARM CC1(C)CN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCO1 ZINC000036232105 337353737 /nfs/dbraw/zinc/35/37/37/337353737.db2.gz XPLDOYKNXGAADT-UHFFFAOYSA-N -1 0 313.375 1.325 50 0 DDAARM Cc1noc(CN2CCN(C(=O)c3c([O-])cccc3F)CC2)n1 ZINC000125519892 337383017 /nfs/dbraw/zinc/38/30/17/337383017.db2.gz RLBFYPSBMYJLES-UHFFFAOYSA-N -1 0 320.324 1.181 50 0 DDAARM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)C(=O)c1ccco1 ZINC000083857519 483985295 /nfs/dbraw/zinc/98/52/95/483985295.db2.gz NXHMAFWWVTYLLG-UHFFFAOYSA-N -1 0 308.334 1.255 50 0 DDAARM O=c1ccc(=O)n(CC[C@@H]2NN=C(c3ccccc3)S2)[n-]1 ZINC000670431809 484826661 /nfs/dbraw/zinc/82/66/61/484826661.db2.gz LGHITTVMPKDKSA-GFCCVEGCSA-N -1 0 302.359 1.363 50 0 DDAARM COc1cccc2c1OCC(C(=O)N(C)CCCC(=O)[O-])=C2 ZINC000299750633 533896114 /nfs/dbraw/zinc/89/61/14/533896114.db2.gz OEAVKOBQNZNWHE-UHFFFAOYSA-N -1 0 305.330 1.794 50 0 DDAARM C[C@H](CCc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299752549 533986285 /nfs/dbraw/zinc/98/62/85/533986285.db2.gz UOEDHWXPNYNUNO-RISCZKNCSA-N -1 0 309.337 1.706 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1cc2ccccc2o1 ZINC000299750970 534525637 /nfs/dbraw/zinc/52/56/37/534525637.db2.gz OXYFGIHZVZZJCP-ZDUSSCGKSA-N -1 0 303.314 1.677 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000299751492 528217709 /nfs/dbraw/zinc/21/77/09/528217709.db2.gz QREQOUIQPBNFQB-AWEZNQCLSA-N -1 0 307.346 1.328 50 0 DDAARM O=C([O-])CN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(F)cc1 ZINC000089780947 696579243 /nfs/dbraw/zinc/57/92/43/696579243.db2.gz BYDGXPDQWNDJDL-GPAKFWEMSA-N -1 0 307.321 1.931 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnccn2)C1 ZINC000219586661 771933592 /nfs/dbraw/zinc/93/35/92/771933592.db2.gz GFUKAYPBLVFLAN-OAHLLOKOSA-N -1 0 307.350 1.210 50 0 DDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cnn3ccccc23)C1 ZINC000263088022 539275998 /nfs/dbraw/zinc/27/59/98/539275998.db2.gz QHAJYRPFMNZBEQ-QWRGUYRKSA-N -1 0 303.318 1.039 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000263568396 539276205 /nfs/dbraw/zinc/27/62/05/539276205.db2.gz YLJBUAYOEWDVBB-KOLCDFICSA-N -1 0 308.309 1.158 50 0 DDAARM C[C@](NC(=O)[C@@H]1CCn2ccnc2C1)(C(=O)[O-])c1ccccc1 ZINC000623177906 365700957 /nfs/dbraw/zinc/70/09/57/365700957.db2.gz VGVVTKDWPOOMPK-SJKOYZFVSA-N -1 0 313.357 1.562 50 0 DDAARM Cn1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)ccc1=O ZINC000095424560 185361368 /nfs/dbraw/zinc/36/13/68/185361368.db2.gz AZXVYTYWKSOQLA-MRXNPFEDSA-N -1 0 300.314 1.115 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000071285767 190953519 /nfs/dbraw/zinc/95/35/19/190953519.db2.gz QZRLGUKSNDKVBD-ZJUUUORDSA-N -1 0 310.737 1.734 50 0 DDAARM CN(C)c1ncc(CNC(=O)c2ccc([O-])c(Cl)c2)n1C ZINC000072290887 191109021 /nfs/dbraw/zinc/10/90/21/191109021.db2.gz AUIJHOUDEQKNGD-UHFFFAOYSA-N -1 0 308.769 1.775 50 0 DDAARM Cc1nc2ccc(O)cc2c(=O)n1CC(=O)NCCC(C)C ZINC000072325877 191123624 /nfs/dbraw/zinc/12/36/24/191123624.db2.gz HWDVQQQCWNCHED-UHFFFAOYSA-N -1 0 303.362 1.573 50 0 DDAARM CC1(C)[C@@H](C(=O)NNC(=O)[C@H]2CC23CCC3)CC[C@]1(C)C(=O)[O-] ZINC000002565338 352110454 /nfs/dbraw/zinc/11/04/54/352110454.db2.gz ZLMAKDIFBKUXJD-GLKRBJQHSA-N -1 0 322.405 1.851 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(c3ccc(C)nn3)CC2)c1 ZINC000072426963 191160994 /nfs/dbraw/zinc/16/09/94/191160994.db2.gz HVBBXMZACUQCEJ-UHFFFAOYSA-N -1 0 301.350 1.370 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000072432574 191164118 /nfs/dbraw/zinc/16/41/18/191164118.db2.gz DKRYDPPSIRJLQF-CYBMUJFWSA-N -1 0 303.362 1.642 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(c2cnc3ccccc3n2)CC1 ZINC000072432853 191164886 /nfs/dbraw/zinc/16/48/86/191164886.db2.gz AALKUVHAKJQLFI-UHFFFAOYSA-N -1 0 323.356 1.907 50 0 DDAARM COc1cc(C[C@@H](NC(=O)c2ccccc2)C(=O)[O-])ccc1O ZINC000000391669 180775578 /nfs/dbraw/zinc/77/55/78/180775578.db2.gz ODTCNJWUFHCFJB-CYBMUJFWSA-N -1 0 315.325 1.827 50 0 DDAARM O=C([O-])c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 ZINC000072233692 353193697 /nfs/dbraw/zinc/19/36/97/353193697.db2.gz QAPLSYVCDYUZQZ-UHFFFAOYSA-N -1 0 306.285 1.516 50 0 DDAARM CN(C)c1ccc2c3c1cccc3C(=O)N(CCC(=O)[O-])C2=O ZINC000075283043 353357422 /nfs/dbraw/zinc/35/74/22/353357422.db2.gz CUCWYPZMZPNLGA-UHFFFAOYSA-N -1 0 312.325 1.977 50 0 DDAARM COCCN1[C@H](C)CN(C(=O)c2c([O-])cccc2F)C[C@H]1C ZINC000130626491 354095251 /nfs/dbraw/zinc/09/52/51/354095251.db2.gz HZLKKIQJRSDZPB-VXGBXAGGSA-N -1 0 310.369 1.713 50 0 DDAARM CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] ZINC000004218175 181085299 /nfs/dbraw/zinc/08/52/99/181085299.db2.gz HSFOCLWWAFICIJ-MRXNPFEDSA-N -1 0 302.330 1.850 50 0 DDAARM O=C([O-])c1cn([C@@H]2CCCCO2)nc1I ZINC000218465471 354313467 /nfs/dbraw/zinc/31/34/67/354313467.db2.gz BKPIZSKNOJQQDA-ZETCQYMHSA-N -1 0 322.102 1.885 50 0 DDAARM COCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000004488738 181114510 /nfs/dbraw/zinc/11/45/10/181114510.db2.gz ANUJABXYVZIPGJ-GZMMTYOYSA-N -1 0 323.345 1.290 50 0 DDAARM COc1cc(=O)[nH]c(SCC(=O)N[C@@H](C)c2ccccc2)n1 ZINC000004632314 181130793 /nfs/dbraw/zinc/13/07/93/181130793.db2.gz JTKLQIKKMKVWID-JTQLQIEISA-N -1 0 319.386 1.748 50 0 DDAARM O=C([O-])COCC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000004750295 181148295 /nfs/dbraw/zinc/14/82/95/181148295.db2.gz AFVJRROMTQRDBX-UHFFFAOYSA-N -1 0 312.753 1.090 50 0 DDAARM O=CNCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004764560 181149727 /nfs/dbraw/zinc/14/97/27/181149727.db2.gz WQGAAAXDBHLCJF-ZDUSSCGKSA-N -1 0 308.334 1.282 50 0 DDAARM C/C(=C\C(=O)N1CCC(C(=O)[O-])([S@](C)=O)CC1)C(C)(C)C ZINC000585134333 354811294 /nfs/dbraw/zinc/81/12/94/354811294.db2.gz NSBACUYHRVRFCC-ZJVMWOEPSA-N -1 0 315.435 1.803 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237115263 202156980 /nfs/dbraw/zinc/15/69/80/202156980.db2.gz BHPQCURQDAASIP-PRHODGIISA-N -1 0 324.299 1.157 50 0 DDAARM C[C@@H](CN(C)C(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000237375316 202248022 /nfs/dbraw/zinc/24/80/22/202248022.db2.gz BBTRRSZPTJXVOR-LBPRGKRZSA-N -1 0 318.373 1.535 50 0 DDAARM Cc1nn(CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c(C)c1Cl ZINC000237607391 202303165 /nfs/dbraw/zinc/30/31/65/202303165.db2.gz ZXMXMCGDVOLWSK-MRVPVSSYSA-N -1 0 313.785 1.865 50 0 DDAARM Cc1cc(F)c(C(=O)N(CC(=O)[O-])C2CCOCC2)cc1F ZINC000237648567 202317404 /nfs/dbraw/zinc/31/74/04/202317404.db2.gz YUPLCWNUICMRDJ-UHFFFAOYSA-N -1 0 313.300 1.979 50 0 DDAARM Cc1ccc2[nH]c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2c1C ZINC000237857283 202371750 /nfs/dbraw/zinc/37/17/50/202371750.db2.gz DDWLTDHZBPGVEZ-CQSZACIVSA-N -1 0 302.330 1.710 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CCC1 ZINC000237948217 202399765 /nfs/dbraw/zinc/39/97/65/202399765.db2.gz YQWHTHUUXIUIBD-ZDUSSCGKSA-N -1 0 316.357 1.159 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000128581035 304103753 /nfs/dbraw/zinc/10/37/53/304103753.db2.gz ZAJSSOMXMFXMBT-ZDUSSCGKSA-N -1 0 300.318 1.347 50 0 DDAARM O=c1cc([O-])c2ccc(OC[C@H](O)Cn3ccnc3)cc2o1 ZINC000006382927 181335815 /nfs/dbraw/zinc/33/58/15/181335815.db2.gz MXWWLYTXWFRTJB-SNVBAGLBSA-N -1 0 302.286 1.135 50 0 DDAARM O=S(=O)(Cc1ccc(Br)cc1)[N-]c1nc[nH]n1 ZINC000194559529 201251296 /nfs/dbraw/zinc/25/12/96/201251296.db2.gz WCTHLZCGBVEAMH-UHFFFAOYSA-N -1 0 317.168 1.509 50 0 DDAARM COC1(C)CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000621539119 364904490 /nfs/dbraw/zinc/90/44/90/364904490.db2.gz GUMGHAKTXGDNOB-UHFFFAOYSA-N -1 0 307.346 1.791 50 0 DDAARM Cc1nc(N)nc(C)c1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091644436 193084114 /nfs/dbraw/zinc/08/41/14/193084114.db2.gz KMWOIQCOGZFNQM-QWHCGFSZSA-N -1 0 320.393 1.033 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@@H]1OCCc2ccccc21 ZINC000268979379 304134749 /nfs/dbraw/zinc/13/47/49/304134749.db2.gz MCOPVVRXZCCUKJ-KBPBESRZSA-N -1 0 305.330 1.003 50 0 DDAARM O=S(=O)([N-]c1cncc(N2CCCC2)n1)c1cncc(F)c1 ZINC000253419080 202879121 /nfs/dbraw/zinc/87/91/21/202879121.db2.gz VCMLANMUEDFWLL-UHFFFAOYSA-N -1 0 323.353 1.412 50 0 DDAARM CC(=O)c1cccc(OCC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000262124198 203205676 /nfs/dbraw/zinc/20/56/76/203205676.db2.gz HDFINPJCEVPUNB-INIZCTEOSA-N -1 0 305.330 1.591 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000262449429 203296695 /nfs/dbraw/zinc/29/66/95/203296695.db2.gz WFDCKRAZCYXGLG-CHWSQXEVSA-N -1 0 307.321 1.668 50 0 DDAARM COCCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000262509204 203313861 /nfs/dbraw/zinc/31/38/61/203313861.db2.gz AXCZSHBKFLSZIN-CQSZACIVSA-N -1 0 307.346 1.791 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1ccc2ccccc2n1 ZINC000096133034 304150615 /nfs/dbraw/zinc/15/06/15/304150615.db2.gz PWPOTGBABAFLQF-HNNXBMFYSA-N -1 0 322.324 1.610 50 0 DDAARM CC(C)n1nc(C(=O)NCCCC(=O)[O-])c2ccccc2c1=O ZINC000009449169 181622033 /nfs/dbraw/zinc/62/20/33/181622033.db2.gz ZSPVXBNESIXMAF-UHFFFAOYSA-N -1 0 317.345 1.572 50 0 DDAARM COC(=O)CNC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000016917093 182064295 /nfs/dbraw/zinc/06/42/95/182064295.db2.gz WTCLDORDBTUWQL-UHFFFAOYSA-N -1 0 313.309 1.955 50 0 DDAARM CC(=O)Nc1ccc(C(=O)CSc2nc([O-])cc(=O)[nH]2)cc1 ZINC000017920163 182088076 /nfs/dbraw/zinc/08/80/76/182088076.db2.gz STTXGHVXBSPXEL-UHFFFAOYSA-N -1 0 319.342 1.409 50 0 DDAARM O=C1CCCN1CCC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000021871002 182295700 /nfs/dbraw/zinc/29/57/00/182295700.db2.gz LJXPNLUFVGHEMJ-UHFFFAOYSA-N -1 0 318.345 1.256 50 0 DDAARM CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000034927247 182745432 /nfs/dbraw/zinc/74/54/32/182745432.db2.gz YHOVAULAUBWDJA-NSHDSACASA-N -1 0 322.361 1.745 50 0 DDAARM Cc1c2ccccc2sc1C(=O)N[C@@H](CC(N)=O)C(=O)[O-] ZINC000037416724 182890673 /nfs/dbraw/zinc/89/06/73/182890673.db2.gz KZHLFYFTNUUHKB-VIFPVBQESA-N -1 0 306.343 1.268 50 0 DDAARM CCCCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675111 193834739 /nfs/dbraw/zinc/83/47/39/193834739.db2.gz WBVUOIXBEYYHID-LBPRGKRZSA-N -1 0 315.333 1.835 50 0 DDAARM CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000040546194 183099231 /nfs/dbraw/zinc/09/92/31/183099231.db2.gz DBKTYIOXFDBCLS-GFCCVEGCSA-N -1 0 306.318 1.944 50 0 DDAARM COc1cc(/C=C/C(=O)[N-]S(C)(=O)=O)ccc1OC(C)C ZINC000042280710 183250031 /nfs/dbraw/zinc/25/00/31/183250031.db2.gz IKZYFSLDCNJXMM-SOFGYWHQSA-N -1 0 313.375 1.571 50 0 DDAARM C[C@H](Oc1cccc(F)c1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043510123 183368651 /nfs/dbraw/zinc/36/86/51/183368651.db2.gz GNKNNGJYNGHCSO-LKFCYVNXSA-N -1 0 313.350 1.670 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)CCOCc2ccccc2)CCO1 ZINC000268939880 207105340 /nfs/dbraw/zinc/10/53/40/207105340.db2.gz DSUGMSDANKMKFT-AWEZNQCLSA-N -1 0 307.346 1.295 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000268997319 207153370 /nfs/dbraw/zinc/15/33/70/207153370.db2.gz WTJSCCUEZUCAJH-NSHDSACASA-N -1 0 317.263 1.560 50 0 DDAARM C[C@H]1CCc2c(C(=O)N3CCO[C@H](C(=O)[O-])C3)csc2C1 ZINC000059226896 184136078 /nfs/dbraw/zinc/13/60/78/184136078.db2.gz DYQXSKDMKSZKQB-CABZTGNLSA-N -1 0 309.387 1.799 50 0 DDAARM Nc1nc2ccc(C(=O)[O-])cc2c(NC[C@H]2CCCC[C@H]2O)n1 ZINC000065489786 184353181 /nfs/dbraw/zinc/35/31/81/184353181.db2.gz NTEMIGGVBWHTHG-ZWNOBZJWSA-N -1 0 316.361 1.873 50 0 DDAARM O=C([O-])CSc1nnc2c(=O)n(Cc3ccccc3)ccn12 ZINC000065534277 184362067 /nfs/dbraw/zinc/36/20/67/184362067.db2.gz WBADGYNLINLUOH-UHFFFAOYSA-N -1 0 316.342 1.116 50 0 DDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(CCc1ccccc1)c2=O ZINC000000201450 304253588 /nfs/dbraw/zinc/25/35/88/304253588.db2.gz RBBUXJNQFLAMHZ-UHFFFAOYSA-N -1 0 310.309 1.631 50 0 DDAARM O=C(c1ncccc1O)N1CCc2[nH]c(-c3cccnc3)nc2C1 ZINC000216488352 257273753 /nfs/dbraw/zinc/27/37/53/257273753.db2.gz WUHVBRQTJIEMHB-UHFFFAOYSA-N -1 0 321.340 1.771 50 0 DDAARM Cc1c(C(=O)N(C)[C@@H](C)C(=O)[O-])cccc1N1CCNC1=O ZINC000342542231 257236985 /nfs/dbraw/zinc/23/69/85/257236985.db2.gz GLQZRHGDOWKHBQ-JTQLQIEISA-N -1 0 305.334 1.070 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2cc(-n3cnnn3)ccc2F)[C@@H]1C(=O)[O-] ZINC000071280941 257253685 /nfs/dbraw/zinc/25/36/85/257253685.db2.gz OWISLOOEQCSIFW-WDEREUQCSA-N -1 0 319.296 1.097 50 0 DDAARM COc1cc2c(cc1OC)[C@@H]([N-]C(=O)C(F)(F)F)C[C@H]2O ZINC000001394842 286259882 /nfs/dbraw/zinc/25/98/82/286259882.db2.gz JISVZQDTSKRCPM-DTWKUNHWSA-N -1 0 305.252 1.861 50 0 DDAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000053903 406618734 /nfs/dbraw/zinc/61/87/34/406618734.db2.gz CGRCVIZBNRUWLY-HNNXBMFYSA-N -1 0 319.382 1.969 50 0 biogenic,in-vitro DDAARM O=C(NC[C@H]1CCCO1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001321720 406665518 /nfs/dbraw/zinc/66/55/18/406665518.db2.gz GTWRUSOQRWPQNY-LLVKDONJSA-N -1 0 314.341 1.172 50 0 DDAARM CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC000002541469 406690634 /nfs/dbraw/zinc/69/06/34/406690634.db2.gz KEMNWHGXIQXFNZ-JTQLQIEISA-N -1 0 312.366 1.319 50 0 DDAARM CCc1nnc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)s1 ZINC000002655262 406694259 /nfs/dbraw/zinc/69/42/59/406694259.db2.gz WJTLOPSMCIDZLM-UHFFFAOYSA-N -1 0 303.351 1.407 50 0 DDAARM CS(=O)(=O)c1ccc(-c2nnc(SCC(=O)[O-])o2)cc1 ZINC000009764094 406812904 /nfs/dbraw/zinc/81/29/04/406812904.db2.gz NPKDZEFZITWKJY-UHFFFAOYSA-N -1 0 314.344 1.317 50 0 DDAARM COc1cc2c(cc(C(=O)NCCC(=O)[O-])n2C)c(OC)c1 ZINC000011867339 406832433 /nfs/dbraw/zinc/83/24/33/406832433.db2.gz IRLWFAZRUFGKDP-UHFFFAOYSA-N -1 0 306.318 1.400 50 0 DDAARM CN1C(=O)COc2cc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)ccc21 ZINC000071287293 406837849 /nfs/dbraw/zinc/83/78/49/406837849.db2.gz PJWXYJYIJOWZLJ-STQMWFEESA-N -1 0 318.329 1.337 50 0 DDAARM Cc1ccc(-n2cc(S(=O)(=O)[N-]c3ccn(C)n3)cn2)cc1 ZINC000071914688 406866508 /nfs/dbraw/zinc/86/65/08/406866508.db2.gz AIBQYFMCQSLCOH-UHFFFAOYSA-N -1 0 317.374 1.715 50 0 DDAARM O=C(Cc1csc([N-]c2ncccn2)n1)NCC(F)(F)F ZINC000049029432 407113184 /nfs/dbraw/zinc/11/31/84/407113184.db2.gz RBNAFIPOHDMUQJ-UHFFFAOYSA-N -1 0 317.296 1.898 50 0 DDAARM Cn1ncnc1CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080033896 407069234 /nfs/dbraw/zinc/06/92/34/407069234.db2.gz DARHUIPVBZGVGI-UHFFFAOYSA-N -1 0 301.133 1.758 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](C)c3nc[nH]n3)c12 ZINC000055325364 407201021 /nfs/dbraw/zinc/20/10/21/407201021.db2.gz USDWBNISUPFSGL-LURJTMIESA-N -1 0 304.335 1.989 50 0 DDAARM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2nc(C)c[nH]2)c1OC ZINC000095369929 407209819 /nfs/dbraw/zinc/20/98/19/407209819.db2.gz DSIMTSOWKMLXFE-AWEZNQCLSA-N -1 0 319.361 1.993 50 0 DDAARM COC(=O)C1(NC(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC000095945852 407216335 /nfs/dbraw/zinc/21/63/35/407216335.db2.gz OFIBAYWUJMHWLI-UHFFFAOYSA-N -1 0 303.236 1.846 50 0 DDAARM C[C@H](CCC(=O)[O-])NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000095991891 407221559 /nfs/dbraw/zinc/22/15/59/407221559.db2.gz MJIQNKCCMTYNTL-GFCCVEGCSA-N -1 0 301.346 1.915 50 0 DDAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)ccn1 ZINC000067723386 407281460 /nfs/dbraw/zinc/28/14/60/407281460.db2.gz XHJPTOODPAVJCT-AWEZNQCLSA-N -1 0 316.361 1.930 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)[O-] ZINC000067742596 407282338 /nfs/dbraw/zinc/28/23/38/407282338.db2.gz DVYSSKYANHCGEN-ZDUSSCGKSA-N -1 0 313.317 1.459 50 0 DDAARM CC(=O)c1cc(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cs1 ZINC000097681967 407301449 /nfs/dbraw/zinc/30/14/49/407301449.db2.gz LMWQMSNZNAVCSR-GFCCVEGCSA-N -1 0 305.359 1.685 50 0 DDAARM O=c1c2c([n-]n1-c1nc(-c3ccccc3)cc(=O)[nH]1)CCCC2 ZINC000100925548 407308827 /nfs/dbraw/zinc/30/88/27/407308827.db2.gz OOUVWNHMMDXNIM-UHFFFAOYSA-N -1 0 308.341 1.795 50 0 DDAARM Cc1ccc(CNC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000257185422 407482702 /nfs/dbraw/zinc/48/27/02/407482702.db2.gz WUKRXYHPVPKWHZ-CYBMUJFWSA-N -1 0 300.366 1.597 50 0 DDAARM Cc1nc(N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000222413276 407557649 /nfs/dbraw/zinc/55/76/49/407557649.db2.gz JVIUOOVAQGKTIY-PEXQALLHSA-N -1 0 323.784 1.802 50 0 DDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000226088026 407614552 /nfs/dbraw/zinc/61/45/52/407614552.db2.gz ISWWMBCHFPYWGB-UHFFFAOYSA-N -1 0 315.347 1.089 50 0 DDAARM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262430662 407834888 /nfs/dbraw/zinc/83/48/88/407834888.db2.gz MHIDBNHUINBLAF-SNVBAGLBSA-N -1 0 308.334 1.111 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1 ZINC000237988420 407862452 /nfs/dbraw/zinc/86/24/52/407862452.db2.gz FXGLTADVCYDEOC-UHFFFAOYSA-N -1 0 300.318 1.454 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000238090866 407890236 /nfs/dbraw/zinc/89/02/36/407890236.db2.gz INDQUXTVXGZFLO-NXEZZACHSA-N -1 0 308.300 1.336 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC000238123896 407893530 /nfs/dbraw/zinc/89/35/30/407893530.db2.gz OQOKRLGZFBREPA-CYBMUJFWSA-N -1 0 306.293 1.162 50 0 DDAARM COc1nc(C)ccc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000262851167 407955282 /nfs/dbraw/zinc/95/52/82/407955282.db2.gz DPNRHCYPCMDMTL-DMDPSCGWSA-N -1 0 304.346 1.724 50 0 DDAARM CCc1cc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)n[nH]1 ZINC000263033501 408005460 /nfs/dbraw/zinc/00/54/60/408005460.db2.gz MXFGUPWICBHPNH-UHFFFAOYSA-N -1 0 303.318 1.712 50 0 DDAARM Cc1noc(-c2ccccc2C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000136135408 408080561 /nfs/dbraw/zinc/08/05/61/408080561.db2.gz AQLOVIDAEREHPL-LLVKDONJSA-N -1 0 315.329 1.982 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000191658574 408464960 /nfs/dbraw/zinc/46/49/60/408464960.db2.gz XCECXMQUNDNANL-UWVGGRQHSA-N -1 0 303.343 1.542 50 0 DDAARM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)CC(=O)[O-] ZINC000237142673 163370783 /nfs/dbraw/zinc/37/07/83/163370783.db2.gz OVOAYMHDKZRMBG-AWEZNQCLSA-N -1 0 304.346 1.065 50 0 DDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1F ZINC000263457800 163969538 /nfs/dbraw/zinc/96/95/38/163969538.db2.gz BDQJEOBWDUKYQP-DTWKUNHWSA-N -1 0 319.329 1.839 50 0 DDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CCc2ncncc2C1 ZINC000647733947 423019629 /nfs/dbraw/zinc/01/96/29/423019629.db2.gz KQNMMZUHRXKEAN-GXTWGEPZSA-N -1 0 317.389 1.827 50 0 DDAARM Cn1c(CNC(=O)c2ccc(C(=O)[O-])cn2)nnc1C1CCC1 ZINC000647741368 423026173 /nfs/dbraw/zinc/02/61/73/423026173.db2.gz AYAGBAUZXWCICM-UHFFFAOYSA-N -1 0 315.333 1.106 50 0 DDAARM O=S(=O)([N-]c1cnccn1)c1cnn(-c2ccccc2)c1 ZINC000137257557 196570262 /nfs/dbraw/zinc/57/02/62/196570262.db2.gz CILFQVVENNMKPJ-UHFFFAOYSA-N -1 0 301.331 1.463 50 0 DDAARM O=C([O-])C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccccc1Cl ZINC000044915365 418432002 /nfs/dbraw/zinc/43/20/02/418432002.db2.gz IJMKRTZSHCIDSX-NSHDSACASA-N -1 0 321.720 1.781 50 0 DDAARM Cc1cc(C)c(S(=O)(=O)N2CCOC[C@@H]2CC(=O)[O-])s1 ZINC000312899993 418591631 /nfs/dbraw/zinc/59/16/31/418591631.db2.gz YGODHBIQSOXZBG-JTQLQIEISA-N -1 0 319.404 1.229 50 0 DDAARM Cn1cc(Cl)c(C(=O)NCCc2nc(C(=O)[O-])cs2)n1 ZINC000426359577 228562323 /nfs/dbraw/zinc/56/23/23/228562323.db2.gz GAITYMWXUXDZMH-UHFFFAOYSA-N -1 0 314.754 1.201 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000492298395 420514984 /nfs/dbraw/zinc/51/49/84/420514984.db2.gz WAWDAZSBAKAKDZ-OYVUYXNMSA-N -1 0 302.330 1.135 50 0 DDAARM O=C([O-])c1cnc(/C=C\c2cn(C[C@H]3CCOC3)nn2)s1 ZINC000630952032 422439431 /nfs/dbraw/zinc/43/94/31/422439431.db2.gz UMFXPCOVIHWXTA-JKERVTFKSA-N -1 0 306.347 1.640 50 0 DDAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)cc1F ZINC000653496495 423502654 /nfs/dbraw/zinc/50/26/54/423502654.db2.gz TUUJEKCYCUWSBB-UHFFFAOYSA-N -1 0 301.339 1.762 50 0 DDAARM COc1cc(OC)c(CN(C)Cc2noc(C)n2)c(C(=O)[O-])c1 ZINC000097657246 295005543 /nfs/dbraw/zinc/00/55/43/295005543.db2.gz UNMMRLFMGCFFJY-UHFFFAOYSA-N -1 0 321.333 1.725 50 0 DDAARM CS(=O)(=O)c1cc(F)ccc1N1CCCC[C@H]1C(=O)[O-] ZINC000015443182 295554829 /nfs/dbraw/zinc/55/48/29/295554829.db2.gz KJTREUDOCPYOMV-NSHDSACASA-N -1 0 301.339 1.673 50 0 DDAARM C[C@H](CNC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1)C(=O)[O-] ZINC000237446354 298759661 /nfs/dbraw/zinc/75/96/61/298759661.db2.gz MYSZSGYTWPXYJQ-NEPJUHHUSA-N -1 0 310.394 1.395 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000299743801 300781089 /nfs/dbraw/zinc/78/10/89/300781089.db2.gz MITKXRBTKOEHAC-AWEZNQCLSA-N -1 0 317.407 1.057 50 0 DDAARM C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000005018894 300856685 /nfs/dbraw/zinc/85/66/85/300856685.db2.gz JNJUYMAVYLYJRG-SKNMWMDOSA-N -1 0 313.309 1.608 50 0 DDAARM Cc1cc(I)c2nc(C(=O)[O-])cn2c1 ZINC000095630352 301326369 /nfs/dbraw/zinc/32/63/69/301326369.db2.gz FBPOEIDRMIQUKV-UHFFFAOYSA-N -1 0 302.071 1.946 50 0 DDAARM CC(C)[C@@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1cccnc1 ZINC000534671632 334320479 /nfs/dbraw/zinc/32/04/79/334320479.db2.gz BKHDZGBGARGWCL-CQSZACIVSA-N -1 0 302.334 1.339 50 0 DDAARM O=C([O-])CN1CC[C@H](Oc2ccc(Cl)c(F)c2F)C1=O ZINC000663220043 484743147 /nfs/dbraw/zinc/74/31/47/484743147.db2.gz MQWXQWLXPZXUCI-QMMMGPOBSA-N -1 0 305.664 1.683 50 0 DDAARM O=C([O-])CCNC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000299749238 534493474 /nfs/dbraw/zinc/49/34/74/534493474.db2.gz JNZWCTQTOWXUKS-NSHDSACASA-N -1 0 310.737 1.284 50 0 DDAARM Cc1n[nH]cc1S(=O)(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21 ZINC000169990569 563902284 /nfs/dbraw/zinc/90/22/84/563902284.db2.gz QTYLYUZIGAJTFY-SNVBAGLBSA-N -1 0 321.358 1.485 50 0 DDAARM Cc1cc2ncc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)c(C)n2n1 ZINC000263524746 698511569 /nfs/dbraw/zinc/51/15/69/698511569.db2.gz STIVYCUTALTZLH-ZYHUDNBSSA-N -1 0 316.361 1.671 50 0 DDAARM Cc1nnc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)[nH]1 ZINC000095519576 185377002 /nfs/dbraw/zinc/37/70/02/185377002.db2.gz AOUSPONQWBSRJU-MLGOLLRUSA-N -1 0 314.345 1.176 50 0 DDAARM Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)NCC(=O)[O-] ZINC000000479862 190614523 /nfs/dbraw/zinc/61/45/23/190614523.db2.gz BWZFEPJQGBSXSD-UHFFFAOYSA-N -1 0 317.297 1.841 50 0 DDAARM CCc1nn(C)c(Cl)c1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000072157969 191060937 /nfs/dbraw/zinc/06/09/37/191060937.db2.gz ONRMTCQTYDZYMC-VIFPVBQESA-N -1 0 301.774 1.311 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(NCCc3c[nH]cn3)n2)c1 ZINC000072406966 191152821 /nfs/dbraw/zinc/15/28/21/191152821.db2.gz JFOPTZVWGIKZOC-UHFFFAOYSA-N -1 0 310.317 1.615 50 0 DDAARM CC(=O)Oc1ccc(I)cc1C(=O)[O-] ZINC000001604684 180877598 /nfs/dbraw/zinc/87/75/98/180877598.db2.gz WZHXVERXLFPQCU-UHFFFAOYSA-N -1 0 306.055 1.915 50 0 DDAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000003566353 181035727 /nfs/dbraw/zinc/03/57/27/181035727.db2.gz XYMJAGDUXROQRM-UHFFFAOYSA-N -1 0 323.374 1.922 50 0 DDAARM CN(Cc1cscn1)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC000584902671 354801825 /nfs/dbraw/zinc/80/18/25/354801825.db2.gz BZYOUKJEINNHIG-UHFFFAOYSA-N -1 0 307.379 1.086 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000237173279 202174576 /nfs/dbraw/zinc/17/45/76/202174576.db2.gz RUDVSHOJBKZZAN-RNVIBTMRSA-N -1 0 316.357 1.525 50 0 DDAARM O=C([O-])CN(C(=O)C(=O)c1ccccc1)c1ncccc1O ZINC000601014390 358382849 /nfs/dbraw/zinc/38/28/49/358382849.db2.gz HXVHSOGNDOANQH-UHFFFAOYSA-N -1 0 300.270 1.088 50 0 DDAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000237427517 202262987 /nfs/dbraw/zinc/26/29/87/202262987.db2.gz HMLHPMNXHOETKR-DGCLKSJQSA-N -1 0 304.346 1.075 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)CCO1 ZINC000269045135 304084092 /nfs/dbraw/zinc/08/40/92/304084092.db2.gz SGCDWODKGFIQRM-DZGCQCFKSA-N -1 0 303.358 1.809 50 0 DDAARM C[C@H](CN(C)C(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000237544963 202278165 /nfs/dbraw/zinc/27/81/65/202278165.db2.gz BBTRRSZPTJXVOR-GFCCVEGCSA-N -1 0 318.373 1.535 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000237659148 202320251 /nfs/dbraw/zinc/32/02/51/202320251.db2.gz MLMPDUMIPUNMTK-OAHLLOKOSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237700399 202332062 /nfs/dbraw/zinc/33/20/62/202332062.db2.gz BVCVEYCSBJFCSD-AWEZNQCLSA-N -1 0 320.320 1.470 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237805074 202359876 /nfs/dbraw/zinc/35/98/76/202359876.db2.gz WZIVCMISAYJAPM-ZDUSSCGKSA-N -1 0 300.318 1.265 50 0 DDAARM Cc1cc2ccccc2n1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237812016 202361248 /nfs/dbraw/zinc/36/12/48/202361248.db2.gz QNRFCDZXAKJZIW-AWEZNQCLSA-N -1 0 302.330 1.262 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000238083289 202438033 /nfs/dbraw/zinc/43/80/33/202438033.db2.gz MKXDKFLOQMHXMP-LBPRGKRZSA-N -1 0 321.348 1.807 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CCO1 ZINC000238196745 202449644 /nfs/dbraw/zinc/44/96/44/202449644.db2.gz ZDEMQOFIHHLIEN-MGPQQGTHSA-N -1 0 307.321 1.631 50 0 DDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)[nH]nc1C(F)(F)F ZINC000006269982 181324930 /nfs/dbraw/zinc/32/49/30/181324930.db2.gz LNZGTJVJOWDRMX-UHFFFAOYSA-N -1 0 323.300 1.580 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000095949209 304102758 /nfs/dbraw/zinc/10/27/58/304102758.db2.gz HKTMFIAIBGXSON-OLZOCXBDSA-N -1 0 308.378 1.101 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000095949211 304102999 /nfs/dbraw/zinc/10/29/99/304102999.db2.gz HKTMFIAIBGXSON-STQMWFEESA-N -1 0 308.378 1.101 50 0 DDAARM C[C@@H](NC(=O)CCCCSc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000006694120 296044483 /nfs/dbraw/zinc/04/44/83/296044483.db2.gz CYTRUWBIXUFCQC-MRVPVSSYSA-N -1 0 323.378 1.205 50 0 DDAARM CCc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)[nH]1 ZINC000006577931 181356159 /nfs/dbraw/zinc/35/61/59/181356159.db2.gz DLZLHFSLTMPSJP-UHFFFAOYSA-N -1 0 306.347 1.796 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224779993 304135139 /nfs/dbraw/zinc/13/51/39/304135139.db2.gz XOTCRUZEDJIZKL-AEJSXWLSSA-N -1 0 309.284 1.667 50 0 DDAARM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262149389 203211177 /nfs/dbraw/zinc/21/11/77/203211177.db2.gz OILIGJYOAYSEBV-NXEZZACHSA-N -1 0 315.322 1.030 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262138054 203208526 /nfs/dbraw/zinc/20/85/26/203208526.db2.gz KPISSRXZHJIWQW-HNNXBMFYSA-N -1 0 300.318 1.204 50 0 DDAARM CC[C@H](OC)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262203431 203228662 /nfs/dbraw/zinc/22/86/62/203228662.db2.gz SLGYWOWOHODXNH-KGLIPLIRSA-N -1 0 304.346 1.705 50 0 DDAARM COc1ccc2c(C)nc(Nc3nc([O-])c(C)c(=O)[nH]3)nc2c1 ZINC000018127290 182094008 /nfs/dbraw/zinc/09/40/08/182094008.db2.gz NYRHBKQYUOPXRY-UHFFFAOYSA-N -1 0 313.317 1.788 50 0 DDAARM Cc1[nH]nc(C2CC2)c1-c1nc([C@@H]2CCOC2)nn1CC(=O)[O-] ZINC000097522441 193730304 /nfs/dbraw/zinc/73/03/04/193730304.db2.gz GRYMSQVJEXNFGF-SNVBAGLBSA-N -1 0 317.349 1.443 50 0 DDAARM COc1ccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020319224 182206391 /nfs/dbraw/zinc/20/63/91/182206391.db2.gz AARGVCIXZMJVHH-VIFPVBQESA-N -1 0 303.318 1.618 50 0 DDAARM O=C([O-])C1CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000020200919 182196771 /nfs/dbraw/zinc/19/67/71/182196771.db2.gz NYEDKMDIAZXUII-LBPRGKRZSA-N -1 0 308.378 1.101 50 0 DDAARM COc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)c(OC)c1 ZINC000020614625 182239224 /nfs/dbraw/zinc/23/92/24/182239224.db2.gz MPIPOBSEOYSMQJ-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM O=C(CN1C(=O)NC2(CCCC2)C1=O)[N-]OCc1ccccc1 ZINC000025036247 182399498 /nfs/dbraw/zinc/39/94/98/182399498.db2.gz LXFZWHFGYQIOAW-UHFFFAOYSA-N -1 0 317.345 1.099 50 0 DDAARM CCn1ncc(CN(C)C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C ZINC000036624033 182830392 /nfs/dbraw/zinc/83/03/92/182830392.db2.gz NPTZEOQWGAHHSZ-ZIAGYGMSSA-N -1 0 305.378 1.837 50 0 DDAARM CCOc1c(OC)cccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675155 193834346 /nfs/dbraw/zinc/83/43/46/193834346.db2.gz KKJANBPEEYXEMY-JTQLQIEISA-N -1 0 317.305 1.064 50 0 DDAARM O=C([O-])CCNC(=O)NCc1cccc(Br)c1 ZINC000042435486 183270050 /nfs/dbraw/zinc/27/00/50/183270050.db2.gz WGQZMFPAELOKKG-UHFFFAOYSA-N -1 0 301.140 1.723 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)CCO1 ZINC000043702596 183381860 /nfs/dbraw/zinc/38/18/60/183381860.db2.gz OKPQWRZDQSHPGT-MRVPVSSYSA-N -1 0 304.224 1.026 50 0 DDAARM Cc1c[nH]c(CN(C)C(=O)c2ccccc2NCC(=O)[O-])n1 ZINC000055042141 183958871 /nfs/dbraw/zinc/95/88/71/183958871.db2.gz NJDXKBQPXICXDJ-UHFFFAOYSA-N -1 0 302.334 1.487 50 0 DDAARM COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268915611 207082347 /nfs/dbraw/zinc/08/23/47/207082347.db2.gz POHNSZQKJXUCNI-RYUDHWBXSA-N -1 0 321.329 1.111 50 0 DDAARM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268950081 207113423 /nfs/dbraw/zinc/11/34/23/207113423.db2.gz PMAANSBIRHCEBV-PXORTJSASA-N -1 0 309.387 1.664 50 0 DDAARM COc1cc(C)c(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000062132562 184207635 /nfs/dbraw/zinc/20/76/35/184207635.db2.gz GRKJKJSSNNBRPS-NSHDSACASA-N -1 0 313.375 1.407 50 0 DDAARM Cc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062132502 184207656 /nfs/dbraw/zinc/20/76/56/184207656.db2.gz ADMPTYPRPUQBRM-SECBINFHSA-N -1 0 303.767 1.744 50 0 DDAARM CCC(=O)Nc1cc(N2C[C@H](C(=O)[O-])CC2=O)ccc1OC ZINC000065395347 184334988 /nfs/dbraw/zinc/33/49/88/184334988.db2.gz CZGOJEIAXPYJDR-SECBINFHSA-N -1 0 306.318 1.481 50 0 DDAARM COc1ccc(NC(=O)C(C)C)c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000065375352 184331609 /nfs/dbraw/zinc/33/16/09/184331609.db2.gz BFGDHWAJRWCJFT-JTQLQIEISA-N -1 0 320.345 1.727 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2csc(-c3cccnc3)n2)C1 ZINC000065407735 184339545 /nfs/dbraw/zinc/33/95/45/184339545.db2.gz LVKLVKSGGFSICA-LLVKDONJSA-N -1 0 317.370 1.681 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n(C)n1 ZINC000066247783 184398560 /nfs/dbraw/zinc/39/85/60/184398560.db2.gz FBNSWLYGQPPNCU-UHFFFAOYSA-N -1 0 320.374 1.414 50 0 DDAARM CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1(C)C ZINC000152293922 196801928 /nfs/dbraw/zinc/80/19/28/196801928.db2.gz DSVMKEVGKJRIHJ-ZYHUDNBSSA-N -1 0 309.391 1.520 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCOc1ccccc1F ZINC000268982726 257256547 /nfs/dbraw/zinc/25/65/47/257256547.db2.gz OFQVPSXDUOVXDR-GFCCVEGCSA-N -1 0 311.309 1.297 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1F ZINC000328589229 533230590 /nfs/dbraw/zinc/23/05/90/533230590.db2.gz IZIZNIFDHSHCGH-OGOUPESXSA-N -1 0 309.293 1.160 50 0 DDAARM O=C([O-])c1csc(CNC(=O)CSC(F)(F)F)n1 ZINC000124130218 304282321 /nfs/dbraw/zinc/28/23/21/304282321.db2.gz VBUKFYYIGIJXFG-UHFFFAOYSA-N -1 0 300.283 1.711 50 0 DDAARM O=C([O-])c1cn([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 ZINC000568398395 304291640 /nfs/dbraw/zinc/29/16/40/304291640.db2.gz XAAROMJOGXAYNQ-VXGBXAGGSA-N -1 0 304.350 1.496 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cccc(C)n2)(C(=O)[O-])C1(C)C ZINC000262762360 286309694 /nfs/dbraw/zinc/30/96/94/286309694.db2.gz FWTJBCANRUOJGB-MLGOLLRUSA-N -1 0 306.362 1.778 50 0 DDAARM O=C([O-])c1ccccc1-c1ccc(C=C2NC(=S)NC2=O)o1 ZINC000000136562 406623583 /nfs/dbraw/zinc/62/35/83/406623583.db2.gz XJKQNHGIXHLJEG-YRNVUSSQSA-N -1 0 314.322 1.990 50 0 DDAARM O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)NCc1ccco1 ZINC000000202827 406630310 /nfs/dbraw/zinc/63/03/10/406630310.db2.gz WEDUZIRGFOOZAO-CYBMUJFWSA-N -1 0 304.302 1.557 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000000205255 406631311 /nfs/dbraw/zinc/63/13/11/406631311.db2.gz FFFNGXGWKIDRLJ-ZIAGYGMSSA-N -1 0 315.373 1.397 50 0 DDAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl ZINC000000528186 406654056 /nfs/dbraw/zinc/65/40/56/406654056.db2.gz BGAHOJRKSTVJEO-UHFFFAOYSA-N -1 0 319.766 1.588 50 0 DDAARM Nc1cccc(C(=O)Nc2cc(=O)n(CC(F)(F)F)[n-]2)c1 ZINC000002163816 406684590 /nfs/dbraw/zinc/68/45/90/406684590.db2.gz BEUWHMJHTSZZTD-UHFFFAOYSA-N -1 0 300.240 1.107 50 0 DDAARM S=c1[n-]nnn1-c1ccc(I)cc1 ZINC000006557435 406740396 /nfs/dbraw/zinc/74/03/96/406740396.db2.gz ZRBDTLQXHIMPCD-UHFFFAOYSA-N -1 0 304.116 1.556 50 0 DDAARM Cc1n[n-]c(SCC(=O)N(CC(C)C)CC(C)C)nc1=O ZINC000007738625 406767491 /nfs/dbraw/zinc/76/74/91/406767491.db2.gz WYYIOJLNGVAYMX-UHFFFAOYSA-N -1 0 312.439 1.706 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(C)C)cc1 ZINC000003025639 406712042 /nfs/dbraw/zinc/71/20/42/406712042.db2.gz LDSGUXFBFHMUGL-GFCCVEGCSA-N -1 0 301.364 1.473 50 0 DDAARM O=C(CSc1nncc(=O)[n-]1)NCc1ccc(Cl)cc1 ZINC000011905432 406832651 /nfs/dbraw/zinc/83/26/51/406832651.db2.gz ONZYUORJSUSSEU-UHFFFAOYSA-N -1 0 310.766 1.227 50 0 DDAARM O=C([O-])c1ccc(CCNS(=O)(=O)c2ccccc2)cc1 ZINC000013313966 406861706 /nfs/dbraw/zinc/86/17/06/406861706.db2.gz VGZACKZNXXITSD-UHFFFAOYSA-N -1 0 305.355 1.906 50 0 DDAARM CCn1[n-]c(C(=O)NCCCOc2ccc(F)cc2)cc1=O ZINC000071911666 406866921 /nfs/dbraw/zinc/86/69/21/406866921.db2.gz VZGHYBPRMWQVHL-UHFFFAOYSA-N -1 0 307.325 1.319 50 0 DDAARM O=C([O-])/C=C/C(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000018190987 406884418 /nfs/dbraw/zinc/88/44/18/406884418.db2.gz MDNCHNIZLGPSDS-AATRIKPKSA-N -1 0 317.370 1.586 50 0 DDAARM Cc1cc(C)cc(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)c1 ZINC000022584989 406890456 /nfs/dbraw/zinc/89/04/56/406890456.db2.gz WXCHZRLQFWEJPT-OAHLLOKOSA-N -1 0 319.405 1.333 50 0 DDAARM O=C(COCC(=O)Nc1ccccc1O)Nc1ccccc1O ZINC000022590054 406891016 /nfs/dbraw/zinc/89/10/16/406891016.db2.gz BZMWXBNZWPFPPB-UHFFFAOYSA-N -1 0 316.313 1.692 50 0 DDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC)cc2)n[nH]1 ZINC000012414690 406843687 /nfs/dbraw/zinc/84/36/87/406843687.db2.gz XEADGSCSEACYBM-UHFFFAOYSA-N -1 0 323.374 1.950 50 0 DDAARM C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccco1)C(=O)[O-] ZINC000012381018 406844520 /nfs/dbraw/zinc/84/45/20/406844520.db2.gz YKCHBOMSVGFEOO-OHMLCJAVSA-N -1 0 318.285 1.233 50 0 DDAARM COc1c2c(cc(C[C@H]3CC(C(=O)[O-])=NO3)c1OC)OCO2 ZINC000012418025 406845453 /nfs/dbraw/zinc/84/54/53/406845453.db2.gz LVKLYCODANKYAS-QMMMGPOBSA-N -1 0 309.274 1.205 50 0 DDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nnc(C)s2)c1 ZINC000028047654 406915288 /nfs/dbraw/zinc/91/52/88/406915288.db2.gz UHOZRAINBRZJNZ-UHFFFAOYSA-N -1 0 315.376 1.665 50 0 DDAARM CCCc1ccc(N2CCN(C(=O)/C=C\C(=O)[O-])CC2)cc1 ZINC000033294735 406961030 /nfs/dbraw/zinc/96/10/30/406961030.db2.gz UEICVATXNFVINJ-HJWRWDBZSA-N -1 0 302.374 1.929 50 0 DDAARM Cc1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000078601472 407035261 /nfs/dbraw/zinc/03/52/61/407035261.db2.gz RXHHMYDUFBTFKR-UHFFFAOYSA-N -1 0 314.754 1.271 50 0 DDAARM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000048991479 407112783 /nfs/dbraw/zinc/11/27/83/407112783.db2.gz KIRODYFHLSWSKQ-UHFFFAOYSA-N -1 0 321.358 1.486 50 0 DDAARM CC(C)(C)OC(=O)NCCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000084240648 407085718 /nfs/dbraw/zinc/08/57/18/407085718.db2.gz GAGFTBKFTJTJFR-UHFFFAOYSA-N -1 0 314.382 1.805 50 0 DDAARM CC(C)C(=O)N1CCC[C@@H](C(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000089775660 407147758 /nfs/dbraw/zinc/14/77/58/407147758.db2.gz JVJWPLRZVJDCAT-CYBMUJFWSA-N -1 0 324.421 1.785 50 0 DDAARM O=C([O-])CN(C[C@H]1CCCO1)C(=O)[C@H]1CCOc2ccccc21 ZINC000089857782 407154435 /nfs/dbraw/zinc/15/44/35/407154435.db2.gz AYKDYHSSFCXTKI-OCCSQVGLSA-N -1 0 319.357 1.645 50 0 DDAARM CCCCNC(=O)CN(C)[C@@H](C(=O)[O-])c1cc(C)ccc1OC ZINC000055343667 407201713 /nfs/dbraw/zinc/20/17/13/407201713.db2.gz MJCDTIQSIVRONY-MRXNPFEDSA-N -1 0 322.405 1.977 50 0 DDAARM CCCCc1ccnc([N-]S(=O)(=O)c2cnn(CC)c2)n1 ZINC000095939346 407215454 /nfs/dbraw/zinc/21/54/54/407215454.db2.gz WCWUYIOZTFYEJH-UHFFFAOYSA-N -1 0 309.395 1.836 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCCC1 ZINC000095948857 407215808 /nfs/dbraw/zinc/21/58/08/407215808.db2.gz MLOHTMLMBOTSDF-LLVKDONJSA-N -1 0 320.320 1.765 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@H](C)C(=O)[O-] ZINC000095970580 407218766 /nfs/dbraw/zinc/21/87/66/407218766.db2.gz BZFAONJZCPFDSH-NSHDSACASA-N -1 0 315.373 1.869 50 0 DDAARM O=C([O-])CNC(=O)c1ccccc1NC(=O)c1ccccc1O ZINC000059590295 407224635 /nfs/dbraw/zinc/22/46/35/407224635.db2.gz IZCZSCAZHVTSAD-UHFFFAOYSA-N -1 0 314.297 1.459 50 0 DDAARM CC(C)c1ccc(NC(=O)CCc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000096118551 407238522 /nfs/dbraw/zinc/23/85/22/407238522.db2.gz CUEBIOFRUVJOKL-UHFFFAOYSA-N -1 0 302.334 1.153 50 0 DDAARM O=C([O-])c1cn(C[C@H]2CCCN(C(=O)C3=CCCC3)C2)nn1 ZINC000067560399 407276546 /nfs/dbraw/zinc/27/65/46/407276546.db2.gz MPFCLFBFQSAZBV-NSHDSACASA-N -1 0 304.350 1.325 50 0 DDAARM CCc1nc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)no1 ZINC000097047045 407277195 /nfs/dbraw/zinc/27/71/95/407277195.db2.gz ODJLMSQCYYSNCH-UHFFFAOYSA-N -1 0 307.253 1.850 50 0 DDAARM Cn1c2ccccc2c([O-])c(C(=O)NCc2cccnc2)c1=O ZINC000100700563 407308222 /nfs/dbraw/zinc/30/82/22/407308222.db2.gz AINDEUQZHXXDJV-UHFFFAOYSA-N -1 0 309.325 1.569 50 0 DDAARM C[C@@H](C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1)n1cccn1 ZINC000111240108 407402416 /nfs/dbraw/zinc/40/24/16/407402416.db2.gz VMBWJYDTQURSRV-KWQFWETISA-N -1 0 305.256 1.310 50 0 DDAARM CCCCNC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000254397809 407464064 /nfs/dbraw/zinc/46/40/64/407464064.db2.gz IGLKGBBBQJANPL-UHFFFAOYSA-N -1 0 309.391 1.748 50 0 DDAARM CNC(=O)[C@H]1CCCCN1Cc1ccccc1OCC(=O)[O-] ZINC000216388012 407494967 /nfs/dbraw/zinc/49/49/67/407494967.db2.gz GDIBBGCYVVJSAA-CYBMUJFWSA-N -1 0 306.362 1.251 50 0 DDAARM CCC[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCN1C(=O)C1CCCC1 ZINC000170592172 407445023 /nfs/dbraw/zinc/44/50/23/407445023.db2.gz BXUAJSHFIDIJLH-ZIAGYGMSSA-N -1 0 324.421 1.927 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(CCc2n[n-]c(=S)o2)CC1 ZINC000225389944 407582005 /nfs/dbraw/zinc/58/20/05/407582005.db2.gz CRWJAMUFYFQBDD-UHFFFAOYSA-N -1 0 314.411 1.454 50 0 DDAARM O=C([O-])C1(NC(=O)Cc2c[nH]c3ccccc23)CCOCC1 ZINC000218377749 407517787 /nfs/dbraw/zinc/51/77/87/407517787.db2.gz BITIOFKOSUAOJP-UHFFFAOYSA-N -1 0 302.330 1.460 50 0 DDAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000220611479 407543227 /nfs/dbraw/zinc/54/32/27/407543227.db2.gz QGTMBVHPPNVEGJ-SECBINFHSA-N -1 0 300.742 1.648 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000236689157 407751940 /nfs/dbraw/zinc/75/19/40/407751940.db2.gz ORFFNGJQHQMHNQ-YOEHRIQHSA-N -1 0 318.373 1.577 50 0 DDAARM O=C([O-])[C@H]1CC12CCN(C(=O)CN1CCCCCCC1=O)CC2 ZINC000262426491 407831878 /nfs/dbraw/zinc/83/18/78/407831878.db2.gz LSYYLVWAOVLLPJ-CYBMUJFWSA-N -1 0 322.405 1.492 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(CN3CCCC3=O)c2)C1 ZINC000238100997 407890227 /nfs/dbraw/zinc/89/02/27/407890227.db2.gz IYUSGHVGIHSGQE-AWEZNQCLSA-N -1 0 316.357 1.356 50 0 DDAARM Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])nn1C ZINC000262843519 407953654 /nfs/dbraw/zinc/95/36/54/407953654.db2.gz CLWAYVHKLCAXNO-GFCCVEGCSA-N -1 0 301.346 1.844 50 0 DDAARM CCOc1ccc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000262914768 407968527 /nfs/dbraw/zinc/96/85/27/407968527.db2.gz DDCSRZQYDMAIMS-CQSZACIVSA-N -1 0 307.346 1.330 50 0 DDAARM CC[C@@H](C(=O)[O-])N(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000242581742 407915121 /nfs/dbraw/zinc/91/51/21/407915121.db2.gz ODSDKZAEVRVUOU-VIFPVBQESA-N -1 0 321.782 1.978 50 0 DDAARM Cc1ccc(C(=O)N2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)s1 ZINC000191575727 408446165 /nfs/dbraw/zinc/44/61/65/408446165.db2.gz KKHSXRTYBCBPQR-UHFFFAOYSA-N -1 0 322.386 1.206 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cn(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193026978 408684309 /nfs/dbraw/zinc/68/43/09/408684309.db2.gz STWZGKVVWPEJCL-ABAIWWIYSA-N -1 0 309.366 1.117 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000178269343 408796426 /nfs/dbraw/zinc/79/64/26/408796426.db2.gz OSQAKVUNMAZJQJ-QMMMGPOBSA-N -1 0 318.251 1.569 50 0 DDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cnn3ccccc23)C1 ZINC000263088017 163913247 /nfs/dbraw/zinc/91/32/47/163913247.db2.gz QHAJYRPFMNZBEQ-GHMZBOCLSA-N -1 0 303.318 1.039 50 0 DDAARM Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)sc1C ZINC000263118875 163918038 /nfs/dbraw/zinc/91/80/38/163918038.db2.gz LTEAICFEXOKKQM-PSASIEDQSA-N -1 0 303.405 1.706 50 0 DDAARM COc1ccc(C[C@@]2(CCC(=O)[O-])CCC(=O)N2)cc1OC ZINC000299772070 410617357 /nfs/dbraw/zinc/61/73/57/410617357.db2.gz XMCISLDUJWIGTD-INIZCTEOSA-N -1 0 307.346 1.760 50 0 DDAARM COCCOc1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000269050829 292604249 /nfs/dbraw/zinc/60/42/49/292604249.db2.gz VCYLLYLXMCFBMJ-AWEZNQCLSA-N -1 0 323.345 1.028 50 0 DDAARM O=C(Nc1nnc2ccccn21)c1ccc2[n-]c(=S)oc2c1 ZINC000072986426 418489216 /nfs/dbraw/zinc/48/92/16/418489216.db2.gz OEJLZXNVJBSXLX-UHFFFAOYSA-N -1 0 311.326 2.412 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(N(C)C)cn2)c1C ZINC000076068584 418491779 /nfs/dbraw/zinc/49/17/79/418491779.db2.gz TZKBZHNHSVHOFI-UHFFFAOYSA-N -1 0 323.422 1.782 50 0 DDAARM C[C@H]1CC[C@H](CCC(=O)N(CCC(=O)[O-])C2CCOCC2)O1 ZINC000408513277 418806405 /nfs/dbraw/zinc/80/64/05/418806405.db2.gz KRGJNHUAAIHFMO-GXTWGEPZSA-N -1 0 313.394 1.816 50 0 DDAARM Cc1ccc(OCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000372158279 418840533 /nfs/dbraw/zinc/84/05/33/418840533.db2.gz WQCMTZCXJWDLDC-GFCCVEGCSA-N -1 0 301.350 1.293 50 0 DDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1cnn(C)c1C ZINC000426667503 419526642 /nfs/dbraw/zinc/52/66/42/419526642.db2.gz OONGVKLAMIMMFI-ZDUSSCGKSA-N -1 0 310.398 1.903 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000521364104 421784242 /nfs/dbraw/zinc/78/42/42/421784242.db2.gz CLXYMJSBBYBIFT-LBPRGKRZSA-N -1 0 323.345 1.085 50 0 DDAARM CCc1nc(=NCc2cccc(Cn3cncn3)c2)s[n-]1 ZINC000583650490 422209312 /nfs/dbraw/zinc/20/93/12/422209312.db2.gz GWESNLDYBPFTFB-UHFFFAOYSA-N -1 0 300.391 1.774 50 0 DDAARM O=C(COC[C@H]1CCCO1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000584906710 422303805 /nfs/dbraw/zinc/30/38/05/422303805.db2.gz QVSJRZGBDJOZFH-GFCCVEGCSA-N -1 0 319.317 1.164 50 0 DDAARM CC[C@H]1C(=O)NCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000606442177 422459616 /nfs/dbraw/zinc/45/96/16/422459616.db2.gz XBBWMZFOSYJVGA-UJZCVKTISA-N -1 0 302.330 1.135 50 0 DDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)Cc1cc(C)ccc1C ZINC000643848485 423378333 /nfs/dbraw/zinc/37/83/33/423378333.db2.gz FOSDWSDXSLKVEN-KRWDZBQOSA-N -1 0 305.374 1.938 50 0 DDAARM COc1cc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ncn1 ZINC000653541097 423519262 /nfs/dbraw/zinc/51/92/62/423519262.db2.gz DIALWOAVFHKKHV-KXUCPTDWSA-N -1 0 322.365 1.742 50 0 DDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cnc2n[nH]c(C)c2c1 ZINC000342448418 271419634 /nfs/dbraw/zinc/41/96/34/271419634.db2.gz MZJFRDIZQPLRPF-UHFFFAOYSA-N -1 0 306.351 1.109 50 0 DDAARM CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000237224997 289586345 /nfs/dbraw/zinc/58/63/45/289586345.db2.gz FENFKVXKLRNXDP-LBPRGKRZSA-N -1 0 310.394 1.491 50 0 DDAARM CN1C(=O)COc2cc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)ccc21 ZINC000071287295 289816365 /nfs/dbraw/zinc/81/63/65/289816365.db2.gz PJWXYJYIJOWZLJ-OLZOCXBDSA-N -1 0 318.329 1.337 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000263544245 298200734 /nfs/dbraw/zinc/20/07/34/298200734.db2.gz FWVFEKGIMRLCQL-QWRKXWFKSA-N -1 0 324.764 1.449 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])C2=O)cc1C ZINC000237579434 301629005 /nfs/dbraw/zinc/62/90/05/301629005.db2.gz MWKZKMZSGXOQCG-JSGCOSHPSA-N -1 0 318.373 1.493 50 0 DDAARM Cc1nccn1CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000244692001 302714619 /nfs/dbraw/zinc/71/46/19/302714619.db2.gz JMSWULAQQDQJFZ-HNNXBMFYSA-N -1 0 313.357 1.620 50 0 DDAARM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccncc1Br ZINC000395834790 483991664 /nfs/dbraw/zinc/99/16/64/483991664.db2.gz JOINXKZVLWALQK-SECBINFHSA-N -1 0 301.140 1.779 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000262061016 484261391 /nfs/dbraw/zinc/26/13/91/484261391.db2.gz HDWOJZSCEQGVPD-CWSCBRNRSA-N -1 0 311.284 1.380 50 0 DDAARM C[C@@H]1CN(C(=O)c2cnn3cccc(Cl)c23)C[C@H](C(=O)[O-])O1 ZINC000659163557 484664484 /nfs/dbraw/zinc/66/44/84/484664484.db2.gz ULVHOGFAUKHXMP-LDYMZIIASA-N -1 0 323.736 1.302 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CCO1 ZINC000299752523 534503775 /nfs/dbraw/zinc/50/37/75/534503775.db2.gz ULMPHDCORAPOLN-QWHCGFSZSA-N -1 0 319.357 1.645 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)NC1(C(=O)[O-])CCC1 ZINC000299746562 534859028 /nfs/dbraw/zinc/85/90/28/534859028.db2.gz YDPDKBRKSVPACA-UHFFFAOYSA-N -1 0 307.394 1.822 50 0 DDAARM CCN(c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cn1)C(C)C ZINC000299741227 528928850 /nfs/dbraw/zinc/92/88/50/528928850.db2.gz DXQXZZPBSQICGT-ZDUSSCGKSA-N -1 0 305.378 1.863 50 0 DDAARM O=S(=O)([N-]c1cnn(C[C@H]2CCCCO2)c1)c1cccnc1 ZINC000390826930 563930736 /nfs/dbraw/zinc/93/07/36/563930736.db2.gz CRUWADLKNUTNRN-CYBMUJFWSA-N -1 0 322.390 1.648 50 0 DDAARM O=C([O-])[C@@H](NCc1nnc2n1CCCCC2)c1ccccc1 ZINC000821540453 598199310 /nfs/dbraw/zinc/19/93/10/598199310.db2.gz UEEYUVAETGKTRR-HNNXBMFYSA-N -1 0 300.362 1.920 50 0 DDAARM COc1ccc(F)cc1C(=O)N[C@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067757216 696364071 /nfs/dbraw/zinc/36/40/71/696364071.db2.gz UVRLULZFDHRJPP-ZDUSSCGKSA-N -1 0 321.308 1.730 50 0 DDAARM Cc1nn(C)c2nc(C)cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)c12 ZINC000263289770 698498917 /nfs/dbraw/zinc/49/89/17/698498917.db2.gz LWMAEGLQTFEGLH-AOOOYVTPSA-N -1 0 302.334 1.178 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])cc1F ZINC000388154785 699084062 /nfs/dbraw/zinc/08/40/62/699084062.db2.gz IZIZNIFDHSHCGH-FHMRSRPSSA-N -1 0 309.293 1.160 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nc(OC)nc2C)cc1 ZINC000585436186 773683072 /nfs/dbraw/zinc/68/30/72/773683072.db2.gz XKDUTTWSTRMIRG-UHFFFAOYSA-N -1 0 323.374 1.911 50 0 DDAARM C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCCC(=O)[O-])CC1=O ZINC000096595485 185384380 /nfs/dbraw/zinc/38/43/80/185384380.db2.gz YFGUMSXYIFLHBH-OCCSQVGLSA-N -1 0 318.373 1.577 50 0 DDAARM C[C@](NC(=O)[C@H]1CCn2ccnc2C1)(C(=O)[O-])c1ccccc1 ZINC000623177907 365700161 /nfs/dbraw/zinc/70/01/61/365700161.db2.gz VGVVTKDWPOOMPK-YVEFUNNKSA-N -1 0 313.357 1.562 50 0 DDAARM COC1(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCC1 ZINC000234585591 201906437 /nfs/dbraw/zinc/90/64/37/201906437.db2.gz AXJWQHPNPPTCDG-LBPRGKRZSA-N -1 0 309.284 1.811 50 0 DDAARM CCC[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000000034474 180673176 /nfs/dbraw/zinc/67/31/76/180673176.db2.gz OZMXKPWCQWVTMR-MRVPVSSYSA-N -1 0 315.376 1.223 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000072432572 191164766 /nfs/dbraw/zinc/16/47/66/191164766.db2.gz DKRYDPPSIRJLQF-ZDUSSCGKSA-N -1 0 303.362 1.642 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccn1 ZINC000000814653 180834650 /nfs/dbraw/zinc/83/46/50/180834650.db2.gz VTPRAEHGOQFMGD-UHFFFAOYSA-N -1 0 322.342 1.267 50 0 DDAARM C[C@@H]1CN(c2ccccc2NC(=O)c2n[nH]c(=O)[n-]2)C[C@@H](C)O1 ZINC000080399689 353606051 /nfs/dbraw/zinc/60/60/51/353606051.db2.gz ZKUJPKADMQWWFI-NXEZZACHSA-N -1 0 317.349 1.376 50 0 DDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O ZINC000003399144 181015169 /nfs/dbraw/zinc/01/51/69/181015169.db2.gz FRXVSOQFDPMKKM-JTQLQIEISA-N -1 0 320.370 1.651 50 0 DDAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)Cc1ccoc1 ZINC000195580299 354298723 /nfs/dbraw/zinc/29/87/23/354298723.db2.gz JWGRDRFCHORXGM-UHFFFAOYSA-N -1 0 308.359 1.710 50 0 DDAARM COc1c(C=C2SC(=O)NC2=O)cccc1O[C@H](C)C(=O)[O-] ZINC000005060158 181198639 /nfs/dbraw/zinc/19/86/39/181198639.db2.gz ZPSQDRVCTBUSIQ-VSUWBIFXSA-N -1 0 323.326 1.871 50 0 DDAARM CC(C)CC1C(=O)N=C(SCC(=O)NC(C)(C)C)N=C1[O-] ZINC000005129512 181207208 /nfs/dbraw/zinc/20/72/08/181207208.db2.gz SSDJUMZVHPYYOK-UHFFFAOYSA-N -1 0 313.423 1.681 50 0 DDAARM O=C([O-])CN(C(=O)c1cc(N2CCCC2=O)ccc1F)C1CC1 ZINC000238085875 304065758 /nfs/dbraw/zinc/06/57/58/304065758.db2.gz DOUBPFMCLXEWRL-UHFFFAOYSA-N -1 0 320.320 1.642 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)nn2C)cc1 ZINC000089591700 192822665 /nfs/dbraw/zinc/82/26/65/192822665.db2.gz KFRHTZSLNGXDLP-CYBMUJFWSA-N -1 0 317.345 1.683 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000237657240 202319897 /nfs/dbraw/zinc/31/98/97/202319897.db2.gz ZZNCGPXKCPQNHU-QGZVFWFLSA-N -1 0 313.357 1.868 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cs2)cn1 ZINC000237715876 202337215 /nfs/dbraw/zinc/33/72/15/202337215.db2.gz WKGAEFFREAXICK-MRVPVSSYSA-N -1 0 306.347 1.090 50 0 DDAARM Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237752319 202346688 /nfs/dbraw/zinc/34/66/88/202346688.db2.gz KSIJLWSHJXFRLG-LBPRGKRZSA-N -1 0 303.314 1.975 50 0 DDAARM Cn1nnc2cc(C(=O)N3CCC[C@@H](CCC(=O)[O-])C3)ccc21 ZINC000237829899 202364742 /nfs/dbraw/zinc/36/47/42/202364742.db2.gz ODCVTINEOKZPFP-NSHDSACASA-N -1 0 316.361 1.685 50 0 DDAARM Cc1ncc(C(=O)NCc2nc(C(=O)[O-])cs2)c(C(C)C)n1 ZINC000192886734 200956872 /nfs/dbraw/zinc/95/68/72/200956872.db2.gz GDYMGMDSGCNVPE-UHFFFAOYSA-N -1 0 320.374 1.993 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(S(=O)(=O)C2CC2)C1 ZINC000091664094 193086699 /nfs/dbraw/zinc/08/66/99/193086699.db2.gz GFPDZAXOPZESAV-CYBMUJFWSA-N -1 0 305.396 1.072 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C1CC1 ZINC000091713319 193096082 /nfs/dbraw/zinc/09/60/82/193096082.db2.gz YYCMZHOTLWXUFF-NWDGAFQWSA-N -1 0 311.769 1.496 50 0 DDAARM Cc1nn(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1Cl ZINC000092078207 193153949 /nfs/dbraw/zinc/15/39/49/193153949.db2.gz MQLVXBUDWHRRLE-WDEREUQCSA-N -1 0 311.769 1.414 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc(F)cc1Cl ZINC000088373513 304134671 /nfs/dbraw/zinc/13/46/71/304134671.db2.gz WGLPRZRNTCXWMN-JTQLQIEISA-N -1 0 317.700 1.170 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc(-c2ccco2)n1 ZINC000088375907 304136184 /nfs/dbraw/zinc/13/61/84/304136184.db2.gz QGFMJIXEZQOXBH-VIFPVBQESA-N -1 0 308.315 1.329 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000005428610 304139870 /nfs/dbraw/zinc/13/98/70/304139870.db2.gz ASKYUNKQJIMTOK-VHSXEESVSA-N -1 0 303.236 1.922 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000261611777 203080726 /nfs/dbraw/zinc/08/07/26/203080726.db2.gz DYJTXFJRQPAKNR-LLVKDONJSA-N -1 0 300.318 1.204 50 0 DDAARM COc1cc(C(=O)[O-])ccc1NC(=O)CCc1cnn(C)c1 ZINC000263058549 203433613 /nfs/dbraw/zinc/43/36/13/203433613.db2.gz XCFIQXLFRRBMRI-UHFFFAOYSA-N -1 0 303.318 1.698 50 0 DDAARM Cc1cccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C)C3=O)c1 ZINC000096102033 193537859 /nfs/dbraw/zinc/53/78/59/193537859.db2.gz MELSDUVKXBRRCM-UHFFFAOYSA-N -1 0 319.386 1.683 50 0 DDAARM CCc1cc2c(ncn([N-]C(=O)c3cnccn3)c2=O)s1 ZINC000008344632 181550670 /nfs/dbraw/zinc/55/06/70/181550670.db2.gz WRBRBOTZVJZVJT-UHFFFAOYSA-N -1 0 301.331 1.194 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000096345498 304174822 /nfs/dbraw/zinc/17/48/22/304174822.db2.gz AITKSAIKAXTKSG-LURJTMIESA-N -1 0 324.134 1.763 50 0 DDAARM Cc1cc(COC(=O)c2ccccc2[N-]S(C)(=O)=O)no1 ZINC000018263480 182100960 /nfs/dbraw/zinc/10/09/60/182100960.db2.gz LRDZMQQKUKHKOG-UHFFFAOYSA-N -1 0 310.331 1.712 50 0 DDAARM CC(C)(C)OC(=O)N1CCC(Cn2cc(C(=O)[O-])nn2)CC1 ZINC000019737096 182140581 /nfs/dbraw/zinc/14/05/81/182140581.db2.gz WMPRTQFVSNQREI-UHFFFAOYSA-N -1 0 310.354 1.623 50 0 DDAARM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000021808972 182291907 /nfs/dbraw/zinc/29/19/07/182291907.db2.gz JDLCGBGRRYRBBS-VIFPVBQESA-N -1 0 306.343 1.853 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)N1CCSc2ccccc21 ZINC000035302859 304187474 /nfs/dbraw/zinc/18/74/74/304187474.db2.gz MMLOHUIXTPXXQQ-GFCCVEGCSA-N -1 0 306.387 1.674 50 0 DDAARM Nc1c(C(=O)NCc2ccc3c(c2)OCO3)nsc1C(=O)[O-] ZINC000033268114 182698338 /nfs/dbraw/zinc/69/83/38/182698338.db2.gz UYLKCDSJZUNVDR-UHFFFAOYSA-N -1 0 321.314 1.082 50 0 DDAARM Nc1c(C(=O)[O-])nnn1-c1ccc(NC(=O)c2ccccc2)cc1 ZINC000033435966 182710792 /nfs/dbraw/zinc/71/07/92/182710792.db2.gz KIWGDPFNJJQLAH-UHFFFAOYSA-N -1 0 323.312 1.800 50 0 DDAARM COc1ccc(-c2ccc(S(=O)(=O)NCC(=O)[O-])cc2)cc1 ZINC000036293926 182812897 /nfs/dbraw/zinc/81/28/97/182812897.db2.gz ABJHIYYOLIFZLZ-UHFFFAOYSA-N -1 0 321.354 1.725 50 0 DDAARM CC(=O)c1cn(CCC(=O)NCCC(=O)[O-])c2ccccc12 ZINC000040309302 183053493 /nfs/dbraw/zinc/05/34/93/183053493.db2.gz PYVRKCMPZKODIM-UHFFFAOYSA-N -1 0 302.330 1.825 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)OCCO3)CCSC1 ZINC000043508698 183367912 /nfs/dbraw/zinc/36/79/12/183367912.db2.gz DOEDIBJJXFAFTQ-AWEZNQCLSA-N -1 0 309.343 1.148 50 0 DDAARM O=C([O-])[C@]1(NC(=O)COc2ccccc2Cl)CCSC1 ZINC000043510911 183368716 /nfs/dbraw/zinc/36/87/16/183368716.db2.gz SDWCMSGKYPJBSI-ZDUSSCGKSA-N -1 0 315.778 1.795 50 0 DDAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268991192 207148894 /nfs/dbraw/zinc/14/88/94/207148894.db2.gz SUPHNCUKHUXHBN-AWEZNQCLSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1ccnn1-c1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000058379036 184110772 /nfs/dbraw/zinc/11/07/72/184110772.db2.gz BRDGXGUKWACFOM-UHFFFAOYSA-N -1 0 303.347 1.705 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000062119340 184206762 /nfs/dbraw/zinc/20/67/62/184206762.db2.gz MRBNUPHDOKMNJF-JTQLQIEISA-N -1 0 312.163 1.925 50 0 DDAARM O=C([O-])c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccncc1 ZINC000065288242 184322504 /nfs/dbraw/zinc/32/25/04/184322504.db2.gz LGQKUNLVDGKXJJ-UHFFFAOYSA-N -1 0 324.296 1.799 50 0 DDAARM COc1cccc(-n2cc(CN3C[C@H](C(=O)[O-])CC3=O)cn2)c1 ZINC000065395796 184334975 /nfs/dbraw/zinc/33/49/75/184334975.db2.gz ZHNQNIQAXQRAQG-GFCCVEGCSA-N -1 0 315.329 1.314 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000269186645 207307039 /nfs/dbraw/zinc/30/70/39/207307039.db2.gz MSFYXCHTMFJFIG-QMMMGPOBSA-N -1 0 301.701 1.791 50 0 DDAARM Cc1ccc(N2CCC[C@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)cc1 ZINC000154934161 197006665 /nfs/dbraw/zinc/00/66/65/197006665.db2.gz KODLIYSOWKJFCR-ZDUSSCGKSA-N -1 0 316.357 1.471 50 0 DDAARM COc1ccc2nc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)ccc2c1 ZINC000299748144 533344320 /nfs/dbraw/zinc/34/43/20/533344320.db2.gz GFMNWHXKCZCXDC-CQSZACIVSA-N -1 0 316.313 1.169 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(N3CCOCC3)c(F)c2)C1 ZINC000299740634 134741307 /nfs/dbraw/zinc/74/13/07/134741307.db2.gz AUANPXUIIJDHJZ-GFCCVEGCSA-N -1 0 322.336 1.209 50 0 DDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000000184452 406629417 /nfs/dbraw/zinc/62/94/17/406629417.db2.gz CWGUZPQPISQBPV-UHFFFAOYSA-N -1 0 320.320 1.695 50 0 DDAARM O=C([O-])c1sccc1NC(=O)CNC(=O)c1ccccc1 ZINC000001396628 406668091 /nfs/dbraw/zinc/66/80/91/406668091.db2.gz DHBBYYHDVMMOPB-UHFFFAOYSA-N -1 0 304.327 1.815 50 0 DDAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cn3)ccc2N1 ZINC000069675810 406753745 /nfs/dbraw/zinc/75/37/45/406753745.db2.gz VMFROHXFPOPDQK-UHFFFAOYSA-N -1 0 321.333 1.906 50 0 DDAARM C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000069705114 406760982 /nfs/dbraw/zinc/76/09/82/406760982.db2.gz ARVHNWXIGIZEFI-LURJTMIESA-N -1 0 300.240 1.608 50 0 DDAARM CCOC(=O)[C@@](O)(NC(=O)c1ccccc1C)C(F)(F)F ZINC000004343703 406723044 /nfs/dbraw/zinc/72/30/44/406723044.db2.gz FHCFGQWBIZRXLI-LBPRGKRZSA-N -1 0 305.252 1.539 50 0 DDAARM Cn1c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2n(C)c1=O ZINC000011615511 406828647 /nfs/dbraw/zinc/82/86/47/406828647.db2.gz HLJVIDFGZGRKFT-UHFFFAOYSA-N -1 0 318.358 1.073 50 0 DDAARM CCn1nc(CC(C)C)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000072407956 406881138 /nfs/dbraw/zinc/88/11/38/406881138.db2.gz ZUIWGQKKSLZNJF-CYBMUJFWSA-N -1 0 309.366 1.027 50 0 DDAARM CN(Cc1ccco1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000035126607 406967790 /nfs/dbraw/zinc/96/77/90/406967790.db2.gz KNUCBJBHAXQNIW-UHFFFAOYSA-N -1 0 301.345 1.860 50 0 DDAARM CC1(C)Oc2ccccc2N(CCC(=O)NCCC(=O)[O-])C1=O ZINC000033520762 406961634 /nfs/dbraw/zinc/96/16/34/406961634.db2.gz YCRVTJMJMGCHJV-UHFFFAOYSA-N -1 0 320.345 1.172 50 0 DDAARM Cn1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cn1 ZINC000078236814 407021134 /nfs/dbraw/zinc/02/11/34/407021134.db2.gz CIONSWYMYKBBRG-UHFFFAOYSA-N -1 0 321.337 1.546 50 0 DDAARM CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000044973412 407037900 /nfs/dbraw/zinc/03/79/00/407037900.db2.gz VVRMSKUHPMVTPW-GFCCVEGCSA-N -1 0 304.346 1.972 50 0 DDAARM CN(CCc1cn[nH]c1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000077440003 406991356 /nfs/dbraw/zinc/99/13/56/406991356.db2.gz LXJCWDUXQWIIBO-UHFFFAOYSA-N -1 0 324.344 1.639 50 0 DDAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1cccc(F)c1 ZINC000047328526 407072551 /nfs/dbraw/zinc/07/25/51/407072551.db2.gz PURFJUPAMBNDKX-UHFFFAOYSA-N -1 0 319.321 1.602 50 0 DDAARM COC(=O)c1sc([N-]S(=O)(=O)c2c[nH]c(C)n2)nc1C ZINC000089562688 407140214 /nfs/dbraw/zinc/14/02/14/407140214.db2.gz JRTUWVNGDKKXIG-UHFFFAOYSA-N -1 0 316.364 1.070 50 0 DDAARM O=S(=O)([N-]c1nncn1Cc1ccccc1)c1cccnc1 ZINC000096410844 407261122 /nfs/dbraw/zinc/26/11/22/407261122.db2.gz QYZMXJOKKISHKN-UHFFFAOYSA-N -1 0 315.358 1.522 50 0 DDAARM CCCc1noc(CN(C)[C@H](C(=O)[O-])c2ccc(N)nc2)n1 ZINC000095376004 407210722 /nfs/dbraw/zinc/21/07/22/407210722.db2.gz IHSHKHXJGUGGAM-ZDUSSCGKSA-N -1 0 305.338 1.257 50 0 DDAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N(C)Cc1cnn(C)c1 ZINC000095379740 407212596 /nfs/dbraw/zinc/21/25/96/407212596.db2.gz VPJXSVIUEXJDQU-CQSZACIVSA-N -1 0 307.325 1.826 50 0 DDAARM CC(C)(C)[C@@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000095424663 407213410 /nfs/dbraw/zinc/21/34/10/407213410.db2.gz MUTQTTOIGQRIPP-MFKMUULPSA-N -1 0 304.346 1.728 50 0 DDAARM CCC[C@@](C)(NC(=O)Cc1cnn(-c2ccccc2)n1)C(=O)[O-] ZINC000095989403 407221307 /nfs/dbraw/zinc/22/13/07/407221307.db2.gz VWMCLNKBFVOLNO-MRXNPFEDSA-N -1 0 316.361 1.569 50 0 DDAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096007286 407223337 /nfs/dbraw/zinc/22/33/37/407223337.db2.gz FCAPSLRDRXKNBK-UHFFFAOYSA-N -1 0 306.269 1.933 50 0 DDAARM O=c1cc(-c2ccc3nccn3c2)nc2[n-]c(-c3ccco3)nn21 ZINC000102589063 407324075 /nfs/dbraw/zinc/32/40/75/407324075.db2.gz DCXOJADBNXVOFU-UHFFFAOYSA-N -1 0 318.296 1.992 50 0 DDAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1ccccc1OC1CCC1 ZINC000096449947 407268631 /nfs/dbraw/zinc/26/86/31/407268631.db2.gz GHSSTOLTSYHQNE-UHFFFAOYSA-N -1 0 302.334 1.002 50 0 DDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2cc(Cl)ccc2Cl)c1=O ZINC000100316081 407307615 /nfs/dbraw/zinc/30/76/15/407307615.db2.gz HCLPZJRXXYDKAO-VIFPVBQESA-N -1 0 315.112 1.781 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)c2ccc3c(c2)CCO3)n1 ZINC000218249424 407516050 /nfs/dbraw/zinc/51/60/50/407516050.db2.gz WIVOPRGTPBKNOB-UHFFFAOYSA-N -1 0 318.354 1.749 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2Cn2cncn2)C1 ZINC000128554706 407549005 /nfs/dbraw/zinc/54/90/05/407549005.db2.gz YIZZLDRGNUVMHD-CYBMUJFWSA-N -1 0 314.345 1.263 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CSc2ccccc2O1 ZINC000299748717 292452773 /nfs/dbraw/zinc/45/27/73/292452773.db2.gz HYHQTEILDCYKJC-LLVKDONJSA-N -1 0 311.359 1.099 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000238058271 407878520 /nfs/dbraw/zinc/87/85/20/407878520.db2.gz PIXWCKSTGVZYTQ-LBPRGKRZSA-N -1 0 315.329 1.392 50 0 DDAARM CC(C)C[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC000262502778 407851651 /nfs/dbraw/zinc/85/16/51/407851651.db2.gz NTMGKAGSTHOOPF-ZYHUDNBSSA-N -1 0 310.350 1.261 50 0 DDAARM CC[C@@](CNC(=O)c1cnn(C)c1)(C(=O)[O-])c1ccccc1 ZINC000263103241 408025944 /nfs/dbraw/zinc/02/59/44/408025944.db2.gz WOMCNYGKAZNSCC-INIZCTEOSA-N -1 0 301.346 1.583 50 0 DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc3c2OCC3)C1 ZINC000263120575 408032957 /nfs/dbraw/zinc/03/29/57/408032957.db2.gz MAGTWOWXTYRZGS-NSHDSACASA-N -1 0 311.359 1.107 50 0 DDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000263189470 408051843 /nfs/dbraw/zinc/05/18/43/408051843.db2.gz XQSGPBGICCXEIJ-QWRGUYRKSA-N -1 0 309.366 1.248 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(-n3cncn3)c2)C1 ZINC000136113659 408075204 /nfs/dbraw/zinc/07/52/04/408075204.db2.gz ZLGOLTWBNQGSCE-LBPRGKRZSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000136154196 408082502 /nfs/dbraw/zinc/08/25/02/408082502.db2.gz JDJVLJTZHNGPKG-SECBINFHSA-N -1 0 318.304 1.604 50 0 DDAARM COC(=O)[C@H](C)CS(=O)(=O)[N-]c1cnoc1-c1ccccc1 ZINC000182489828 408178028 /nfs/dbraw/zinc/17/80/28/408178028.db2.gz GNVARJMVACGTDZ-SNVBAGLBSA-N -1 0 324.358 1.892 50 0 DDAARM Cc1c(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)cnn1C ZINC000193079569 408691729 /nfs/dbraw/zinc/69/17/29/408691729.db2.gz LZXJGVGJUQISSM-MRXNPFEDSA-N -1 0 301.346 1.501 50 0 DDAARM CN(CC(=O)NC1(CC(=O)[O-])CCCCC1)Cc1ccncc1 ZINC000252494399 408798046 /nfs/dbraw/zinc/79/80/46/408798046.db2.gz NULRLQCARRLDAO-UHFFFAOYSA-N -1 0 319.405 1.807 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)CCc1cccc(F)c1F ZINC000263255992 163938710 /nfs/dbraw/zinc/93/87/10/163938710.db2.gz FPQBQTXOHUQLON-LLVKDONJSA-N -1 0 313.300 1.600 50 0 DDAARM O=C(c1n[nH]c2ccccc21)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000329194169 410157155 /nfs/dbraw/zinc/15/71/55/410157155.db2.gz SUBCDZJCIAUNMC-LLVKDONJSA-N -1 0 312.333 1.754 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cc(F)c(F)cc1Cl ZINC000129425316 196047842 /nfs/dbraw/zinc/04/78/42/196047842.db2.gz FUOOSLUXISUDRT-ZETCQYMHSA-N -1 0 319.691 1.934 50 0 DDAARM O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000036885597 418415399 /nfs/dbraw/zinc/41/53/99/418415399.db2.gz MMJOWJPYLLELMJ-UHFFFAOYSA-N -1 0 321.757 1.964 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)COc2ccc(F)cc2Cl)CCO1 ZINC000049864781 418478348 /nfs/dbraw/zinc/47/83/48/418478348.db2.gz YOVGJPFYMMLUSH-LLVKDONJSA-N -1 0 317.700 1.170 50 0 DDAARM COc1cccc2c1OCC(C(=O)N1CCC[C@@H]1C(=O)[O-])=C2 ZINC000263322244 222307314 /nfs/dbraw/zinc/30/73/14/222307314.db2.gz RSIBEMKCNNLPIA-GFCCVEGCSA-N -1 0 303.314 1.547 50 0 DDAARM COc1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000408513528 418806214 /nfs/dbraw/zinc/80/62/14/418806214.db2.gz RVLAWDNFMKRDKN-GFCCVEGCSA-N -1 0 313.737 1.203 50 0 DDAARM CN(Cc1[nH]nc2c1CCCC2)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426506607 419496438 /nfs/dbraw/zinc/49/64/38/419496438.db2.gz JNVYLROXXKLANR-WDEREUQCSA-N -1 0 305.378 1.748 50 0 DDAARM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1cnn(C)c1 ZINC000630185492 421943201 /nfs/dbraw/zinc/94/32/01/421943201.db2.gz OICDDHUHDFHTAL-GFCCVEGCSA-N -1 0 301.346 1.465 50 0 DDAARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c(F)c1F ZINC000629291774 422586612 /nfs/dbraw/zinc/58/66/12/422586612.db2.gz OZDWCJSKLAQNON-LLVKDONJSA-N -1 0 307.318 1.661 50 0 DDAARM CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000005451471 279185261 /nfs/dbraw/zinc/18/52/61/279185261.db2.gz BTSAMJQORZIHHL-NSHDSACASA-N -1 0 305.334 1.654 50 0 DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccon2)c(OC)c1 ZINC000095391338 295203058 /nfs/dbraw/zinc/20/30/58/295203058.db2.gz NNJUBXYBAQHNKN-AWEZNQCLSA-N -1 0 306.318 1.950 50 0 DDAARM Cn1ncc2c1NC(=O)CS[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000049546920 303059085 /nfs/dbraw/zinc/05/90/85/303059085.db2.gz ZHEPUHAHKKKSAU-GFCCVEGCSA-N -1 0 303.343 1.893 50 0 DDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)NCCCc2ccco2)N1C1CC1 ZINC000663227984 484752127 /nfs/dbraw/zinc/75/21/27/484752127.db2.gz BZTZEVXHWPGLRD-UONOGXRCSA-N -1 0 306.362 1.408 50 0 DDAARM Cc1oc(CNC(=O)[C@@H](C)OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299750745 534545219 /nfs/dbraw/zinc/54/52/19/534545219.db2.gz OGIWKELWOUGWMK-GHMZBOCLSA-N -1 0 311.334 1.487 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299748099 534857989 /nfs/dbraw/zinc/85/79/89/534857989.db2.gz FZTASSDTYWJXFN-AWEZNQCLSA-N -1 0 323.393 1.010 50 0 DDAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000004976619 696011729 /nfs/dbraw/zinc/01/17/29/696011729.db2.gz CYZKEQKTXMICME-RNQWEJQRSA-N -1 0 320.320 1.378 50 0 DDAARM CCOC(=O)[C@@](O)(c1ccc(CCC(=O)[O-])o1)C(F)(F)F ZINC000034133947 696127634 /nfs/dbraw/zinc/12/76/34/696127634.db2.gz XWUJGIGFFHKIBW-NSHDSACASA-N -1 0 310.224 1.610 50 0 DDAARM Cn1cc(C=CC(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)cn1 ZINC000877871167 706229130 /nfs/dbraw/zinc/22/91/30/706229130.db2.gz LQMFSUDUXZMSPJ-QRGHLMKCSA-N -1 0 305.338 1.013 50 0 DDAARM COC(=O)c1oc(Cn2ccc(=O)c3c([O-])nn(C)c32)cc1C ZINC000585123109 771953935 /nfs/dbraw/zinc/95/39/35/771953935.db2.gz VQJIECNXFBIQMA-UHFFFAOYSA-N -1 0 317.301 1.177 50 0 DDAARM C[C@@H]1[C@H](C(=O)N(C)c2nnn[n-]2)CCCN1C(=O)OC(C)(C)C ZINC000585128387 771960353 /nfs/dbraw/zinc/96/03/53/771960353.db2.gz ZZEJDTDJYTVUPD-NXEZZACHSA-N -1 0 324.385 1.198 50 0 DDAARM CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2nc[nH]c(=O)c2c1 ZINC000952849760 775571864 /nfs/dbraw/zinc/57/18/64/775571864.db2.gz QULLXIBUDFVASS-SNVBAGLBSA-N -1 0 321.358 1.186 50 0 DDAARM O=S(=O)([N-]c1nc2ncccn2n1)c1cc(F)cc(F)c1 ZINC000079102250 185158629 /nfs/dbraw/zinc/15/86/29/185158629.db2.gz BBDVANCPGKCGMF-UHFFFAOYSA-N -1 0 311.273 1.203 50 0 DDAARM Cc1nn(-c2ccc(C)cc2C)nc1C(=O)N(C)CC(=O)[O-] ZINC000096997493 185395790 /nfs/dbraw/zinc/39/57/90/185395790.db2.gz QXKKESVIJITXEB-UHFFFAOYSA-N -1 0 302.334 1.349 50 0 DDAARM Cc1cccc2c(=O)n(CC(=O)[N-]O[C@H]3CCCCO3)cnc12 ZINC000058342176 190691501 /nfs/dbraw/zinc/69/15/01/190691501.db2.gz YTJIHZAWFPKVKJ-AWEZNQCLSA-N -1 0 317.345 1.279 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C=C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC000685940559 539564564 /nfs/dbraw/zinc/56/45/64/539564564.db2.gz OECHKMSECJRFPG-MCIONIFRSA-N -1 0 318.377 1.689 50 0 DDAARM CNc1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cs1 ZINC000217020345 290843854 /nfs/dbraw/zinc/84/38/54/290843854.db2.gz MLKLVYZQIDTKDO-GFCCVEGCSA-N -1 0 317.370 1.837 50 0 DDAARM C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000237471666 186294488 /nfs/dbraw/zinc/29/44/88/186294488.db2.gz WHRTVRMIOIUNPQ-NXEZZACHSA-N -1 0 324.764 1.530 50 0 DDAARM O=C([O-])[C@H]1CN(Cc2cnc(-c3cccs3)nc2)CCO1 ZINC000072474837 191177305 /nfs/dbraw/zinc/17/73/05/191177305.db2.gz XSLQIOWQBBDPRX-LLVKDONJSA-N -1 0 305.359 1.491 50 0 DDAARM O=C([O-])[C@@H]1SCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000306203 180754251 /nfs/dbraw/zinc/75/42/51/180754251.db2.gz RYMKROKXVBLIBL-ZDUSSCGKSA-N -1 0 323.395 1.988 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000001472296 180869291 /nfs/dbraw/zinc/86/92/91/180869291.db2.gz YUBGCBIDDMVVOC-SSDOTTSWSA-N -1 0 309.796 1.887 50 0 DDAARM NC(=O)CC1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1 ZINC000492121415 234390566 /nfs/dbraw/zinc/39/05/66/234390566.db2.gz XHPHAONWMHSQQV-UTCJRWHESA-N -1 0 316.357 1.512 50 0 DDAARM Cc1c(NC(=O)CCC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000003603334 181038999 /nfs/dbraw/zinc/03/89/99/181038999.db2.gz STFOYVGOXBPLTJ-UHFFFAOYSA-N -1 0 303.318 1.288 50 0 DDAARM COCCN1[C@@H](C)CN(C(=O)c2c([O-])cccc2F)C[C@@H]1C ZINC000130626300 354095150 /nfs/dbraw/zinc/09/51/50/354095150.db2.gz HZLKKIQJRSDZPB-RYUDHWBXSA-N -1 0 310.369 1.713 50 0 DDAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1OC ZINC000004294294 181093524 /nfs/dbraw/zinc/09/35/24/181093524.db2.gz FPRZBJNVEINXAM-UHFFFAOYSA-N -1 0 309.347 1.676 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N(C)CC(=O)[O-])C2=O)cc1C ZINC000237156366 202169852 /nfs/dbraw/zinc/16/98/52/202169852.db2.gz LHULQJMSCIDUBN-CYBMUJFWSA-N -1 0 304.346 1.199 50 0 DDAARM Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc21 ZINC000237662957 202322043 /nfs/dbraw/zinc/32/20/43/202322043.db2.gz RYEHTIJTLGWNMA-LLVKDONJSA-N -1 0 320.320 1.931 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)nn2)cc1 ZINC000237829389 202364056 /nfs/dbraw/zinc/36/40/56/202364056.db2.gz ZSUBWXDPXBWNHZ-LLVKDONJSA-N -1 0 300.318 1.122 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccncc1Br ZINC000190549754 304104602 /nfs/dbraw/zinc/10/46/02/304104602.db2.gz MBIRPEMMAAKMEW-JTQLQIEISA-N -1 0 313.151 1.923 50 0 DDAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2nccn2)C1 ZINC000091526784 193069945 /nfs/dbraw/zinc/06/99/45/193069945.db2.gz ZYCADTDYNIMORN-HNNXBMFYSA-N -1 0 306.366 1.328 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1Cl ZINC000261672749 203091895 /nfs/dbraw/zinc/09/18/95/203091895.db2.gz ASHJEFAKEDXBOQ-UHFFFAOYSA-N -1 0 320.754 1.004 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2ccc(OC)nc2)(C(=O)[O-])C1(C)C ZINC000262686383 203383215 /nfs/dbraw/zinc/38/32/15/203383215.db2.gz ARGONDOFBUGCGL-ZBEGNZNMSA-N -1 0 322.361 1.478 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@H]2OCCc3ccccc32)CCSC1 ZINC000043511125 304164609 /nfs/dbraw/zinc/16/46/09/304164609.db2.gz ATTKFHVKHXEYHH-SWLSCSKDSA-N -1 0 307.371 1.377 50 0 DDAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc2c1OCCO2 ZINC000013425620 181849135 /nfs/dbraw/zinc/84/91/35/181849135.db2.gz KCVFMROUFWLHII-UHFFFAOYSA-N -1 0 321.329 1.403 50 0 DDAARM CC(C)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000015971374 182027095 /nfs/dbraw/zinc/02/70/95/182027095.db2.gz HENJGQNAQVUNIK-GFCCVEGCSA-N -1 0 302.334 1.675 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000037406447 304180622 /nfs/dbraw/zinc/18/06/22/304180622.db2.gz UPIALQGHEWCXTB-GFCCVEGCSA-N -1 0 311.359 1.249 50 0 DDAARM COc1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1OC ZINC000020614939 182239361 /nfs/dbraw/zinc/23/93/61/182239361.db2.gz GYQQKGITAGJUEW-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM [O-]c1c([C@@H](c2ccco2)N2CCOCC2)sc2ncnn12 ZINC000022610078 182327750 /nfs/dbraw/zinc/32/77/50/182327750.db2.gz NXQIRLYJSAYIKY-SNVBAGLBSA-N -1 0 306.347 1.511 50 0 DDAARM CCCc1noc(C2CCN(C(=O)CCCC(=O)[O-])CC2)n1 ZINC000041123549 183168271 /nfs/dbraw/zinc/16/82/71/183168271.db2.gz PIZXXVBMRIICOT-UHFFFAOYSA-N -1 0 309.366 1.983 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2nccc3ccccc32)CCSC1 ZINC000043512497 183369531 /nfs/dbraw/zinc/36/95/31/183369531.db2.gz MIMJGHVFYXMFOU-OAHLLOKOSA-N -1 0 302.355 1.925 50 0 DDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 ZINC000005146350 304211729 /nfs/dbraw/zinc/21/17/29/304211729.db2.gz PWBCMFRVRQSIEB-OXJKWZBOSA-N -1 0 323.707 1.850 50 0 DDAARM CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047059889 183580099 /nfs/dbraw/zinc/58/00/99/183580099.db2.gz VUTKYZWYMDZLGX-ZETCQYMHSA-N -1 0 320.374 1.252 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000268929804 207096284 /nfs/dbraw/zinc/09/62/84/207096284.db2.gz XWYWWDMKBZWVAS-KBPBESRZSA-N -1 0 316.357 1.146 50 0 DDAARM O=C([O-])c1cc2cccnc2n1S(=O)(=O)c1ccccc1 ZINC000005800141 304229485 /nfs/dbraw/zinc/22/94/85/304229485.db2.gz DUNCEEUEBVPMEV-UHFFFAOYSA-N -1 0 302.311 1.972 50 0 DDAARM CCc1cccc2c(CC(=O)N3CCOC[C@@H]3C(=O)[O-])c[nH]c21 ZINC000268973143 207134572 /nfs/dbraw/zinc/13/45/72/207134572.db2.gz HZURAYJHUMHDQE-CQSZACIVSA-N -1 0 316.357 1.585 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 ZINC000062119341 184206756 /nfs/dbraw/zinc/20/67/56/184206756.db2.gz MRBNUPHDOKMNJF-SNVBAGLBSA-N -1 0 312.163 1.925 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000062118643 184206843 /nfs/dbraw/zinc/20/68/43/184206843.db2.gz MCBNHNFTWZIGGH-QMMMGPOBSA-N -1 0 301.701 1.791 50 0 DDAARM CCC[C@@]1(C(=O)[O-])CCCN(S(=O)(=O)c2cn(C)cn2)C1 ZINC000062874091 184258022 /nfs/dbraw/zinc/25/80/22/184258022.db2.gz KFTIQDYWEOWORP-CYBMUJFWSA-N -1 0 315.395 1.076 50 0 DDAARM Cc1cccc([N-]S(=O)(=O)c2cc3c(=O)n(C)ncn3c2)c1 ZINC000065246748 184318105 /nfs/dbraw/zinc/31/81/05/184318105.db2.gz MGRNDTRKBFCION-UHFFFAOYSA-N -1 0 318.358 1.142 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(N3CCc4n[nH]cc4C3)n2)c1 ZINC000072474768 304272894 /nfs/dbraw/zinc/27/28/94/304272894.db2.gz CBZIEFBCPAFDDJ-UHFFFAOYSA-N -1 0 322.328 1.523 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2cccc3cccnc23)CCO1 ZINC000238126844 257237952 /nfs/dbraw/zinc/23/79/52/257237952.db2.gz YCKRNZXLFFPNOW-PSKZRQQASA-N -1 0 312.325 1.560 50 0 DDAARM Cc1cc2nc(CN(C)Cc3snnc3C)cc(=O)n2[n-]1 ZINC000334159614 257261874 /nfs/dbraw/zinc/26/18/74/257261874.db2.gz OFTCXXXEMHTORQ-UHFFFAOYSA-N -1 0 304.379 1.123 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])C2 ZINC000299745873 533280514 /nfs/dbraw/zinc/28/05/14/533280514.db2.gz TTYHUNLCKNYUQM-WCQYABFASA-N -1 0 305.330 1.322 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])C2 ZINC000299745871 533281617 /nfs/dbraw/zinc/28/16/17/533281617.db2.gz TTYHUNLCKNYUQM-AAEUAGOBSA-N -1 0 305.330 1.322 50 0 DDAARM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc(N(C)C)nc1 ZINC000075162092 292124381 /nfs/dbraw/zinc/12/43/81/292124381.db2.gz BNLWGAFIQFEAKP-UHFFFAOYSA-N -1 0 310.354 1.791 50 0 DDAARM CCO[N-]C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000022874486 286186613 /nfs/dbraw/zinc/18/66/13/286186613.db2.gz SMFLMYVWNWPISQ-CYBMUJFWSA-N -1 0 312.391 1.298 50 0 DDAARM O=C([O-])C1(NC(=O)CCc2nc3ccccc3[nH]2)CCOCC1 ZINC000222830595 407560264 /nfs/dbraw/zinc/56/02/64/407560264.db2.gz UNAMWRJVFZZJCQ-UHFFFAOYSA-N -1 0 317.345 1.246 50 0 DDAARM CC(=O)Nc1cccc(-c2nnc(SCC(=O)[O-])n2C)c1 ZINC000000095112 406620496 /nfs/dbraw/zinc/62/04/96/406620496.db2.gz UYDWBBSPDNBHSS-UHFFFAOYSA-N -1 0 306.347 1.617 50 0 DDAARM CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2c(Cl)cnn2C)N1 ZINC000000998714 406662195 /nfs/dbraw/zinc/66/21/95/406662195.db2.gz UTYVMBLDSYCSJO-SNVBAGLBSA-N -1 0 324.690 1.936 50 0 DDAARM O=C(NCc1ccccc1COc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000069568115 406735053 /nfs/dbraw/zinc/73/50/53/406735053.db2.gz VXSKFSVEYZVTQB-UHFFFAOYSA-N -1 0 324.340 1.607 50 0 DDAARM CCOC(=O)N=c1[n-]nc(SCC(=O)NC2CC2)s1 ZINC000069570037 406737948 /nfs/dbraw/zinc/73/79/48/406737948.db2.gz PNECVLHQDKINFK-UHFFFAOYSA-N -1 0 302.381 1.477 50 0 DDAARM C[C@@H](Nc1nc(N2CCOCC2)nc(=O)[n-]1)c1ccccc1 ZINC000006493651 406739891 /nfs/dbraw/zinc/73/98/91/406739891.db2.gz ZOWKUNQFDPGCTM-LLVKDONJSA-N -1 0 301.350 1.175 50 0 DDAARM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1cccs1 ZINC000007051804 406747715 /nfs/dbraw/zinc/74/77/15/406747715.db2.gz ZQNYWBFKPWRDJK-UHFFFAOYSA-N -1 0 307.360 1.525 50 0 DDAARM Cc1nnc(SCC(=O)NCc2cccc(Cl)c2)[n-]c1=O ZINC000007942918 406772956 /nfs/dbraw/zinc/77/29/56/406772956.db2.gz IVNCSWDQXLKXNR-UHFFFAOYSA-N -1 0 324.793 1.948 50 0 DDAARM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2cnn(C)c2)s1 ZINC000069491984 406723791 /nfs/dbraw/zinc/72/37/91/406723791.db2.gz KKHHGCBMQCPBQH-RISCZKNCSA-N -1 0 319.386 1.964 50 0 DDAARM COc1cc2[n-]c(O)c(C(=O)NCC(C)C)c(=O)c2cc1OC ZINC000008969239 406800567 /nfs/dbraw/zinc/80/05/67/406800567.db2.gz RFYGNDVQIGPQQV-UHFFFAOYSA-N -1 0 320.345 1.637 50 0 DDAARM O=C([O-])CNC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009531383 406812086 /nfs/dbraw/zinc/81/20/86/406812086.db2.gz NNUJPALFBHEJSW-UHFFFAOYSA-N -1 0 303.318 1.801 50 0 DDAARM O=C([O-])CCc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000013087114 406857651 /nfs/dbraw/zinc/85/76/51/406857651.db2.gz JTNZSBCBHZURMJ-UHFFFAOYSA-N -1 0 309.343 1.775 50 0 DDAARM O=C([O-])CCCn1nnnc1CN1CCc2ccccc2C1 ZINC000012377442 406843660 /nfs/dbraw/zinc/84/36/60/406843660.db2.gz MFWMYRZMSDMTDG-UHFFFAOYSA-N -1 0 301.350 1.096 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)no1 ZINC000012446718 406844809 /nfs/dbraw/zinc/84/48/09/406844809.db2.gz UOZPBUJPTPZCSP-MRVPVSSYSA-N -1 0 323.330 1.503 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000034926341 406965529 /nfs/dbraw/zinc/96/55/29/406965529.db2.gz WROYMWVTBFJMGA-OLZOCXBDSA-N -1 0 303.362 1.087 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3nncn3n2)cc1C ZINC000033277222 406960467 /nfs/dbraw/zinc/96/04/67/406960467.db2.gz SMCJAXWKUOVRSQ-UHFFFAOYSA-N -1 0 303.347 1.542 50 0 DDAARM O=C([O-])c1ccc(Oc2nccnc2N2CCOCC2)cc1 ZINC000033268031 406960719 /nfs/dbraw/zinc/96/07/19/406960719.db2.gz AWEVNJMAPIZMTM-UHFFFAOYSA-N -1 0 301.302 1.804 50 0 DDAARM O=C([O-])CCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000095348420 407207033 /nfs/dbraw/zinc/20/70/33/407207033.db2.gz NTMJQKKPMRDCGJ-UHFFFAOYSA-N -1 0 302.286 1.736 50 0 DDAARM Nc1c(C(=O)[O-])nsc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000067172774 407268835 /nfs/dbraw/zinc/26/88/35/407268835.db2.gz LYSUYXLFCFECJQ-UHFFFAOYSA-N -1 0 321.314 1.082 50 0 DDAARM Cc1n[nH]c2cc(NC(=O)c3c[n-]c4c(cnn4C)c3=O)ccc12 ZINC000097237543 407289806 /nfs/dbraw/zinc/28/98/06/407289806.db2.gz SETCERAJJQZQEI-UHFFFAOYSA-N -1 0 322.328 1.699 50 0 DDAARM CC(C)(NC(=O)CCc1nc(-c2ccsc2)no1)C(=O)[O-] ZINC000236658114 407741375 /nfs/dbraw/zinc/74/13/75/407741375.db2.gz BFNMPYFJXGWKMV-UHFFFAOYSA-N -1 0 309.347 1.710 50 0 DDAARM CNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000237153677 407801374 /nfs/dbraw/zinc/80/13/74/407801374.db2.gz MALXMPWCRLBPKH-VIIAAUOXSA-N -1 0 316.357 1.383 50 0 DDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000237960543 407856242 /nfs/dbraw/zinc/85/62/42/407856242.db2.gz FHDVRPDXHIQYFU-LBPRGKRZSA-N -1 0 316.361 1.535 50 0 DDAARM CNC(=O)c1cccc(CCC(=O)NC[C@H](C)CC(=O)[O-])c1 ZINC000262871244 407957691 /nfs/dbraw/zinc/95/76/91/407957691.db2.gz FTSWYUPZXUQMBU-LLVKDONJSA-N -1 0 306.362 1.206 50 0 DDAARM O=C([O-])[C@H](NC(=O)c1cccc2c1CCC2)[C@H]1CCCOC1 ZINC000263252982 408076808 /nfs/dbraw/zinc/07/68/08/408076808.db2.gz HTIIWAUQQPYOMQ-SWLSCSKDSA-N -1 0 303.358 1.785 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnc(-c2ncccn2)s1 ZINC000136493964 408109046 /nfs/dbraw/zinc/10/90/46/408109046.db2.gz IBLLXAZVPDWGFE-VIFPVBQESA-N -1 0 318.358 1.679 50 0 DDAARM CN(CCC(=O)[O-])C(=O)NCCc1ccccc1OC(F)F ZINC000263432320 408139366 /nfs/dbraw/zinc/13/93/66/408139366.db2.gz ZCXITWIRFCTDFA-UHFFFAOYSA-N -1 0 316.304 1.947 50 0 DDAARM Cc1nnsc1C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263442718 408140618 /nfs/dbraw/zinc/14/06/18/408140618.db2.gz MTONCLODZGQTTN-LLVKDONJSA-N -1 0 305.359 1.614 50 0 DDAARM Cc1noc(CCC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000177480334 408632846 /nfs/dbraw/zinc/63/28/46/408632846.db2.gz HITLAANUQIIMFL-NSHDSACASA-N -1 0 301.302 1.526 50 0 DDAARM Cc1cc(C)cc(CS(=O)(=O)[N-]C(=O)c2ccnn2C)c1 ZINC000252503094 408800762 /nfs/dbraw/zinc/80/07/62/408800762.db2.gz UYFSBGXLGKELFL-UHFFFAOYSA-N -1 0 307.375 1.297 50 0 DDAARM COc1ccc(C(=O)[O-])c(NS(=O)(=O)C[C@H](C)OC)c1 ZINC000282165194 409003251 /nfs/dbraw/zinc/00/32/51/409003251.db2.gz HFJXDPZAIIJNGU-QMMMGPOBSA-N -1 0 303.336 1.170 50 0 DDAARM Cn1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000316979328 409860425 /nfs/dbraw/zinc/86/04/25/409860425.db2.gz LHCQGDNUZXCCSI-GFCCVEGCSA-N -1 0 321.358 1.187 50 0 DDAARM Cn1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC000316979330 409862145 /nfs/dbraw/zinc/86/21/45/409862145.db2.gz LHCQGDNUZXCCSI-LBPRGKRZSA-N -1 0 321.358 1.187 50 0 DDAARM Cc1ncn(C)c1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000299801612 410638437 /nfs/dbraw/zinc/63/84/37/410638437.db2.gz ZIEYVFCSZKFPGS-QGZVFWFLSA-N -1 0 313.357 1.597 50 0 DDAARM CCCc1cc(C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)n(C)n1 ZINC000244874425 222213075 /nfs/dbraw/zinc/21/30/75/222213075.db2.gz XBAXARKONBDSCE-HAQNSBGRSA-N -1 0 307.394 1.993 50 0 DDAARM CCCC1(C(=O)[O-])CCN(C(=O)c2cc(=O)cc(C)n2C)CC1 ZINC000426389563 419457290 /nfs/dbraw/zinc/45/72/90/419457290.db2.gz CTHRRLOMIODBFF-UHFFFAOYSA-N -1 0 320.389 1.801 50 0 DDAARM COc1ccc2[nH]c(C(=O)NCc3n[nH]c(=O)[n-]3)c(C)c2c1 ZINC000426394524 419457502 /nfs/dbraw/zinc/45/75/02/419457502.db2.gz HAYBCYMLDJUKQW-UHFFFAOYSA-N -1 0 301.306 1.239 50 0 DDAARM CCCC[C@@H](c1cccnc1)N(C)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426711280 419534142 /nfs/dbraw/zinc/53/41/42/419534142.db2.gz JOFFOXMUGXBYGG-LBPRGKRZSA-N -1 0 303.366 1.838 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCCCc2cnn(C)c2)c1 ZINC000426478707 228576550 /nfs/dbraw/zinc/57/65/50/228576550.db2.gz IOOCBZIUWOMHMO-UHFFFAOYSA-N -1 0 317.345 1.490 50 0 DDAARM Cc1cc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)on1 ZINC000426536560 419502269 /nfs/dbraw/zinc/50/22/69/419502269.db2.gz UQKCWGLHEPZAAD-INIZCTEOSA-N -1 0 300.314 1.852 50 0 DDAARM Cc1n[nH]c(CCC(=O)NCc2ccc(C(=O)[O-])cc2)c1C ZINC000426596465 419512824 /nfs/dbraw/zinc/51/28/24/419512824.db2.gz IOLJOGCSVOHLNT-UHFFFAOYSA-N -1 0 301.346 1.974 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCS(=O)(=O)C2CCCC2)C1 ZINC000299743802 229381899 /nfs/dbraw/zinc/38/18/99/229381899.db2.gz MITKXRBTKOEHAC-CQSZACIVSA-N -1 0 317.407 1.057 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1cc(C2CC2)nn1 ZINC000299740861 229378104 /nfs/dbraw/zinc/37/81/04/229378104.db2.gz BSPJALNMPJVZOH-XBFCOCLRSA-N -1 0 318.377 1.400 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000299744698 229385125 /nfs/dbraw/zinc/38/51/25/229385125.db2.gz UHDALNXJBWYHTQ-ZDUSSCGKSA-N -1 0 301.302 1.002 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)CCO1 ZINC000299746694 229389245 /nfs/dbraw/zinc/38/92/45/229389245.db2.gz ZFJGFJSCEBHVFB-JTQLQIEISA-N -1 0 307.331 1.064 50 0 DDAARM COc1cc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000492183197 421210331 /nfs/dbraw/zinc/21/03/31/421210331.db2.gz QNNNTMADKHQFBB-NQHOJNORSA-N -1 0 321.329 1.029 50 0 DDAARM CC(C)=CCOc1cccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000262520597 278666684 /nfs/dbraw/zinc/66/66/84/278666684.db2.gz QNBBWEYGILXOHZ-HNNXBMFYSA-N -1 0 319.357 1.957 50 0 DDAARM Cc1[n-]n(C)c(=O)c1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000121709814 281699356 /nfs/dbraw/zinc/69/93/56/281699356.db2.gz PNZUYLONGPZBIT-JTQLQIEISA-N -1 0 315.358 1.608 50 0 DDAARM CN1C[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C(=O)[O-])cc2)C1=O ZINC000263472857 290292615 /nfs/dbraw/zinc/29/26/15/290292615.db2.gz YJDNQSRZDUEXKV-CHWSQXEVSA-N -1 0 302.330 1.078 50 0 DDAARM COc1cccc(CCC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299752732 295293298 /nfs/dbraw/zinc/29/32/98/295293298.db2.gz VEWZAQQQIUOKNV-UHFFFAOYSA-N -1 0 321.373 1.720 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000062913844 297882129 /nfs/dbraw/zinc/88/21/29/297882129.db2.gz ZLTSULZRLJGKQD-IUODEOHRSA-N -1 0 309.749 1.967 50 0 DDAARM Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)[O-])C3)ncn2)n1 ZINC000040351603 301233985 /nfs/dbraw/zinc/23/39/85/301233985.db2.gz RKQFFSUPYNNWRQ-GFCCVEGCSA-N -1 0 301.350 1.580 50 0 DDAARM Cn1cc(Br)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000020214772 302904709 /nfs/dbraw/zinc/90/47/09/302904709.db2.gz PKLHFGLTKDHJDR-SECBINFHSA-N -1 0 315.167 1.867 50 0 DDAARM COc1ccc2oc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c(C)c2c1 ZINC000531746369 303254375 /nfs/dbraw/zinc/25/43/75/303254375.db2.gz BJBRQYPIOKYZRH-CYBMUJFWSA-N -1 0 319.313 1.675 50 0 DDAARM O=C([O-])[C@@H]1CCCCCC[C@@H]1NS(=O)(=O)N1CCCC1 ZINC000547933290 303561599 /nfs/dbraw/zinc/56/15/99/303561599.db2.gz SEHSQFUMMWGJHC-NEPJUHHUSA-N -1 0 304.412 1.340 50 0 DDAARM CN(C)c1nc(CS(=O)(=O)c2nc3ccccc3[n-]2)ns1 ZINC000195556961 325714535 /nfs/dbraw/zinc/71/45/35/325714535.db2.gz DYWYWNSEEMQJTA-UHFFFAOYSA-N -1 0 323.403 1.454 50 0 DDAARM Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000263471487 484275269 /nfs/dbraw/zinc/27/52/69/484275269.db2.gz HYJWKFUGERKKAJ-WOPDTQHZSA-N -1 0 313.375 1.994 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CCO1 ZINC000299746691 534504387 /nfs/dbraw/zinc/50/43/87/534504387.db2.gz ZDEMQOFIHHLIEN-RDBSUJKOSA-N -1 0 307.321 1.631 50 0 DDAARM CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299746404 529245698 /nfs/dbraw/zinc/24/56/98/529245698.db2.gz XDIJEAJZAOVFFJ-ZIAGYGMSSA-N -1 0 307.346 1.464 50 0 DDAARM Cc1nc(C)c(CC(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])s1 ZINC000096162000 696603801 /nfs/dbraw/zinc/60/38/01/696603801.db2.gz SUXPUCPBLSEDJX-LLVKDONJSA-N -1 0 320.374 1.064 50 0 DDAARM CCO[C@@H]1C[C@H](NC(=O)c2ccsc2CC(=O)[O-])[C@@H]1OC ZINC000888097227 709212856 /nfs/dbraw/zinc/21/28/56/709212856.db2.gz FPIJRKWAWULNBK-CWSCBRNRSA-N -1 0 313.375 1.297 50 0 DDAARM O=C([O-])[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCO1 ZINC000828488898 759651864 /nfs/dbraw/zinc/65/18/64/759651864.db2.gz IGPZFROWAVKMPO-AWEZNQCLSA-N -1 0 309.749 1.901 50 0 DDAARM Cc1nc(N(C)C)sc1S(=O)(=O)[N-]C(=O)CC(C)(C)C ZINC000585086553 771934464 /nfs/dbraw/zinc/93/44/64/771934464.db2.gz MDLOATNAKBOLNJ-UHFFFAOYSA-N -1 0 319.452 1.759 50 0 DDAARM CC(C)Cc1cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])on1 ZINC000095500084 185374763 /nfs/dbraw/zinc/37/47/63/185374763.db2.gz QRIOIFFFANCJJX-LBPRGKRZSA-N -1 0 318.333 1.248 50 0 DDAARM CCN(C)C(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000095424085 185361376 /nfs/dbraw/zinc/36/13/76/185361376.db2.gz JUQICNZARXFUFW-AWEZNQCLSA-N -1 0 318.373 1.715 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071288620 190953240 /nfs/dbraw/zinc/95/32/40/190953240.db2.gz LQFAKDZMQHPHJB-QWRGUYRKSA-N -1 0 324.764 1.995 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cnc(C)cn2)(C(=O)[O-])C1(C)C ZINC000262850711 186313082 /nfs/dbraw/zinc/31/30/82/186313082.db2.gz WUHONENNYALLRO-NHYWBVRUSA-N -1 0 307.350 1.173 50 0 DDAARM COc1cc(C(=O)[O-])ccc1NC(=O)CCc1ccnn1C ZINC000262897839 186321077 /nfs/dbraw/zinc/32/10/77/186321077.db2.gz IKPMVYBQLKMXTL-UHFFFAOYSA-N -1 0 303.318 1.698 50 0 DDAARM CCOc1cc(CN=Nc2nnn[n-]2)cc([N+](=O)[O-])c1OCC ZINC000016688401 352162330 /nfs/dbraw/zinc/16/23/30/352162330.db2.gz CFWVYPITDTXYAM-UHFFFAOYSA-N -1 0 321.297 1.351 50 0 DDAARM O=C([O-])[C@@H](CO)Nc1ncnc2ccc(Br)cc21 ZINC000000140158 180705648 /nfs/dbraw/zinc/70/56/48/180705648.db2.gz ZQZCQINBWBJRAE-SECBINFHSA-N -1 0 312.123 1.250 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000001472300 180869179 /nfs/dbraw/zinc/86/91/79/180869179.db2.gz DNLNXDTUESVAHF-UHFFFAOYSA-N -1 0 309.796 1.887 50 0 DDAARM CC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001576054 180874361 /nfs/dbraw/zinc/87/43/61/180874361.db2.gz JYUVJQBGBKAJMS-CQSZACIVSA-N -1 0 322.361 1.672 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1C ZINC000076020312 353390768 /nfs/dbraw/zinc/39/07/68/353390768.db2.gz SJRWJDMABOPSCJ-UONOGXRCSA-N -1 0 310.419 1.801 50 0 DDAARM COc1ccccc1N1CC[C@@H]([N-]C(=O)C(F)(F)Cl)C1=O ZINC000153096071 354196654 /nfs/dbraw/zinc/19/66/54/354196654.db2.gz OSIRSFQVXWUALV-MRVPVSSYSA-N -1 0 318.707 1.748 50 0 DDAARM COc1ccccc1NC(=O)[C@@H](C)Sc1nc(=O)c(C)n[n-]1 ZINC000004386125 181106092 /nfs/dbraw/zinc/10/60/92/181106092.db2.gz ROYYHYGMDREURN-SECBINFHSA-N -1 0 320.374 1.601 50 0 DDAARM O=C([O-])CCCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000004783962 181151765 /nfs/dbraw/zinc/15/17/65/181151765.db2.gz RJWNZPRPJBPWPY-UHFFFAOYSA-N -1 0 306.362 1.712 50 0 DDAARM COc1ccc2c(CC(=O)N3CC[C@@H](C(=O)[O-])C3)coc2c1 ZINC000237267421 202211695 /nfs/dbraw/zinc/21/16/95/202211695.db2.gz KWZHNZCMJFNUOR-SNVBAGLBSA-N -1 0 303.314 1.917 50 0 DDAARM O=C([O-])CN(C(=O)CCc1ccc(F)cc1)C1CCOCC1 ZINC000238097371 304065057 /nfs/dbraw/zinc/06/50/57/304065057.db2.gz JRMXRNLXYPHHEA-UHFFFAOYSA-N -1 0 309.337 1.851 50 0 DDAARM O=C([O-])c1ccc2c(=O)n(-c3cccc(F)c3)c(=O)[nH]c2c1 ZINC000032627829 295990575 /nfs/dbraw/zinc/99/05/75/295990575.db2.gz DWTNULYMHSMATM-UHFFFAOYSA-N -1 0 300.245 1.516 50 0 DDAARM COC(=O)N1CCC(C([O-])=C2C(=O)OC(C)(C)OC2=O)CC1 ZINC000100745899 291181260 /nfs/dbraw/zinc/18/12/60/291181260.db2.gz XIVUJVZQUHOLOM-UHFFFAOYSA-N -1 0 313.306 1.113 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000072420325 304085125 /nfs/dbraw/zinc/08/51/25/304085125.db2.gz PABNKXXVDUODHJ-VIFPVBQESA-N -1 0 318.251 1.416 50 0 DDAARM Cc1cc(C)c(OCC(=O)N(C)C[C@H](C)c2nnn[n-]2)c(C)c1 ZINC000187306309 200092347 /nfs/dbraw/zinc/09/23/47/200092347.db2.gz DHQUSVCYJYYHKO-ZDUSSCGKSA-N -1 0 317.393 1.766 50 0 DDAARM Cc1noc(C)c1C[C@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237511704 202267359 /nfs/dbraw/zinc/26/73/59/202267359.db2.gz RZUWENZAKOYDIZ-JTQLQIEISA-N -1 0 324.377 1.562 50 0 DDAARM Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc21 ZINC000237662926 202321610 /nfs/dbraw/zinc/32/16/10/202321610.db2.gz HPALUXOAGXJMSK-ZDUSSCGKSA-N -1 0 306.293 1.541 50 0 DDAARM Cc1nc(C)n(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)n1 ZINC000237697304 202329406 /nfs/dbraw/zinc/32/94/06/202329406.db2.gz PRTHANZCDYIASV-ZDUSSCGKSA-N -1 0 314.345 1.431 50 0 DDAARM Cn1nnc2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc21 ZINC000237829780 202364711 /nfs/dbraw/zinc/36/47/11/202364711.db2.gz LTGJUKKLTNSANX-LBPRGKRZSA-N -1 0 316.361 1.828 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1 ZINC000237961601 202404509 /nfs/dbraw/zinc/40/45/09/202404509.db2.gz FNAOQCIHGBXUHR-JTQLQIEISA-N -1 0 303.767 1.646 50 0 DDAARM O=C([O-])C1(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)CC1 ZINC000238045684 202427610 /nfs/dbraw/zinc/42/76/10/202427610.db2.gz URZMKIMIWNMTIZ-UHFFFAOYSA-N -1 0 312.329 1.152 50 0 DDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)Cc1ccccc1F ZINC000238102698 202442161 /nfs/dbraw/zinc/44/21/61/202442161.db2.gz SKRRFLVMCACBCO-CYBMUJFWSA-N -1 0 309.337 1.851 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 ZINC000194352443 201207861 /nfs/dbraw/zinc/20/78/61/201207861.db2.gz NDUCJXLJZIFRKZ-CQSZACIVSA-N -1 0 303.358 1.810 50 0 DDAARM CCC[C@@H]1CN(C(=O)CCc2c(C)nn(C)c2C)C[C@H]1C(=O)[O-] ZINC000091877111 193122104 /nfs/dbraw/zinc/12/21/04/193122104.db2.gz VQKPYIMMVIRWEZ-UKRRQHHQSA-N -1 0 321.421 1.929 50 0 DDAARM O=C([O-])[C@]1(CC2CC2)CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000091997284 193138791 /nfs/dbraw/zinc/13/87/91/193138791.db2.gz WZGQPDBVCTZJLX-AWEZNQCLSA-N -1 0 316.423 1.294 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000268974685 304134764 /nfs/dbraw/zinc/13/47/64/304134764.db2.gz JFRWTDZWYLLFOW-HIFRSBDPSA-N -1 0 303.358 1.809 50 0 DDAARM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1COCCO1 ZINC000262350049 203271167 /nfs/dbraw/zinc/27/11/67/203271167.db2.gz BHRUVJICCKNWGZ-LBPRGKRZSA-N -1 0 313.737 1.169 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCOc1cccc(F)c1 ZINC000262535604 203323457 /nfs/dbraw/zinc/32/34/57/203323457.db2.gz UFWFBNNHQPYYAU-ZDUSSCGKSA-N -1 0 311.309 1.297 50 0 DDAARM C[C@H](Cc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1)C(=O)[O-] ZINC000262723305 203393200 /nfs/dbraw/zinc/39/32/00/203393200.db2.gz FPUZSSLMARHPIM-SNVBAGLBSA-N -1 0 317.345 1.497 50 0 DDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cnn2cccnc12 ZINC000262827114 304157694 /nfs/dbraw/zinc/15/76/94/304157694.db2.gz BZJOGTKNOKQMHX-FOGDFJRCSA-N -1 0 300.318 1.055 50 0 DDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000016579420 182050074 /nfs/dbraw/zinc/05/00/74/182050074.db2.gz CYCCYJPFTOTLNB-UHFFFAOYSA-N -1 0 308.334 1.867 50 0 DDAARM CCCc1cc(=O)n2nc(C(=O)N3CCC(C)CC3)[n-]c2n1 ZINC000017045238 182070788 /nfs/dbraw/zinc/07/07/88/182070788.db2.gz VXDGABIBSCETGW-UHFFFAOYSA-N -1 0 303.366 1.655 50 0 DDAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000017056475 182073591 /nfs/dbraw/zinc/07/35/91/182073591.db2.gz GGKHVCZWLRHFLZ-UHFFFAOYSA-N -1 0 323.374 1.706 50 0 DDAARM O=C([O-])[C@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000031775903 304184043 /nfs/dbraw/zinc/18/40/43/304184043.db2.gz MDPDYUNAPDOFDL-ZETCQYMHSA-N -1 0 315.255 1.444 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1CCOC1 ZINC000263208732 304206278 /nfs/dbraw/zinc/20/62/78/304206278.db2.gz WFEJXYQUNQIKCX-IUODEOHRSA-N -1 0 303.358 1.841 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)C1 ZINC000269135206 207266686 /nfs/dbraw/zinc/26/66/86/207266686.db2.gz CWWXNDUTMNQNPO-AGIUHOORSA-N -1 0 317.341 1.494 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2noc(Cc3cccs3)n2)C1 ZINC000065381429 184331834 /nfs/dbraw/zinc/33/18/34/184331834.db2.gz VKRXAADOCWADMQ-MRVPVSSYSA-N -1 0 307.331 1.155 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)cc1 ZINC000237981662 304234361 /nfs/dbraw/zinc/23/43/61/304234361.db2.gz FITPVZZRQFRYLG-HNNXBMFYSA-N -1 0 324.336 1.698 50 0 DDAARM O=C([O-])c1cccc(CC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000263296286 304259159 /nfs/dbraw/zinc/25/91/59/304259159.db2.gz SNQMXUKIDVXGFL-YOEHRIQHSA-N -1 0 319.357 1.382 50 0 DDAARM Cc1ncccc1OC1(C(=O)[O-])CCN(c2ncccn2)CC1 ZINC000072408754 256546210 /nfs/dbraw/zinc/54/62/10/256546210.db2.gz BXXHJLGDCTVOLJ-UHFFFAOYSA-N -1 0 314.345 1.683 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])c(OC)c1 ZINC000328588345 533231694 /nfs/dbraw/zinc/23/16/94/533231694.db2.gz CHZYMPMGLMSFBP-BPJJOFIESA-N -1 0 321.329 1.029 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccnn1C1CCCC1 ZINC000072401432 304284068 /nfs/dbraw/zinc/28/40/68/304284068.db2.gz HPFOOOJIGNIOMX-UHFFFAOYSA-N -1 0 301.306 1.739 50 0 DDAARM COc1ccc2oc(C)c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2c1 ZINC000299749940 533354719 /nfs/dbraw/zinc/35/47/19/533354719.db2.gz MECITYXCRVFUFF-CYBMUJFWSA-N -1 0 319.313 1.675 50 0 DDAARM O=C([O-])CCC(=O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000001069689 406663098 /nfs/dbraw/zinc/66/30/98/406663098.db2.gz WYPAEUAXIGMYQG-UHFFFAOYSA-N -1 0 319.386 1.810 50 0 DDAARM CCOC(=O)c1ccc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001056884 406663650 /nfs/dbraw/zinc/66/36/50/406663650.db2.gz CCULWTWZTGCKLB-JTQLQIEISA-N -1 0 322.342 1.544 50 0 DDAARM NC1=NN2C(=C(c3ccc(C(=O)[O-])cc3)NN2c2ccccc2)N1 ZINC000005683843 406736469 /nfs/dbraw/zinc/73/64/69/406736469.db2.gz CUPSQBKBDSZJAS-UHFFFAOYSA-N -1 0 322.328 1.086 50 0 DDAARM COc1ccccc1NS(=O)(=O)c1ccc(N)c(C(=O)[O-])c1 ZINC000003239680 406714388 /nfs/dbraw/zinc/71/43/88/406714388.db2.gz YPLBETLVRBXNEI-UHFFFAOYSA-N -1 0 322.342 1.776 50 0 DDAARM Cc1nc2sc([C@H](c3ccco3)N3CCOCC3)c([O-])n2n1 ZINC000004111869 406722013 /nfs/dbraw/zinc/72/20/13/406722013.db2.gz AVSQPCDYTBQJQM-NSHDSACASA-N -1 0 320.374 1.819 50 0 DDAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000010302030 406820586 /nfs/dbraw/zinc/82/05/86/406820586.db2.gz RHSTXBZFTLGYER-UHFFFAOYSA-N -1 0 324.333 1.734 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000071285430 406836132 /nfs/dbraw/zinc/83/61/32/406836132.db2.gz JRCJVBNVDJJRAY-STQMWFEESA-N -1 0 316.357 1.874 50 0 DDAARM COc1cc(C)ccc1OCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170920 406859235 /nfs/dbraw/zinc/85/92/35/406859235.db2.gz ZNIJPHBZNCURRM-LBPRGKRZSA-N -1 0 307.346 1.706 50 0 DDAARM CCOC(=O)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000013624476 406864631 /nfs/dbraw/zinc/86/46/31/406864631.db2.gz QOIWASGSKDPLJK-CHWSQXEVSA-N -1 0 311.378 1.679 50 0 DDAARM CC(=O)[C@@H]1CC(C(=O)[N-]C2=NCCS2)=NN1c1ccccc1 ZINC000072067435 406873892 /nfs/dbraw/zinc/87/38/92/406873892.db2.gz QTMLRYAXZZCMDY-ZDUSSCGKSA-N -1 0 316.386 1.429 50 0 DDAARM CCC[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1nnn[n-]1 ZINC000084740429 407094475 /nfs/dbraw/zinc/09/44/75/407094475.db2.gz KFYCOHULVQLPDU-NSHDSACASA-N -1 0 312.333 1.312 50 0 DDAARM CCOc1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000089272135 407128085 /nfs/dbraw/zinc/12/80/85/407128085.db2.gz IXZLAZWJAAFNSX-LBPRGKRZSA-N -1 0 307.346 1.834 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc([S@@](C)=O)c(F)c2)c1 ZINC000089756625 407146815 /nfs/dbraw/zinc/14/68/15/407146815.db2.gz GYLJJSZUPQOITC-IBGZPJMESA-N -1 0 317.367 1.097 50 0 DDAARM Cc1ccc(C)c(OCC(=O)N2CCOC[C@@H]2CC(=O)[O-])c1C ZINC000055382834 407201946 /nfs/dbraw/zinc/20/19/46/407201946.db2.gz JLWBHPMIFGHILW-AWEZNQCLSA-N -1 0 321.373 1.693 50 0 DDAARM COc1ccccc1OC1CN(c2ncncc2C(=O)[O-])C1 ZINC000095356430 407208339 /nfs/dbraw/zinc/20/83/39/407208339.db2.gz PHBQJIDLYCBACD-UHFFFAOYSA-N -1 0 301.302 1.451 50 0 DDAARM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1N1CCNC1=O ZINC000095384992 407212477 /nfs/dbraw/zinc/21/24/77/407212477.db2.gz XJCACUVIXXSDAI-GFCCVEGCSA-N -1 0 317.345 1.214 50 0 DDAARM C[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nnn[n-]1 ZINC000095942100 407215589 /nfs/dbraw/zinc/21/55/89/407215589.db2.gz YUVPOEVWIAAKRE-ZETCQYMHSA-N -1 0 314.176 1.969 50 0 DDAARM Cc1cccc2c(=O)n(CC(=O)[N-]O[C@@H]3CCCCO3)cnc12 ZINC000058342175 407220056 /nfs/dbraw/zinc/22/00/56/407220056.db2.gz YTJIHZAWFPKVKJ-CQSZACIVSA-N -1 0 317.345 1.279 50 0 DDAARM COC[C@@](C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(=O)[O-] ZINC000095989796 407221650 /nfs/dbraw/zinc/22/16/50/407221650.db2.gz WZWMQGZCFXZJRJ-OAHLLOKOSA-N -1 0 321.308 1.231 50 0 DDAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3cc(F)cc(F)c3)c2n1 ZINC000067225486 407270037 /nfs/dbraw/zinc/27/00/37/407270037.db2.gz ROABEFHCZONKIF-UHFFFAOYSA-N -1 0 304.256 1.862 50 0 DDAARM CCc1nc([N-]S(=O)(=O)c2c(CC)nn(C)c2CC)no1 ZINC000097047039 407277120 /nfs/dbraw/zinc/27/71/20/407277120.db2.gz ANSGXZMATXWBMB-UHFFFAOYSA-N -1 0 313.383 1.291 50 0 DDAARM O=C([O-])c1cc2n(n1)CCN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000067642846 407278707 /nfs/dbraw/zinc/27/87/07/407278707.db2.gz FYHVGNWIQHVEPD-UHFFFAOYSA-N -1 0 310.313 1.719 50 0 DDAARM CSCCc1nc(CCn2ccnc2C)n(CC(=O)[O-])n1 ZINC000097574995 407299808 /nfs/dbraw/zinc/29/98/08/407299808.db2.gz BAEKHIFYQXYSKD-UHFFFAOYSA-N -1 0 309.395 1.016 50 0 DDAARM CCCN(C)S(=O)(=O)[N-]C(=O)/C=C(\C)c1ccc(F)cc1 ZINC000098056562 407305156 /nfs/dbraw/zinc/30/51/56/407305156.db2.gz HOVTYGQNFDCVHO-ZHACJKMWSA-N -1 0 314.382 1.932 50 0 DDAARM CSc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ccc1F ZINC000124713803 407367509 /nfs/dbraw/zinc/36/75/09/407367509.db2.gz VZXFCMRICUCWGJ-QMMMGPOBSA-N -1 0 309.370 1.936 50 0 DDAARM CS(=O)(=O)C[C@H]1CCCN(Cc2cccc(C(=O)[O-])c2)C1 ZINC000215963259 407490130 /nfs/dbraw/zinc/49/01/30/407490130.db2.gz OKBYQVGXRBREDA-ZDUSSCGKSA-N -1 0 311.403 1.641 50 0 DDAARM CCOc1ccccc1C(=O)N1CC[NH+](CCCC(=O)[O-])CC1 ZINC000116358324 407747025 /nfs/dbraw/zinc/74/70/25/407747025.db2.gz RHSDQRGUKWVWCC-UHFFFAOYSA-N -1 0 320.389 1.708 50 0 DDAARM CC1CCC(N2C[C@H](C(=O)NCCCCC(=O)[O-])CC2=O)CC1 ZINC000236668647 407747183 /nfs/dbraw/zinc/74/71/83/407747183.db2.gz IYKSURRDYPXIDM-ROKHWSDSSA-N -1 0 324.421 1.785 50 0 DDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000153083210 407749815 /nfs/dbraw/zinc/74/98/15/407749815.db2.gz TVCGRIGYCGASAM-CYBMUJFWSA-N -1 0 308.353 1.581 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)Cn2ccc(C(F)(F)F)n2)o1 ZINC000262299510 407788584 /nfs/dbraw/zinc/78/85/84/407788584.db2.gz OJNCEJNAWKIWDM-UHFFFAOYSA-N -1 0 317.223 1.510 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000238080072 407885054 /nfs/dbraw/zinc/88/50/54/407885054.db2.gz ONSUYGWMWOEDNZ-ZDUSSCGKSA-N -1 0 303.293 1.905 50 0 DDAARM CC(C)C[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC000262502776 407849721 /nfs/dbraw/zinc/84/97/21/407849721.db2.gz NTMGKAGSTHOOPF-PWSUYJOCSA-N -1 0 310.350 1.261 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCO1 ZINC000262890220 407963936 /nfs/dbraw/zinc/96/39/36/407963936.db2.gz AFAAQTHJLKEPBI-ZDUSSCGKSA-N -1 0 322.748 1.607 50 0 DDAARM CCOc1ncccc1C(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000263012712 408001564 /nfs/dbraw/zinc/00/15/64/408001564.db2.gz LPYUZNVLAVUKLJ-MNOVXSKESA-N -1 0 308.334 1.185 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000263086234 408020016 /nfs/dbraw/zinc/02/00/16/408020016.db2.gz ZORCYTUMWCBQFA-KRWDZBQOSA-N -1 0 319.357 1.114 50 0 DDAARM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)Cn2cccn2)c1 ZINC000263218938 408062400 /nfs/dbraw/zinc/06/24/00/408062400.db2.gz QHVNNMZPHNKWSC-INIZCTEOSA-N -1 0 317.345 1.398 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000136021297 408069478 /nfs/dbraw/zinc/06/94/78/408069478.db2.gz NQTAHGMGDPNLMJ-RYUDHWBXSA-N -1 0 321.358 1.295 50 0 DDAARM Cc1cccc(-n2cc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)nn2)c1 ZINC000136109486 408077583 /nfs/dbraw/zinc/07/75/83/408077583.db2.gz UOJYUDYTVGOSBQ-GFCCVEGCSA-N -1 0 314.345 1.513 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(C(=O)[O-])co1 ZINC000183799896 408492433 /nfs/dbraw/zinc/49/24/33/408492433.db2.gz NJBVDVWNTLGZDF-MRVPVSSYSA-N -1 0 305.334 1.689 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2occc2Br)CC1 ZINC000178179685 408784220 /nfs/dbraw/zinc/78/42/20/408784220.db2.gz BXHXOJSCHOPHKR-UHFFFAOYSA-N -1 0 302.124 1.979 50 0 DDAARM CCC[C@H](NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)c1nnn[n-]1 ZINC000170025330 408820128 /nfs/dbraw/zinc/82/01/28/408820128.db2.gz WKVFUNKVVMHCHQ-GXTWGEPZSA-N -1 0 315.377 1.778 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000262380063 163818949 /nfs/dbraw/zinc/81/89/49/163818949.db2.gz IFADTAMQAYJSPC-JHJVBQTASA-N -1 0 302.330 1.019 50 0 DDAARM COc1ccccc1CC(=O)NC[C@@H](C(=O)[O-])C1CCOCC1 ZINC000263032362 163906302 /nfs/dbraw/zinc/90/63/02/163906302.db2.gz VBKNCYWJIZFMSB-CQSZACIVSA-N -1 0 321.373 1.481 50 0 DDAARM COc1cc(C)c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1OC ZINC000263542628 163982443 /nfs/dbraw/zinc/98/24/43/163982443.db2.gz RRQOPGWJJIHDBS-OAHLLOKOSA-N -1 0 311.309 1.651 50 0 DDAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccccc2)cs1 ZINC000013690825 418413338 /nfs/dbraw/zinc/41/33/38/418413338.db2.gz FCTGLEJIEDUYAR-UHFFFAOYSA-N -1 0 311.388 1.696 50 0 DDAARM COc1ccc(NC(=O)COCC(=O)[O-])cc1C(F)(F)F ZINC000044894015 418431323 /nfs/dbraw/zinc/43/13/23/418431323.db2.gz LJEXEZLKQZNQQV-UHFFFAOYSA-N -1 0 307.224 1.754 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000044979075 418435569 /nfs/dbraw/zinc/43/55/69/418435569.db2.gz LCXGIEJJXNOLKC-HIFRSBDPSA-N -1 0 319.357 1.678 50 0 DDAARM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3ccccn3)c[nH]2)o1 ZINC000075428093 418492196 /nfs/dbraw/zinc/49/21/96/418492196.db2.gz CWGNCBWWAASKKH-UHFFFAOYSA-N -1 0 319.346 1.823 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(SC)nn32)cc1 ZINC000101353776 418493798 /nfs/dbraw/zinc/49/37/98/418493798.db2.gz RXXOOOAUUAHWSL-NSHDSACASA-N -1 0 318.358 1.992 50 0 DDAARM Cc1noc(C)c1C[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000123783337 418507027 /nfs/dbraw/zinc/50/70/27/418507027.db2.gz QUOISEPMILUKFD-SECBINFHSA-N -1 0 323.374 1.370 50 0 DDAARM CC(C)[C@@H](CO)O[N-]C(=O)Cc1csc(-c2ccccn2)n1 ZINC000408520622 418808024 /nfs/dbraw/zinc/80/80/24/418808024.db2.gz OLPZWRUEYQGCIE-CYBMUJFWSA-N -1 0 321.402 1.812 50 0 DDAARM O=C([O-])Cn1ccc([C@H]2CCCN(Cc3nccs3)C2)n1 ZINC000426662332 419527026 /nfs/dbraw/zinc/52/70/26/419527026.db2.gz SYVRNRHWYRVFKH-NSHDSACASA-N -1 0 306.391 1.804 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)C1 ZINC000299742147 229378696 /nfs/dbraw/zinc/37/86/96/229378696.db2.gz HXGSONJKOBQOPU-QWHCGFSZSA-N -1 0 316.357 1.511 50 0 DDAARM O=C([O-])c1ccc(C(=O)NCc2cccc3c2OCO3)cn1 ZINC000299744661 229384969 /nfs/dbraw/zinc/38/49/69/229384969.db2.gz UAPZALLBMPKXJJ-UHFFFAOYSA-N -1 0 300.270 1.439 50 0 DDAARM COc1ccccc1CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000555499284 421679589 /nfs/dbraw/zinc/67/95/89/421679589.db2.gz IJZNQKFAECWXLZ-UHFFFAOYSA-N -1 0 321.373 1.720 50 0 DDAARM O=C([O-])Cn1ccc(=NC(=O)C2CCc3ccccc3CC2)[nH]1 ZINC000630135463 421909665 /nfs/dbraw/zinc/90/96/65/421909665.db2.gz OETGMRKOEUHBGD-UHFFFAOYSA-N -1 0 313.357 1.523 50 0 DDAARM C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1ccc(C(F)(F)F)n1 ZINC000630175216 421938502 /nfs/dbraw/zinc/93/85/02/421938502.db2.gz QFEBPWBKRGPATH-SFYZADRCSA-N -1 0 305.256 1.539 50 0 DDAARM O=C([O-])CN(C(=O)C[C@@H]1OCc2ccccc21)C1CCOCC1 ZINC000655540499 424554113 /nfs/dbraw/zinc/55/41/13/424554113.db2.gz DINJFHYJNFDJNQ-HNNXBMFYSA-N -1 0 319.357 1.740 50 0 DDAARM C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237403346 278307549 /nfs/dbraw/zinc/30/75/49/278307549.db2.gz VXLLSPGEQLXZOL-RISCZKNCSA-N -1 0 308.353 1.894 50 0 DDAARM Cc1cc2c(cc1C)[C@@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])CO2 ZINC000263518315 301442759 /nfs/dbraw/zinc/44/27/59/301442759.db2.gz FUYQEVKJWOKRAI-OCCSQVGLSA-N -1 0 319.357 1.482 50 0 DDAARM NC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237893068 303260705 /nfs/dbraw/zinc/26/07/05/303260705.db2.gz RIVPSTTVLRIZPT-VIIAAUOXSA-N -1 0 316.357 1.655 50 0 DDAARM NC(=O)c1cccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000268948177 303346098 /nfs/dbraw/zinc/34/60/98/303346098.db2.gz QVFXCVJXDYHJME-HONMWMINSA-N -1 0 316.357 1.643 50 0 DDAARM C[C@@H](c1ccc(-c2ncn(CC(=O)[O-])n2)cc1)N1CCOCC1 ZINC000534652516 334312550 /nfs/dbraw/zinc/31/25/50/334312550.db2.gz SVQXLKLZXHZDHR-LBPRGKRZSA-N -1 0 316.361 1.423 50 0 DDAARM CC(C)c1cc(CN(C)Cc2cnc(NCC(=O)[O-])nc2)on1 ZINC000534668567 334319718 /nfs/dbraw/zinc/31/97/18/334319718.db2.gz XIKPKFLPYSNLBH-UHFFFAOYSA-N -1 0 319.365 1.717 50 0 DDAARM O=C(NCc1ccc(F)cc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000581791036 761710595 /nfs/dbraw/zinc/71/05/95/761710595.db2.gz KZMXTAPNJZKMEN-NSHDSACASA-N -1 0 304.329 1.428 50 0 DDAARM Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])nc(C)n1 ZINC000952871769 775614411 /nfs/dbraw/zinc/61/44/11/775614411.db2.gz APUZGAIHQPXRAV-AWEZNQCLSA-N -1 0 315.329 1.225 50 0 DDAARM CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000078824791 185115864 /nfs/dbraw/zinc/11/58/64/185115864.db2.gz IZYXEXKJEARUIZ-UHFFFAOYSA-N -1 0 322.361 1.916 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)COc1ccc(F)cc1Cl ZINC000088373511 185247178 /nfs/dbraw/zinc/24/71/78/185247178.db2.gz WGLPRZRNTCXWMN-SNVBAGLBSA-N -1 0 317.700 1.170 50 0 DDAARM Cc1c(Br)cccc1CS(=O)(=O)c1cnn[n-]1 ZINC000090085329 185281143 /nfs/dbraw/zinc/28/11/43/185281143.db2.gz YBOUYYKGFFAORJ-UHFFFAOYSA-N -1 0 316.180 1.850 50 0 DDAARM CCN(Cc1cn(CC)nc1C)C(=O)c1c(C(=O)[O-])cnn1C ZINC000012357954 190636238 /nfs/dbraw/zinc/63/62/38/190636238.db2.gz SNTDDQONNXRHET-UHFFFAOYSA-N -1 0 319.365 1.305 50 0 DDAARM Cc1nnc([N-]C(=O)c2coc(NC(=O)c3ccco3)n2)s1 ZINC000062023043 282332819 /nfs/dbraw/zinc/33/28/19/282332819.db2.gz MRBZOPTVDHGAIB-UHFFFAOYSA-N -1 0 319.302 1.932 50 0 DDAARM O=C([O-])/C=C/C(=O)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000048546647 352542074 /nfs/dbraw/zinc/54/20/74/352542074.db2.gz HWNJAZDSUAAGOY-VOTSOKGWSA-N -1 0 305.311 1.549 50 0 DDAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000072274555 191096483 /nfs/dbraw/zinc/09/64/83/191096483.db2.gz XNYWARWBFLXSHB-CQSZACIVSA-N -1 0 303.358 1.810 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)COCC(F)(F)F)c1ccccc1 ZINC000072281683 191102586 /nfs/dbraw/zinc/10/25/86/191102586.db2.gz LNRUXGKGTHXWGW-SNVBAGLBSA-N -1 0 305.252 1.898 50 0 DDAARM C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237501369 186298569 /nfs/dbraw/zinc/29/85/69/186298569.db2.gz JDDHCDBSZRSPDW-RISCZKNCSA-N -1 0 309.337 1.706 50 0 DDAARM CCOC(=O)c1c(C)csc1NC(=O)CSCC(=O)[O-] ZINC000000117900 180698322 /nfs/dbraw/zinc/69/83/22/180698322.db2.gz PJZXYVFZQSKNFQ-UHFFFAOYSA-N -1 0 317.388 1.990 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)[C@H]3CC34CCC4)CC2)c1 ZINC000072435359 191165676 /nfs/dbraw/zinc/16/56/76/191165676.db2.gz QJSSCLJMWODGLD-CYBMUJFWSA-N -1 0 317.389 1.784 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cc(C)c[nH]3)CC2)c1 ZINC000072429950 191163411 /nfs/dbraw/zinc/16/34/11/191163411.db2.gz PQZMNGMNPCRTMJ-UHFFFAOYSA-N -1 0 316.361 1.544 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)[C@H]1CC=CCC1)C2 ZINC000072474178 191176683 /nfs/dbraw/zinc/17/66/83/191176683.db2.gz FFUBDVPZPTZUEE-ZDUSSCGKSA-N -1 0 317.389 1.989 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000076094830 353398445 /nfs/dbraw/zinc/39/84/45/353398445.db2.gz XMKJTIRDGQRWMI-UONOGXRCSA-N -1 0 320.370 1.733 50 0 DDAARM Cc1cc(C(=O)NC[C@H](Cc2ccccc2C)C(=O)[O-])n(C)n1 ZINC000097228534 353917766 /nfs/dbraw/zinc/91/77/66/353917766.db2.gz FTBOPZCKNPTCRY-AWEZNQCLSA-N -1 0 315.373 1.710 50 0 DDAARM COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)c1 ZINC000003881809 181052334 /nfs/dbraw/zinc/05/23/34/181052334.db2.gz WDXKXEGGFYAZRU-OQMKEHIESA-N -1 0 301.298 1.066 50 0 biogenic DDAARM Cc1c(Cl)cccc1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000193839021 354292421 /nfs/dbraw/zinc/29/24/21/354292421.db2.gz MUIAATFWXDCRPW-UHFFFAOYSA-N -1 0 314.750 1.896 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000004825486 181158087 /nfs/dbraw/zinc/15/80/87/181158087.db2.gz UWOMSRJTBQZUKI-IHRRRGAJSA-N -1 0 301.342 1.858 50 0 DDAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237656709 202320227 /nfs/dbraw/zinc/32/02/27/202320227.db2.gz NTNXZGDRAJBQHE-LBPRGKRZSA-N -1 0 320.301 1.098 50 0 DDAARM Cc1nc(C)n(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)n1 ZINC000237696856 202329651 /nfs/dbraw/zinc/32/96/51/202329651.db2.gz KKWGEWBJWASPMB-CQSZACIVSA-N -1 0 314.345 1.573 50 0 DDAARM Cn1cc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000237767197 202350472 /nfs/dbraw/zinc/35/04/72/202350472.db2.gz VUYCVJKPYBEORH-OAHLLOKOSA-N -1 0 316.357 1.423 50 0 DDAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)nnn1-c1ccc(C)cc1 ZINC000237845336 202368953 /nfs/dbraw/zinc/36/89/53/202368953.db2.gz AIHUGLXTGZCKAG-UHFFFAOYSA-N -1 0 314.345 1.573 50 0 DDAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000095399989 304107537 /nfs/dbraw/zinc/10/75/37/304107537.db2.gz NAAMMCVMDYTXQH-NEPJUHHUSA-N -1 0 306.318 1.897 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000091782252 193106932 /nfs/dbraw/zinc/10/69/32/193106932.db2.gz LIXONZCPPSDQHH-HNNXBMFYSA-N -1 0 309.366 1.452 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1c(Cl)cccc1Cl ZINC000088374289 304134686 /nfs/dbraw/zinc/13/46/86/304134686.db2.gz LBSKZISBADZGNA-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM CCC(CC)(CNC(=O)c1ccc2c(c1)OCC(=O)N2)C(=O)[O-] ZINC000261805743 203121099 /nfs/dbraw/zinc/12/10/99/203121099.db2.gz VGQBBTUNVLRGRJ-UHFFFAOYSA-N -1 0 320.345 1.638 50 0 DDAARM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000261923625 203153204 /nfs/dbraw/zinc/15/32/04/203153204.db2.gz JJRZANADEHCVAI-ZDUSSCGKSA-N -1 0 320.345 1.399 50 0 DDAARM CC[C@@](NC(=O)c1ccc(OC)nn1)(C(=O)[O-])c1ccccc1 ZINC000262399789 203283161 /nfs/dbraw/zinc/28/31/61/203283161.db2.gz JVOPWAQXJHVXMI-INIZCTEOSA-N -1 0 315.329 1.605 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCCCC1)c1c[nH]c2ccccc12 ZINC000016578215 182049923 /nfs/dbraw/zinc/04/99/23/182049923.db2.gz RDENAYXSQAWGMC-UHFFFAOYSA-N -1 0 307.375 1.628 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1OC ZINC000019962519 182170683 /nfs/dbraw/zinc/17/06/83/182170683.db2.gz JLRHGOPPXGCVCK-LLVKDONJSA-N -1 0 316.317 1.587 50 0 DDAARM O=C([O-])CCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020201033 182196742 /nfs/dbraw/zinc/19/67/42/182196742.db2.gz SKQRCIZXKPFTNX-VIFPVBQESA-N -1 0 310.737 1.284 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000238093892 304187384 /nfs/dbraw/zinc/18/73/84/304187384.db2.gz JPDVQBZGFWTLHD-CHWSQXEVSA-N -1 0 304.346 1.175 50 0 DDAARM Cc1cc(NC(=O)CCn2ccccc2=O)sc1C(=O)[O-] ZINC000037448802 182895366 /nfs/dbraw/zinc/89/53/66/182895366.db2.gz BJVLMKRXZPUJEC-UHFFFAOYSA-N -1 0 306.343 1.945 50 0 DDAARM COc1ccc(-c2ccc(CCC(=O)[N-]S(C)(=O)=O)o2)cc1 ZINC000040543877 183099395 /nfs/dbraw/zinc/09/93/95/183099395.db2.gz QZTBXYUSQOLFDJ-UHFFFAOYSA-N -1 0 323.370 1.964 50 0 DDAARM CN(C[C@H]1CCCO1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000104885744 194050000 /nfs/dbraw/zinc/05/00/00/194050000.db2.gz ZCHKRYHAMLKTFN-LLVKDONJSA-N -1 0 319.336 1.968 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000268964793 207128843 /nfs/dbraw/zinc/12/88/43/207128843.db2.gz CCLHIPDIJIYLOW-AWEZNQCLSA-N -1 0 300.314 1.607 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1cc2ccccc2o1 ZINC000269001398 207156342 /nfs/dbraw/zinc/15/63/42/207156342.db2.gz YTFPDKXEYDMLEB-GFUIURDCSA-N -1 0 301.298 1.758 50 0 DDAARM Cc1cccc(O[C@@H](C)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000269027606 207177272 /nfs/dbraw/zinc/17/72/72/207177272.db2.gz LCINRUZMKXFCRO-GXTWGEPZSA-N -1 0 307.346 1.464 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc3cnccc32)C1 ZINC000062132715 184207792 /nfs/dbraw/zinc/20/77/92/184207792.db2.gz FLUHWSHBOVFYNF-LLVKDONJSA-N -1 0 306.343 1.330 50 0 DDAARM COCCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000066152162 184393780 /nfs/dbraw/zinc/39/37/80/184393780.db2.gz SQZWPALYXNRYBE-GFCCVEGCSA-N -1 0 307.346 1.649 50 0 DDAARM Cc1cccc2c1nc(COCC(=O)[O-])n2-c1cnc(N)cn1 ZINC000067833403 184487272 /nfs/dbraw/zinc/48/72/72/184487272.db2.gz HSJUNVFEELEFCR-UHFFFAOYSA-N -1 0 313.317 1.307 50 0 DDAARM O=C([O-])C1(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000154915882 197005122 /nfs/dbraw/zinc/00/51/22/197005122.db2.gz OTZGEWPGEWFGMP-LLVKDONJSA-N -1 0 322.748 1.426 50 0 DDAARM CC(C)N1C[C@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CC1=O ZINC000236594505 257239849 /nfs/dbraw/zinc/23/98/49/257239849.db2.gz NOKRHQRCFWMJCH-QWHCGFSZSA-N -1 0 310.394 1.347 50 0 DDAARM CSCC[C@H](NC(=O)Cc1sc(C)nc1C)C(=O)[O-] ZINC000426500029 533651019 /nfs/dbraw/zinc/65/10/19/533651019.db2.gz CEYSSMAEVDMWNA-VIFPVBQESA-N -1 0 302.421 1.625 50 0 DDAARM Cc1ccccc1OCC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000000241293 406634528 /nfs/dbraw/zinc/63/45/28/406634528.db2.gz XALBEZBRGBWISM-UHFFFAOYSA-N -1 0 305.355 1.879 50 0 DDAARM COC(=O)c1ncc([O-])c2c1C(=O)N(Cc1ccccc1)C2=O ZINC000001383616 406665440 /nfs/dbraw/zinc/66/54/40/406665440.db2.gz HCGHWSHZVZYLRI-UHFFFAOYSA-N -1 0 312.281 1.370 50 0 DDAARM O=C([O-])CSCC(=O)Nc1ccnn1Cc1ccccc1 ZINC000006880629 406741504 /nfs/dbraw/zinc/74/15/04/406741504.db2.gz YPMBTTBBEBCBCV-UHFFFAOYSA-N -1 0 305.359 1.688 50 0 DDAARM O=c1oc2ccc(Br)cc2cc1P(=O)([O-])[O-] ZINC000004105027 406723363 /nfs/dbraw/zinc/72/33/63/406723363.db2.gz FEKBYBBBDLICGD-UHFFFAOYSA-N -1 0 305.020 1.359 50 0 DDAARM O=C(CCn1[n-]c(=O)ccc1=O)N[C@@H]1CCCc2ccccc21 ZINC000009058117 406803144 /nfs/dbraw/zinc/80/31/44/406803144.db2.gz PFPDPOVWDBBRQR-CQSZACIVSA-N -1 0 313.357 1.533 50 0 DDAARM C[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000009341804 406806459 /nfs/dbraw/zinc/80/64/59/406806459.db2.gz WPEAKTAHSBZMQO-VHSXEESVSA-N -1 0 300.355 1.223 50 0 DDAARM CC(C)(C(=O)Nc1cc(C(=O)[O-])ccc1F)S(C)(=O)=O ZINC000070127659 406808823 /nfs/dbraw/zinc/80/88/23/406808823.db2.gz RZGXHJBBEASWCA-UHFFFAOYSA-N -1 0 303.311 1.286 50 0 DDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000011615543 406828626 /nfs/dbraw/zinc/82/86/26/406828626.db2.gz DTEYJDCBYHPNNB-UHFFFAOYSA-N -1 0 306.343 1.962 50 0 DDAARM O=c1[n-]c(=O)c(SCCCOc2ccc(Cl)cc2)n[nH]1 ZINC000011905814 406832358 /nfs/dbraw/zinc/83/23/58/406832358.db2.gz FKWQJCVRRHIYJL-UHFFFAOYSA-N -1 0 313.766 1.673 50 0 DDAARM CCCCn1c(CCC(=O)[O-])nc2c1c(=O)[nH]c(=O)n2CCC ZINC000012504686 406847032 /nfs/dbraw/zinc/84/70/32/406847032.db2.gz AZSRKOPFSMYYEH-UHFFFAOYSA-N -1 0 322.365 1.114 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000013087570 406858307 /nfs/dbraw/zinc/85/83/07/406858307.db2.gz TYMJQTRJEPIIBQ-SNVBAGLBSA-N -1 0 305.302 1.593 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000013260844 406861474 /nfs/dbraw/zinc/86/14/74/406861474.db2.gz BFLLXCFAVVSCNQ-YVZNUBBCSA-N -1 0 301.342 1.958 50 0 DDAARM CCn1[n-]c(C(=O)NCc2ccccc2N2CCCC2)cc1=O ZINC000071911654 406866855 /nfs/dbraw/zinc/86/68/55/406866855.db2.gz QECDPRPMUFXIKW-UHFFFAOYSA-N -1 0 314.389 1.511 50 0 DDAARM CSc1ccc(Cl)c(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000014138981 406871114 /nfs/dbraw/zinc/87/11/14/406871114.db2.gz KAKTWTNMANCKIB-LHLIQPBNSA-N -1 0 303.767 1.626 50 0 DDAARM COc1c2c(cc([C@H]3ON=C(C(=O)[O-])[C@@H]3C)c1OC)OCO2 ZINC000035327397 406972054 /nfs/dbraw/zinc/97/20/54/406972054.db2.gz ITGBMRBTMORXHR-WKEGUHRASA-N -1 0 309.274 1.581 50 0 DDAARM COc1ccccc1-c1cc(C(=O)[N-]N2CN=NC2=S)no1 ZINC000030034965 406930657 /nfs/dbraw/zinc/93/06/57/406930657.db2.gz LTXSNWYVCPGKTR-UHFFFAOYSA-N -1 0 317.330 1.614 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1F ZINC000032586039 406949997 /nfs/dbraw/zinc/94/99/97/406949997.db2.gz DYGLJTVYJUTGCI-UHFFFAOYSA-N -1 0 324.333 1.734 50 0 DDAARM COc1cccc(CNC(=O)c2nsc(C(=O)[O-])c2N)c1 ZINC000033268047 406960425 /nfs/dbraw/zinc/96/04/25/406960425.db2.gz FAOMMUVDAIWHKH-UHFFFAOYSA-N -1 0 307.331 1.362 50 0 DDAARM COc1cccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)c1OC ZINC000033452414 406962160 /nfs/dbraw/zinc/96/21/60/406962160.db2.gz CJLJIHSLAZYFHR-VFNNOXKTSA-N -1 0 307.346 1.942 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000033451370 406962196 /nfs/dbraw/zinc/96/21/96/406962196.db2.gz SQFHPTZAPYMMNU-WAFBPQNNSA-N -1 0 305.330 1.793 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2cnc(C(=O)[O-])cn2)CC1 ZINC000040448485 407002998 /nfs/dbraw/zinc/00/29/98/407002998.db2.gz ANDWAJHNYJXSJC-UHFFFAOYSA-N -1 0 308.338 1.232 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)c(Br)c1 ZINC000061844907 407230476 /nfs/dbraw/zinc/23/04/76/407230476.db2.gz YNSWYOGIOFUGGK-UHFFFAOYSA-N -1 0 317.168 1.676 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1O ZINC000096427081 407263831 /nfs/dbraw/zinc/26/38/31/407263831.db2.gz IKVAJDACYMOAMP-UHFFFAOYSA-N -1 0 301.755 1.888 50 0 DDAARM CCOc1cc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)ccc1O ZINC000101347669 407309203 /nfs/dbraw/zinc/30/92/03/407309203.db2.gz GHJUSIXFJNHNQB-SNVBAGLBSA-N -1 0 302.290 1.366 50 0 DDAARM CCCc1cc(=O)n2nc(NC(=O)c3cccs3)[n-]c2n1 ZINC000101390469 407309741 /nfs/dbraw/zinc/30/97/41/407309741.db2.gz FTOUMKCHQMXAQP-UHFFFAOYSA-N -1 0 303.347 1.684 50 0 DDAARM CCOC(=O)c1c(CC)[n-]n2c1nc(-c1cccnc1)cc2=O ZINC000103647355 407343150 /nfs/dbraw/zinc/34/31/50/407343150.db2.gz NVDFJLMRYFROOM-UHFFFAOYSA-N -1 0 312.329 1.824 50 0 DDAARM Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)[nH]nc1-c1ccccc1 ZINC000257198232 407490603 /nfs/dbraw/zinc/49/06/03/407490603.db2.gz WVMFJMNBMNWIKW-GFCCVEGCSA-N -1 0 315.329 1.311 50 0 DDAARM COCc1cc(C(=O)[N-]S(=O)(=O)c2cccnc2)c(C)o1 ZINC000170621924 407458367 /nfs/dbraw/zinc/45/83/67/407458367.db2.gz WQMKBCFGNRJRAQ-UHFFFAOYSA-N -1 0 310.331 1.248 50 0 DDAARM Cc1nc(S(=O)(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c[nH]1 ZINC000170640760 407459956 /nfs/dbraw/zinc/45/99/56/407459956.db2.gz ZAMAWNVRDRLEPE-JTQLQIEISA-N -1 0 321.358 1.485 50 0 DDAARM CNC(=O)c1cnc(C=Cc2ccc(OC)c(Cl)c2)[nH]c1=O ZINC000221787334 407550039 /nfs/dbraw/zinc/55/00/39/407550039.db2.gz PMPUGXBCHBMZTL-XQRVVYSFSA-N -1 0 319.748 1.962 50 0 DDAARM Cn1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c2ccccc21 ZINC000262367048 407814242 /nfs/dbraw/zinc/81/42/42/407814242.db2.gz XDQPBSDOMYMCFO-LLVKDONJSA-N -1 0 302.330 1.494 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000238079463 407884670 /nfs/dbraw/zinc/88/46/70/407884670.db2.gz FCLAKONJBSSAQM-LBPRGKRZSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCO1 ZINC000238197154 407899585 /nfs/dbraw/zinc/89/95/85/407899585.db2.gz ZDEMQOFIHHLIEN-MCIONIFRSA-N -1 0 307.321 1.631 50 0 DDAARM C[C@H](c1ccncc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000239321990 407903944 /nfs/dbraw/zinc/90/39/44/407903944.db2.gz IZTDDJXWSQKAAY-PICPHLGASA-N -1 0 300.314 1.009 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000237279346 292452468 /nfs/dbraw/zinc/45/24/68/292452468.db2.gz KCRYFFKIJQMPKK-GHMZBOCLSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCO1 ZINC000262905379 407966834 /nfs/dbraw/zinc/96/68/34/407966834.db2.gz CAGXSBQCOFFKCZ-FOGDFJRCSA-N -1 0 311.284 1.380 50 0 DDAARM CN1Cc2ccccc2C[C@@H]1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000244673945 407931440 /nfs/dbraw/zinc/93/14/40/407931440.db2.gz HYOPEXBCWMWIOW-DAXOMENPSA-N -1 0 316.401 1.803 50 0 DDAARM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2nn(C)cc2Cl)C1 ZINC000263147881 408038442 /nfs/dbraw/zinc/03/84/42/408038442.db2.gz FDIJPMMBSNZYNR-IUCAKERBSA-N -1 0 314.773 1.326 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CCO1 ZINC000263073648 408019400 /nfs/dbraw/zinc/01/94/00/408019400.db2.gz ZZYUJAIRINUYBM-LBPRGKRZSA-N -1 0 320.276 1.005 50 0 DDAARM Cc1nc2ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cc2s1 ZINC000263087314 408021081 /nfs/dbraw/zinc/02/10/81/408021081.db2.gz MGBXFBXOVKWBCT-ZETCQYMHSA-N -1 0 314.388 1.698 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000136509064 408110401 /nfs/dbraw/zinc/11/04/01/408110401.db2.gz YNMPDINWVHFESK-OAHLLOKOSA-N -1 0 313.357 1.881 50 0 DDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccccn1 ZINC000178270247 408797440 /nfs/dbraw/zinc/79/74/40/408797440.db2.gz BGNJEESWVJVCGZ-LLVKDONJSA-N -1 0 300.318 1.122 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)cc3cccnc32)CCO1 ZINC000178281219 408798497 /nfs/dbraw/zinc/79/84/97/408798497.db2.gz GMKDAYPNJVQZDB-LBPRGKRZSA-N -1 0 320.732 1.814 50 0 DDAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CC3)C2)c1 ZINC000241439955 222212328 /nfs/dbraw/zinc/21/23/28/222212328.db2.gz NNVBGKFRCXTWBH-HZSPNIEDSA-N -1 0 303.362 1.791 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000299749441 229393894 /nfs/dbraw/zinc/39/38/94/229393894.db2.gz KIMKHCUAXXXCNH-TUAOUCFPSA-N -1 0 303.314 1.800 50 0 DDAARM CCC[C@H](CNC(=O)Cc1cccc(NC(C)=O)c1)C(=O)[O-] ZINC000425253065 420329290 /nfs/dbraw/zinc/32/92/90/420329290.db2.gz JNIQVZQYLLLWCH-CYBMUJFWSA-N -1 0 306.362 1.805 50 0 DDAARM COc1ccc(C(=O)N[C@H](CCSC)C(=O)[O-])cc1OC ZINC000002833063 262526409 /nfs/dbraw/zinc/52/64/09/262526409.db2.gz CQRHVMIOQLYZOA-SNVBAGLBSA-N -1 0 313.375 1.640 50 0 DDAARM CC(C)c1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])no1 ZINC000655596524 424586886 /nfs/dbraw/zinc/58/68/86/424586886.db2.gz GCSJJMVDMPGBOQ-GFCCVEGCSA-N -1 0 303.318 1.619 50 0 DDAARM Cn1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)n1 ZINC000102830161 274895796 /nfs/dbraw/zinc/89/57/96/274895796.db2.gz HGMWLKPPDBUOBN-UHFFFAOYSA-N -1 0 315.358 1.208 50 0 DDAARM O=C([N-]N1C(=O)c2cccc3cccc(c32)C1=O)c1cc[nH]n1 ZINC000009358301 279871243 /nfs/dbraw/zinc/87/12/43/279871243.db2.gz NULMNAYKUZEVJG-UHFFFAOYSA-N -1 0 306.281 1.504 50 0 DDAARM CCn1nc(C)cc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000096427368 288757452 /nfs/dbraw/zinc/75/74/52/288757452.db2.gz NFKDFEPLOAXFEK-HNNXBMFYSA-N -1 0 313.357 1.863 50 0 DDAARM COc1cc(/C=C\C(=O)N(C)[C@@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000492214478 294911179 /nfs/dbraw/zinc/91/11/79/294911179.db2.gz OFWICGVKALEMDY-LWTINBJPSA-N -1 0 321.329 1.411 50 0 DDAARM CCOc1cccc2c1OCC(C(=O)N(C)CCC(=O)[O-])=C2 ZINC000362587096 300102323 /nfs/dbraw/zinc/10/23/23/300102323.db2.gz CGLWKSJZFMOYPS-UHFFFAOYSA-N -1 0 305.330 1.794 50 0 DDAARM Cc1cc(C)c2c(n[nH]c2NC(=O)c2nccnc2C(=O)[O-])n1 ZINC000071288035 301207491 /nfs/dbraw/zinc/20/74/91/301207491.db2.gz ZJCQDJOMPDNGOG-UHFFFAOYSA-N -1 0 312.289 1.315 50 0 DDAARM Cn1cc(S(=O)(=O)N2CCC[C@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC000230235469 302917726 /nfs/dbraw/zinc/91/77/26/302917726.db2.gz DZGICVFIHJJRTA-ZYHUDNBSSA-N -1 0 312.391 1.677 50 0 DDAARM CNC(=O)c1ccc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)cn1 ZINC000529705022 303145685 /nfs/dbraw/zinc/14/56/85/303145685.db2.gz WDWATSTUNLYBGZ-UHFFFAOYSA-N -1 0 317.374 1.018 50 0 DDAARM Cc1noc(COCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000299750365 534418192 /nfs/dbraw/zinc/41/81/92/534418192.db2.gz NGWBUPCZMMDSAQ-SRVKXCTJSA-N -1 0 323.349 1.139 50 0 DDAARM O=C([O-])CN(C(=O)[C@@H]1CCOc2ccccc21)C1CCOCC1 ZINC000299750521 534498695 /nfs/dbraw/zinc/49/86/95/534498695.db2.gz NQOSVUNKEUBLCD-CQSZACIVSA-N -1 0 319.357 1.645 50 0 DDAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)c3cscn3)C2)n1 ZINC000426615601 534509542 /nfs/dbraw/zinc/50/95/42/534509542.db2.gz VTCDBBSLKINBNQ-SNVBAGLBSA-N -1 0 320.374 1.444 50 0 DDAARM CC(C)(NC(=O)CCc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000299748871 527267619 /nfs/dbraw/zinc/26/76/19/527267619.db2.gz IMWVPJLSSJLBQO-UHFFFAOYSA-N -1 0 307.346 1.760 50 0 DDAARM CCOc1ccc2c(c1)C[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)CO2 ZINC000299743109 528619760 /nfs/dbraw/zinc/61/97/60/528619760.db2.gz LVOJEXXRNVAFHH-DGCLKSJQSA-N -1 0 319.357 1.570 50 0 DDAARM CCOC(=O)[C@](O)(c1ccc(CCC(=O)[O-])o1)C(F)(F)F ZINC000034133949 696127399 /nfs/dbraw/zinc/12/73/99/696127399.db2.gz XWUJGIGFFHKIBW-LLVKDONJSA-N -1 0 310.224 1.610 50 0 DDAARM CCS(=O)(=O)N1CCC[C@@H](C(=O)[N-]Oc2ccccc2)C1 ZINC000854537882 704413996 /nfs/dbraw/zinc/41/39/96/704413996.db2.gz BRBQSCQYSJHNGP-GFCCVEGCSA-N -1 0 312.391 1.158 50 0 DDAARM O=S(=O)(c1cc(F)ccc1[O-])N1CC[C@]2(CCOC2)C1 ZINC000952992697 721533901 /nfs/dbraw/zinc/53/39/01/721533901.db2.gz RHVZVFAIODGWRW-ZDUSSCGKSA-N -1 0 301.339 1.332 50 0 DDAARM O=C([N-]Cc1cnc(Br)cn1)C(F)(F)C(F)F ZINC000585087604 771936944 /nfs/dbraw/zinc/93/69/44/771936944.db2.gz QZBPVEWAYACHSR-UHFFFAOYSA-N -1 0 316.052 1.756 50 0 DDAARM CC(C)(CO)O[N-]C(=O)Cc1csc(-c2ccccn2)n1 ZINC000585087588 771937053 /nfs/dbraw/zinc/93/70/53/771937053.db2.gz QCRHNUYQCGQONI-UHFFFAOYSA-N -1 0 307.375 1.566 50 0 DDAARM CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(Nc2cnn(C)c2)c1 ZINC000952853106 775579167 /nfs/dbraw/zinc/57/91/67/775579167.db2.gz IPNVLZAMLMRJTF-HNNXBMFYSA-N -1 0 318.333 1.592 50 0 DDAARM COc1cc[nH]c(=NNC(=O)[C@@H]2C[C@H]2c2ccccc2F)n1 ZINC000073545963 539033528 /nfs/dbraw/zinc/03/35/28/539033528.db2.gz ICRMYEXSBXZTEX-WDEREUQCSA-N -1 0 302.309 1.871 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263282202 539276065 /nfs/dbraw/zinc/27/60/65/539276065.db2.gz XMXQXPPCTNTSAM-NWDGAFQWSA-N -1 0 307.346 1.786 50 0 DDAARM Cc1nc(-c2ccncc2)nc(NC[C@](C)(O)C(=O)[O-])c1C ZINC000263546558 539276201 /nfs/dbraw/zinc/27/62/01/539276201.db2.gz HJIRGAFXBQWAPJ-HNNXBMFYSA-N -1 0 302.334 1.403 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000299749040 529872536 /nfs/dbraw/zinc/87/25/36/529872536.db2.gz IYFGABKOGOETGI-UHFFFAOYSA-N -1 0 304.346 1.356 50 0 DDAARM Cc1ncsc1C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000121555659 185816392 /nfs/dbraw/zinc/81/63/92/185816392.db2.gz SRCSHWYHQZLDAE-VIFPVBQESA-N -1 0 304.393 1.080 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nnc2ccccc21 ZINC000072230671 191078113 /nfs/dbraw/zinc/07/81/13/191078113.db2.gz QXQCDLXURJUKKR-AWEZNQCLSA-N -1 0 324.340 1.243 50 0 DDAARM Cc1cc(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)no1 ZINC000262883510 186318255 /nfs/dbraw/zinc/31/82/55/186318255.db2.gz BWQDQDDWGKWRCK-AWEZNQCLSA-N -1 0 306.293 1.915 50 0 DDAARM C[C@H](NC(=O)COc1ccc(Br)cc1)C(=O)[O-] ZINC000000114207 180696811 /nfs/dbraw/zinc/69/68/11/180696811.db2.gz MAJFQXLXQDSVCT-ZETCQYMHSA-N -1 0 302.124 1.417 50 0 DDAARM NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000197540 180722237 /nfs/dbraw/zinc/72/22/37/180722237.db2.gz IYDVPRRWOHHTSF-UHFFFAOYSA-N -1 0 320.326 1.285 50 0 DDAARM O=C([O-])C1(C(=O)N2CCO[C@@]3(CCc4ccccc43)C2)CC1 ZINC000154996032 304027678 /nfs/dbraw/zinc/02/76/78/304027678.db2.gz BUCOSXQBDRYNHY-KRWDZBQOSA-N -1 0 301.342 1.552 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)[O-] ZINC000003366376 181012316 /nfs/dbraw/zinc/01/23/16/181012316.db2.gz BUZREBMUVLYWFH-LLVKDONJSA-N -1 0 317.432 1.788 50 0 DDAARM C[C@H]1C[C@H](C)CN(Cc2csc([N-]S(C)(=O)=O)n2)C1 ZINC000195568211 354297907 /nfs/dbraw/zinc/29/79/07/354297907.db2.gz QWBCHKULMRBINZ-UWVGGRQHSA-N -1 0 303.453 1.993 50 0 DDAARM O=C([O-])COc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000004809225 181154918 /nfs/dbraw/zinc/15/49/18/181154918.db2.gz RGQKSDBREYJDKS-UHFFFAOYSA-N -1 0 307.327 1.951 50 0 DDAARM CCOC(=O)c1c(C)nc(=O)[nH]c1S[C@@H](CC)C(=O)[O-] ZINC000005251656 181222389 /nfs/dbraw/zinc/22/23/89/181222389.db2.gz SOICTTLVILTTID-ZETCQYMHSA-N -1 0 300.336 1.210 50 0 DDAARM CN(CCCOc1ccccc1)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237109710 202155259 /nfs/dbraw/zinc/15/52/59/202155259.db2.gz QUOYDIBAQZUYGG-OAHLLOKOSA-N -1 0 320.389 1.463 50 0 DDAARM CN(CC(=O)[O-])C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000237159460 202170448 /nfs/dbraw/zinc/17/04/48/202170448.db2.gz DSVYCBKTOHCOQY-RMKNXTFCSA-N -1 0 302.330 1.370 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccnc2OCC(F)(F)F)C1 ZINC000178269358 198840681 /nfs/dbraw/zinc/84/06/81/198840681.db2.gz OSQAKVUNMAZJQJ-MRVPVSSYSA-N -1 0 318.251 1.569 50 0 DDAARM Cc1ccc(-c2ocnc2C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000237697818 202330756 /nfs/dbraw/zinc/33/07/56/202330756.db2.gz GMCNBTCAASEOPS-LBPRGKRZSA-N -1 0 316.313 1.576 50 0 DDAARM O=C([O-])CCNC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000238199509 202450163 /nfs/dbraw/zinc/45/01/63/202450163.db2.gz GYIKDCVXRMLTIY-UHFFFAOYSA-N -1 0 317.320 1.705 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)c1ccncc1Br ZINC000190699448 200576071 /nfs/dbraw/zinc/57/60/71/200576071.db2.gz WARSHOOOIASJDN-UHFFFAOYSA-N -1 0 301.140 1.781 50 0 DDAARM O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)CCCn2cncn2)C1 ZINC000091536821 193070896 /nfs/dbraw/zinc/07/08/96/193070896.db2.gz HKIFDOGXJVFGFO-INIZCTEOSA-N -1 0 320.393 1.552 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC[C@@H](O)CC2)C[C@H]1c1cccnc1 ZINC000244673997 304131663 /nfs/dbraw/zinc/13/16/63/304131663.db2.gz HZMLLQSPDICEBH-PMOUVXMZSA-N -1 0 318.373 1.259 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)COCC(F)(F)F ZINC000299745458 304148617 /nfs/dbraw/zinc/14/86/17/304148617.db2.gz ZFRJOQNNPZPRJL-BBBLOLIVSA-N -1 0 309.284 1.810 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1 ZINC000262250099 203241834 /nfs/dbraw/zinc/24/18/34/203241834.db2.gz BTJIZXZABMONLE-UHFFFAOYSA-N -1 0 316.357 1.612 50 0 DDAARM C[C@]1(NC(=O)c2ccc3n[nH]nc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000262707370 203387508 /nfs/dbraw/zinc/38/75/08/203387508.db2.gz BULGUNHYUNELAE-BMIGLBTASA-N -1 0 302.334 1.721 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000262713218 203390673 /nfs/dbraw/zinc/39/06/73/203390673.db2.gz QJBUHNFFMOOXIB-ZDUSSCGKSA-N -1 0 303.293 1.701 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2cccc([C@H]3CCOC3)c2)n1 ZINC000263356170 203459236 /nfs/dbraw/zinc/45/92/36/203459236.db2.gz RRZRTQVMJIODSM-ZDUSSCGKSA-N -1 0 315.329 1.724 50 0 DDAARM Cc1cc(O)ccc1NC(=O)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000010186481 181660153 /nfs/dbraw/zinc/66/01/53/181660153.db2.gz SJMVFRNAOMHYAH-CQSZACIVSA-N -1 0 318.329 1.865 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(OC(F)F)cc2)n1 ZINC000020616072 182239604 /nfs/dbraw/zinc/23/96/04/182239604.db2.gz KORGACXNSWBEIA-UHFFFAOYSA-N -1 0 311.244 1.972 50 0 DDAARM COc1ccccc1-c1nc(CC(=O)N[C@@H](C)C(=O)[O-])cs1 ZINC000020724257 182243633 /nfs/dbraw/zinc/24/36/33/182243633.db2.gz HASCIVJRYLFTOI-VIFPVBQESA-N -1 0 320.370 1.951 50 0 DDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)n[nH]1 ZINC000021096424 182265310 /nfs/dbraw/zinc/26/53/10/182265310.db2.gz UYIANZVIAAIHEF-UHFFFAOYSA-N -1 0 313.310 1.526 50 0 DDAARM CCn1c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2oc1=O ZINC000021932390 182298581 /nfs/dbraw/zinc/29/85/81/182298581.db2.gz CCTRJVRSNMEELK-UHFFFAOYSA-N -1 0 308.319 1.138 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC000238130993 248572708 /nfs/dbraw/zinc/57/27/08/248572708.db2.gz ZSBUVCIOCAOBQP-LLVKDONJSA-N -1 0 318.354 1.736 50 0 DDAARM O=C([O-])Cn1ccc2c(cnc3c(-c4ccccc4)cnn32)c1=O ZINC000040387716 183060215 /nfs/dbraw/zinc/06/02/15/183060215.db2.gz REOKDENTBLGCRG-UHFFFAOYSA-N -1 0 320.308 1.796 50 0 DDAARM COc1ccc(Cl)cc1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043701128 183382111 /nfs/dbraw/zinc/38/21/11/183382111.db2.gz HTXRUWFHANKTDG-LBPRGKRZSA-N -1 0 313.737 1.203 50 0 DDAARM O=C([O-])c1ccccc1S(=O)(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000043425792 183361685 /nfs/dbraw/zinc/36/16/85/183361685.db2.gz BGYCSMRIZYQNLV-NWDGAFQWSA-N -1 0 311.359 1.327 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2ccc(Br)o2)CCSC1 ZINC000043503511 304214143 /nfs/dbraw/zinc/21/41/43/304214143.db2.gz LYDSADAFGZJUOE-JTQLQIEISA-N -1 0 320.164 1.732 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000268974690 207137755 /nfs/dbraw/zinc/13/77/55/207137755.db2.gz JFRWTDZWYLLFOW-UKRRQHHQSA-N -1 0 303.358 1.809 50 0 DDAARM Cc1cccc2c(CCC(=O)N3CCOC[C@H]3C(=O)[O-])c[nH]c21 ZINC000268995071 207152482 /nfs/dbraw/zinc/15/24/82/207152482.db2.gz VGJCKPWFWCGJJG-AWEZNQCLSA-N -1 0 316.357 1.721 50 0 DDAARM CCn1cc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000269000070 207156445 /nfs/dbraw/zinc/15/64/45/207156445.db2.gz XZJXWCQYUITDFQ-OAHLLOKOSA-N -1 0 316.357 1.516 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000062132497 184207856 /nfs/dbraw/zinc/20/78/56/184207856.db2.gz QLMZPDUZCURCQR-VIFPVBQESA-N -1 0 303.767 1.744 50 0 DDAARM Cn1c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2n(C)c1=O ZINC000064611608 184301476 /nfs/dbraw/zinc/30/14/76/184301476.db2.gz NIOJTJRMHOFFIX-UHFFFAOYSA-N -1 0 319.361 1.707 50 0 DDAARM Cc1nnc(-c2cc(N3C[C@@H](C(=O)[O-])CC3=O)ccc2O)o1 ZINC000065386010 184333436 /nfs/dbraw/zinc/33/34/36/184333436.db2.gz XZUOKZNOLBJCTP-QMMMGPOBSA-N -1 0 303.274 1.188 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)CSc1ccccn1)C(=O)[O-] ZINC000067688748 184479550 /nfs/dbraw/zinc/47/95/50/184479550.db2.gz BLOAOANMHSYHOD-CYBMUJFWSA-N -1 0 320.374 1.456 50 0 DDAARM Cc1nc2ccccc2cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000178280569 257239706 /nfs/dbraw/zinc/23/97/06/257239706.db2.gz ATPLGAXBZIEVOM-CQSZACIVSA-N -1 0 300.314 1.469 50 0 DDAARM CC(C)(C)c1ncc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000236635706 257239760 /nfs/dbraw/zinc/23/97/60/257239760.db2.gz FXTGSDGFZGLXJS-SGUJLRQBSA-N -1 0 324.402 1.766 50 0 DDAARM CCCN1C(=O)C(=Cc2ccccc2OCC(=O)[O-])NC1=S ZINC000104991184 221501023 /nfs/dbraw/zinc/50/10/23/221501023.db2.gz IIVXVCCPXXSUIA-FLIBITNWSA-N -1 0 320.370 1.618 50 0 DDAARM COC(=O)c1ccc(C(=O)[O-])cc1I ZINC000012957447 292008589 /nfs/dbraw/zinc/00/85/89/292008589.db2.gz AGYGRJJIWDNTLI-UHFFFAOYSA-N -1 0 306.055 1.776 50 0 DDAARM COC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000000132877 406622999 /nfs/dbraw/zinc/62/29/99/406622999.db2.gz SZALUCGSTRXUKW-LBPRGKRZSA-N -1 0 314.301 1.438 50 0 DDAARM O=C([O-])c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 ZINC000000620727 406658708 /nfs/dbraw/zinc/65/87/08/406658708.db2.gz IIDVFIODDVOIGB-UHFFFAOYSA-N -1 0 312.281 1.931 50 0 DDAARM C[C@H](NC(=O)N1CCN(/C=C/c2ccccc2)CC1)C(=O)[O-] ZINC000002411746 406687310 /nfs/dbraw/zinc/68/73/10/406687310.db2.gz VHHVAVARDRAVAG-GWJCSSMESA-N -1 0 303.362 1.458 50 0 DDAARM O=C([N-]C1(C(Cl)(Cl)Cl)OCCO1)C(F)(F)F ZINC000003098942 406710608 /nfs/dbraw/zinc/71/06/08/406710608.db2.gz MIEIKKUHNWFXTB-UHFFFAOYSA-N -1 0 302.463 1.736 50 0 DDAARM Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c(C)s1 ZINC000069515316 406725645 /nfs/dbraw/zinc/72/56/45/406725645.db2.gz JXMIGEQKKFPFCF-UHFFFAOYSA-N -1 0 300.365 1.139 50 0 DDAARM Cn1c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2n(C)c1=O ZINC000011615509 406828856 /nfs/dbraw/zinc/82/88/56/406828856.db2.gz XRLWMVOYLPHOAP-UHFFFAOYSA-N -1 0 318.358 1.073 50 0 DDAARM Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n(-c2ccccn2)n1 ZINC000071281495 406836246 /nfs/dbraw/zinc/83/62/46/406836246.db2.gz MDIOIPVYVXCQTM-STQMWFEESA-N -1 0 314.345 1.871 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc2c1OCO2 ZINC000071857650 406854142 /nfs/dbraw/zinc/85/41/42/406854142.db2.gz WZDUXNFJYRRVLC-BXUZGUMPSA-N -1 0 321.329 1.426 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000013260536 406859711 /nfs/dbraw/zinc/85/97/11/406859711.db2.gz QBLFPYGLLAYREU-ZDUSSCGKSA-N -1 0 316.357 1.750 50 0 DDAARM Cc1nn(C)c2sc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc12 ZINC000013260845 406860652 /nfs/dbraw/zinc/86/06/52/406860652.db2.gz NPXLPEIZNNOAQL-SECBINFHSA-N -1 0 307.375 1.880 50 0 DDAARM Cn1cc(C(=O)[O-])c2[nH]c(=O)n(-c3ccc(Cl)cc3)c(=O)c21 ZINC000026422062 406904861 /nfs/dbraw/zinc/90/48/61/406904861.db2.gz HYUAXJCXILUGBV-UHFFFAOYSA-N -1 0 319.704 1.781 50 0 DDAARM COc1ccc(OC)c(-c2cc(C(=O)N[C@H](C)C(=O)[O-])no2)c1 ZINC000035989504 406975762 /nfs/dbraw/zinc/97/57/62/406975762.db2.gz KAMMYRIIOOWZOP-MRVPVSSYSA-N -1 0 320.301 1.562 50 0 DDAARM O=C1C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2F)CN1C1CC1 ZINC000075161560 406925796 /nfs/dbraw/zinc/92/57/96/406925796.db2.gz XYRHMSRPNQVXAW-MRVPVSSYSA-N -1 0 316.329 1.006 50 0 DDAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2c(C)cccc2C(N)=O)c1 ZINC000078698599 407041577 /nfs/dbraw/zinc/04/15/77/407041577.db2.gz RQRZFTNACDGLMT-UHFFFAOYSA-N -1 0 320.370 1.909 50 0 DDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000036974173 406984999 /nfs/dbraw/zinc/98/49/99/406984999.db2.gz XPEQJEYAGSLTKT-LBPRGKRZSA-N -1 0 311.359 1.088 50 0 DDAARM CC[C@@H](COC)NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000095940686 407214966 /nfs/dbraw/zinc/21/49/66/407214966.db2.gz OTJCJCKXUIPRMT-JTQLQIEISA-N -1 0 305.327 1.227 50 0 DDAARM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000095970470 407218428 /nfs/dbraw/zinc/21/84/28/407218428.db2.gz GBUJOSVKZBRJJK-VXGBXAGGSA-N -1 0 304.346 1.219 50 0 DDAARM O=C([O-])C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1)C1CC1 ZINC000095970322 407218619 /nfs/dbraw/zinc/21/86/19/407218619.db2.gz QEEWIIPMUFRHQE-ZDUSSCGKSA-N -1 0 317.320 1.995 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2cccc(C)c2)c(OC)n1 ZINC000096121362 407238683 /nfs/dbraw/zinc/23/86/83/407238683.db2.gz BFVLNIBSBHIWET-UHFFFAOYSA-N -1 0 309.347 1.603 50 0 DDAARM CCOCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102365662 407322123 /nfs/dbraw/zinc/32/21/23/407322123.db2.gz BTUCJMABGLFLKI-UHFFFAOYSA-N -1 0 321.402 1.379 50 0 DDAARM CC(C)NC(=O)C[C@@H](C)NC(=O)c1c([O-])cc(F)cc1F ZINC000096440997 407266394 /nfs/dbraw/zinc/26/63/94/407266394.db2.gz DYEPJWPVHYYNCO-MRVPVSSYSA-N -1 0 300.305 1.703 50 0 DDAARM CCn1c(C)nnc1S([O-])=CC(=O)NCc1ccccc1C ZINC000096450249 407268658 /nfs/dbraw/zinc/26/86/58/407268658.db2.gz FDSIEVYAGABSIU-JOCHJYFZSA-N -1 0 320.418 1.339 50 0 DDAARM CCc1nc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)COC3)co1 ZINC000127485837 407438290 /nfs/dbraw/zinc/43/82/90/407438290.db2.gz MSKJIXGERWOVHU-UHFFFAOYSA-N -1 0 322.342 1.386 50 0 DDAARM CC1(C)C(=O)NCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647574 407463473 /nfs/dbraw/zinc/46/34/73/407463473.db2.gz GNORKCRJZMQNSO-UHFFFAOYSA-N -1 0 305.359 1.467 50 0 DDAARM COCCS(=O)(=O)[N-]CC(F)(F)c1ccc(Cl)cc1 ZINC000253419032 407445119 /nfs/dbraw/zinc/44/51/19/407445119.db2.gz OKTCDCFSODNYAJ-UHFFFAOYSA-N -1 0 313.753 1.998 50 0 DDAARM CCC[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000170592170 407445359 /nfs/dbraw/zinc/44/53/59/407445359.db2.gz BXUAJSHFIDIJLH-KGLIPLIRSA-N -1 0 324.421 1.927 50 0 DDAARM CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccco3)cc21 ZINC000253426034 407446467 /nfs/dbraw/zinc/44/64/67/407446467.db2.gz FLCPEOIRRQCRHQ-UHFFFAOYSA-N -1 0 308.315 1.436 50 0 DDAARM O=C([N-]S(=O)(=O)CCCF)[C@@H]1CSc2ccccc21 ZINC000225440778 407584805 /nfs/dbraw/zinc/58/48/05/407584805.db2.gz YIICDORTPMQXEQ-SNVBAGLBSA-N -1 0 303.380 1.682 50 0 DDAARM CC(C)(NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)[O-] ZINC000236658600 407741669 /nfs/dbraw/zinc/74/16/69/407741669.db2.gz BJUCIVAOPODWQC-UHFFFAOYSA-N -1 0 309.347 1.710 50 0 DDAARM O=C(c1c([O-])cccc1F)N1CCC[C@H](Cn2cncn2)C1 ZINC000186849757 407785593 /nfs/dbraw/zinc/78/55/93/407785593.db2.gz GIVUSTQVLMZBEG-NSHDSACASA-N -1 0 304.325 1.675 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC000238038820 407874585 /nfs/dbraw/zinc/87/45/85/407874585.db2.gz WRDIHNIDJUNKGL-NSHDSACASA-N -1 0 301.298 1.872 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)c1 ZINC000238203988 407899556 /nfs/dbraw/zinc/89/95/56/407899556.db2.gz PFJASFBEPQTUJP-OAHLLOKOSA-N -1 0 324.336 1.698 50 0 DDAARM Cc1nc(C2CC2)oc1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262829702 407950894 /nfs/dbraw/zinc/95/08/94/407950894.db2.gz XIQBHVIQTBUXHB-UHFFFAOYSA-N -1 0 307.331 1.945 50 0 DDAARM CN(CC(=O)NC1(C(=O)[O-])CCCC1)Cc1ccccc1F ZINC000243893328 407922149 /nfs/dbraw/zinc/92/21/49/407922149.db2.gz APWGRCXNGGMLJC-UHFFFAOYSA-N -1 0 308.353 1.771 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cncnc2C)(C(=O)[O-])C1(C)C ZINC000262796966 407936452 /nfs/dbraw/zinc/93/64/52/407936452.db2.gz LWPRGBYAIHBUEA-ABAIWWIYSA-N -1 0 307.350 1.173 50 0 DDAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000263005742 407998268 /nfs/dbraw/zinc/99/82/68/407998268.db2.gz QLDGAEIGHUYDRL-UFBFGSQYSA-N -1 0 315.272 1.044 50 0 DDAARM COc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])ccc1Cl ZINC000263304357 408098223 /nfs/dbraw/zinc/09/82/23/408098223.db2.gz OCVPQWCEYHLIFP-SNVBAGLBSA-N -1 0 313.737 1.664 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cnn(C)c1 ZINC000263353093 408116099 /nfs/dbraw/zinc/11/60/99/408116099.db2.gz QMSXBNCBDUYPSO-UHFFFAOYSA-N -1 0 303.318 1.099 50 0 DDAARM Cc1cc(C)c(S(=O)(=O)[N-]C(=O)c2cnsn2)cc1C ZINC000162253635 408682211 /nfs/dbraw/zinc/68/22/11/408682211.db2.gz IXMCUXZDRRFQGI-UHFFFAOYSA-N -1 0 311.388 1.582 50 0 DDAARM Cc1ccccc1CS(=O)(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000134032619 196355542 /nfs/dbraw/zinc/35/55/42/196355542.db2.gz DKULFOHNLFPEMS-LLVKDONJSA-N -1 0 309.395 1.073 50 0 DDAARM Cn1cccc1C(=O)N1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426493148 419487958 /nfs/dbraw/zinc/48/79/58/419487958.db2.gz IUGAKGFNDGOYMP-LBPRGKRZSA-N -1 0 316.361 1.326 50 0 DDAARM CN(CC1CCOCC1)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000426380123 419453744 /nfs/dbraw/zinc/45/37/44/419453744.db2.gz OWFQHTYWZHOWHX-CQSZACIVSA-N -1 0 322.361 1.586 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000426701385 419533691 /nfs/dbraw/zinc/53/36/91/419533691.db2.gz IKHSFSNMZGTQSS-UHFFFAOYSA-N -1 0 302.309 1.508 50 0 DDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccn3cnnc23)C1 ZINC000426551415 419505631 /nfs/dbraw/zinc/50/56/31/419505631.db2.gz ZPMVOEVJPQBIIQ-HNNXBMFYSA-N -1 0 302.334 1.446 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2cccc3cccnc23)CCO1 ZINC000606442179 422459551 /nfs/dbraw/zinc/45/95/51/422459551.db2.gz YCKRNZXLFFPNOW-LMVHVUTASA-N -1 0 312.325 1.560 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C1 ZINC000316446455 271018740 /nfs/dbraw/zinc/01/87/40/271018740.db2.gz SCVPHKNJMKIBOV-OICCZTGUSA-N -1 0 303.314 1.752 50 0 DDAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCC3(CC2)OCCO3)C1 ZINC000006698960 281664138 /nfs/dbraw/zinc/66/41/38/281664138.db2.gz XXBQGGRUDNJBIH-KGLIPLIRSA-N -1 0 323.389 1.799 50 0 DDAARM COc1cc(/C=C/C(=O)N(C)[C@@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000492214481 294909599 /nfs/dbraw/zinc/90/95/99/294909599.db2.gz OFWICGVKALEMDY-YEZKRMTDSA-N -1 0 321.329 1.411 50 0 DDAARM COc1ncccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000261644810 295464635 /nfs/dbraw/zinc/46/46/35/295464635.db2.gz JBDMPUGISGWRAI-UHTWSYAYSA-N -1 0 304.346 1.948 50 0 DDAARM Cn1nc(C(=O)Nc2ccccc2C(=O)[O-])c2ccccc2c1=O ZINC000008266978 303043085 /nfs/dbraw/zinc/04/30/85/303043085.db2.gz KQIZTBCLJVBODD-UHFFFAOYSA-N -1 0 323.308 1.884 50 0 DDAARM O=C(N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O)C1CC1 ZINC000005210040 303928043 /nfs/dbraw/zinc/92/80/43/303928043.db2.gz LCBHEFMUCNBQRV-CYBMUJFWSA-N -1 0 324.262 1.887 50 0 DDAARM Cc1c(C(=O)N(C)CCC(=O)[O-])cccc1N1CCNC1=O ZINC000299750953 533734981 /nfs/dbraw/zinc/73/49/81/533734981.db2.gz OWIPHXJIKRMWPM-UHFFFAOYSA-N -1 0 305.334 1.071 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)NC(=O)CO3)CCCC1 ZINC000299741243 534484828 /nfs/dbraw/zinc/48/48/28/534484828.db2.gz FCFFSBNCGWACFQ-UHFFFAOYSA-N -1 0 304.302 1.145 50 0 DDAARM O=C([O-])[C@H](NC(=O)[C@H](O)C1CCCCC1)c1ccc(O)cc1 ZINC000426634006 534529921 /nfs/dbraw/zinc/52/99/21/534529921.db2.gz RIYVWHIMXCEONL-ZIAGYGMSSA-N -1 0 307.346 1.575 50 0 DDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)(C)CC(=O)[O-] ZINC000084144806 600781433 /nfs/dbraw/zinc/78/14/33/600781433.db2.gz BWUNOUCMIAXIFI-UHFFFAOYSA-N -1 0 313.375 1.382 50 0 DDAARM O=C([O-])CN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(F)cc1 ZINC000089780948 696579483 /nfs/dbraw/zinc/57/94/83/696579483.db2.gz BYDGXPDQWNDJDL-LHRNQBEKSA-N -1 0 307.321 1.931 50 0 DDAARM Cc1nnc2n1C[C@H](C(=O)[O-])N(C(=O)OC1CCCCC1)C2 ZINC000952880164 775632646 /nfs/dbraw/zinc/63/26/46/775632646.db2.gz NIAAAIRWYXXPMI-LLVKDONJSA-N -1 0 308.338 1.325 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)Nc3ccc(F)cc32)CCCC1 ZINC000095500707 185374710 /nfs/dbraw/zinc/37/47/10/185374710.db2.gz HIBQDPXTAMKLCW-LLVKDONJSA-N -1 0 320.320 1.765 50 0 DDAARM CCCOc1ccc(Cl)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000079019745 185146900 /nfs/dbraw/zinc/14/69/00/185146900.db2.gz NJQLFZNMLHLEMZ-UHFFFAOYSA-N -1 0 310.741 1.470 50 0 DDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cnn3ccccc23)C1 ZINC000263088025 539275970 /nfs/dbraw/zinc/27/59/70/539275970.db2.gz QHAJYRPFMNZBEQ-WDEREUQCSA-N -1 0 303.318 1.039 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)CCc2cccs2)C[C@H]1C(=O)[O-] ZINC000263103143 539275985 /nfs/dbraw/zinc/27/59/85/539275985.db2.gz KDXBTVYLWUZFCH-MWLCHTKSSA-N -1 0 303.405 1.273 50 0 DDAARM CCNc1ncc(C(=O)NCc2ccc(C(=O)[O-])s2)cn1 ZINC000095390765 185351603 /nfs/dbraw/zinc/35/16/03/185351603.db2.gz DXGZOHLNIIYZFF-UHFFFAOYSA-N -1 0 306.347 1.598 50 0 DDAARM Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000095399190 185353680 /nfs/dbraw/zinc/35/36/80/185353680.db2.gz KBZBHWMYTDVFIN-NSHDSACASA-N -1 0 303.309 1.663 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)/C=C(\C)C(C)(C)C)C1 ZINC000685941029 539565582 /nfs/dbraw/zinc/56/55/82/539565582.db2.gz OIBZMZZZHTZCOC-IMNITIESSA-N -1 0 310.394 1.417 50 0 DDAARM Cc1ccc(C(=O)N2CCn3nc(CCC(=O)[O-])cc3C2)cc1 ZINC000072144237 191051845 /nfs/dbraw/zinc/05/18/45/191051845.db2.gz KAWQKHUFVRIZIW-UHFFFAOYSA-N -1 0 313.357 1.865 50 0 DDAARM O=C([N-]S(=O)(=O)CCOc1ccccc1)c1cncc(F)c1 ZINC000152423898 186071325 /nfs/dbraw/zinc/07/13/25/186071325.db2.gz SABDKVJGNQFZLO-UHFFFAOYSA-N -1 0 324.333 1.359 50 0 DDAARM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000152465380 186076252 /nfs/dbraw/zinc/07/62/52/186076252.db2.gz QZPJORJMQOZNJM-HQJQHLMTSA-N -1 0 312.416 1.959 50 0 DDAARM O=C([O-])c1nn(CC(F)F)cc1I ZINC000072339376 191125745 /nfs/dbraw/zinc/12/57/45/191125745.db2.gz NBDBAHQFYAYJOR-UHFFFAOYSA-N -1 0 302.018 1.451 50 0 DDAARM CC1(C)[C@H](C(=O)NCc2nc(-c3ccncc3)no2)[C@@H]1C(=O)[O-] ZINC000072401510 191150392 /nfs/dbraw/zinc/15/03/92/191150392.db2.gz KCTMLHKLEZHQRA-WDEREUQCSA-N -1 0 316.317 1.105 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)CCO1 ZINC000072433418 191164148 /nfs/dbraw/zinc/16/41/48/191164148.db2.gz ZTCPTABJCWBLOO-CQSZACIVSA-N -1 0 301.298 1.288 50 0 DDAARM COc1ccc(OC)c(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000072436429 191166328 /nfs/dbraw/zinc/16/63/28/191166328.db2.gz ORUTYHOZQZLXDP-GFCCVEGCSA-N -1 0 310.306 1.021 50 0 DDAARM CC(C)C[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000002133390 180911349 /nfs/dbraw/zinc/91/13/49/180911349.db2.gz FWCXVWNBMAPJFO-ZDUSSCGKSA-N -1 0 317.345 1.012 50 0 biogenic DDAARM O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)CCc1c[nH]c2ccccc12 ZINC000004090586 181071717 /nfs/dbraw/zinc/07/17/17/181071717.db2.gz ZRSLRYTUCRMAJR-FZMZJTMJSA-N -1 0 302.330 1.147 50 0 biogenic DDAARM COc1ccc2c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc2c1 ZINC000004061545 181067799 /nfs/dbraw/zinc/06/77/99/181067799.db2.gz LLEKBVVXGVUUND-VIFPVBQESA-N -1 0 319.313 1.242 50 0 biogenic DDAARM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000004660904 181133532 /nfs/dbraw/zinc/13/35/32/181133532.db2.gz JMQCQPWJIFZVEK-UHFFFAOYSA-N -1 0 323.326 1.900 50 0 DDAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1)[C@@H](O)c1ccccc1 ZINC000004677050 181135413 /nfs/dbraw/zinc/13/54/13/181135413.db2.gz RIQLMDXNQFFCCH-KBPBESRZSA-N -1 0 321.354 1.152 50 0 DDAARM COc1ccc(Cl)cc1N([C@H](C)C(=O)[O-])S(C)(=O)=O ZINC000004777328 181151142 /nfs/dbraw/zinc/15/11/42/181151142.db2.gz FJRHBYIPMKFRIW-SSDOTTSWSA-N -1 0 307.755 1.588 50 0 DDAARM O=C([O-])CCN1C(=O)N[C@]2(CCCCc3ccccc32)C1=O ZINC000012785618 304052800 /nfs/dbraw/zinc/05/28/00/304052800.db2.gz QASLOHVMVJDLSN-INIZCTEOSA-N -1 0 302.330 1.635 50 0 DDAARM C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-] ZINC000000226488 299249499 /nfs/dbraw/zinc/24/94/99/299249499.db2.gz OQUUHLBXFYAZAH-VIFPVBQESA-N -1 0 302.286 1.735 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000178274769 198840812 /nfs/dbraw/zinc/84/08/12/198840812.db2.gz MFUZIMGYPPVIQM-QMMMGPOBSA-N -1 0 321.283 1.902 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CSc3ccccc32)CCO1 ZINC000092238024 304077152 /nfs/dbraw/zinc/07/71/52/304077152.db2.gz YEJWEUMPRNWQRT-ZYHUDNBSSA-N -1 0 307.371 1.578 50 0 DDAARM Cc1cn(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c2ccccc12 ZINC000237784617 202353556 /nfs/dbraw/zinc/35/35/56/202353556.db2.gz FBSUSBTUZTUKEK-CYBMUJFWSA-N -1 0 316.357 1.652 50 0 DDAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc3n[nH]nc3c2)c1 ZINC000006093478 181312055 /nfs/dbraw/zinc/31/20/55/181312055.db2.gz JZHLQYJYUFAUKG-UHFFFAOYSA-N -1 0 318.314 1.457 50 0 DDAARM CCCN(Cc1n[nH]c(=O)[n-]1)C[C@H]1COc2ccccc2O1 ZINC000091538358 193070442 /nfs/dbraw/zinc/07/04/42/193070442.db2.gz RRBSKSHXRHCPTQ-NSHDSACASA-N -1 0 304.350 1.562 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cscn2)C1 ZINC000091563240 193073325 /nfs/dbraw/zinc/07/33/25/193073325.db2.gz XSPJESUHRKDMHT-AWEZNQCLSA-N -1 0 312.391 1.877 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCOCC2)C1 ZINC000091616438 193080019 /nfs/dbraw/zinc/08/00/19/193080019.db2.gz NQIXHOBLUILERV-HNNXBMFYSA-N -1 0 314.382 1.032 50 0 DDAARM CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](c2ccccn2)C1 ZINC000091997849 193139435 /nfs/dbraw/zinc/13/94/35/193139435.db2.gz YQFIKYCFXNTDSK-VXGBXAGGSA-N -1 0 312.391 1.312 50 0 DDAARM CCOCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000219284707 201552445 /nfs/dbraw/zinc/55/24/45/201552445.db2.gz LZBSORYCXFSNJF-ZIAGYGMSSA-N -1 0 323.345 1.074 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCCCO1 ZINC000176827013 304151909 /nfs/dbraw/zinc/15/19/09/304151909.db2.gz UEWCKXSPYNQQKE-GJZGRUSLSA-N -1 0 303.358 1.984 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CSC)cc1OC ZINC000013184025 181836987 /nfs/dbraw/zinc/83/69/87/181836987.db2.gz LQSRBCCZCLBEKH-SNVBAGLBSA-N -1 0 313.375 1.699 50 0 DDAARM COC(=O)Cc1c(C)nc2[n-]c(Cc3ccccc3)nn2c1=O ZINC000018219961 182099317 /nfs/dbraw/zinc/09/93/17/182099317.db2.gz FRIQXGXOWZEMTH-UHFFFAOYSA-N -1 0 312.329 1.032 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000021883837 182296137 /nfs/dbraw/zinc/29/61/37/182296137.db2.gz QTEYIKOWVRRJEG-UHFFFAOYSA-N -1 0 309.347 1.696 50 0 DDAARM CCCC1N=NC(=S)N1CC(=O)[N-]OCc1ccccc1 ZINC000025038625 182399840 /nfs/dbraw/zinc/39/98/40/182399840.db2.gz YRAMHBHUDXGCPI-UHFFFAOYSA-N -1 0 306.391 1.767 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000034936910 182745460 /nfs/dbraw/zinc/74/54/60/182745460.db2.gz RUTVKXJQNPCTNU-SNVBAGLBSA-N -1 0 323.823 1.825 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1SCCc2sccc21 ZINC000269001389 304200020 /nfs/dbraw/zinc/20/00/20/304200020.db2.gz YQUDPKBKYGQGAV-KOLCDFICSA-N -1 0 313.400 1.391 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccc(F)cc2Cl)CCO1 ZINC000043701011 183381895 /nfs/dbraw/zinc/38/18/95/183381895.db2.gz YOVGJPFYMMLUSH-NSHDSACASA-N -1 0 317.700 1.170 50 0 DDAARM COc1cc(F)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000268932026 207097860 /nfs/dbraw/zinc/09/78/60/207097860.db2.gz ZABSTEVSFXVRRJ-FXBDTBDDSA-N -1 0 311.309 1.741 50 0 DDAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000268938289 207103174 /nfs/dbraw/zinc/10/31/74/207103174.db2.gz QDWQBIKVUFLHNU-OTYXRUKQSA-N -1 0 317.301 1.135 50 0 DDAARM Cc1ccccc1-n1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cn1 ZINC000268967760 207131098 /nfs/dbraw/zinc/13/10/98/207131098.db2.gz FARLSZRZUPYFIN-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM CC[C@@]1(c2ccc(Cl)c(C)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842178 184056582 /nfs/dbraw/zinc/05/65/82/184056582.db2.gz WCJABUOHLYNBCP-AWEZNQCLSA-N -1 0 310.737 1.890 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268988069 207145532 /nfs/dbraw/zinc/14/55/32/207145532.db2.gz QPWPONSHFFISHY-CQSZACIVSA-N -1 0 307.346 1.328 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCOc1ccc(F)cc1 ZINC000268986428 207145592 /nfs/dbraw/zinc/14/55/92/207145592.db2.gz QHCWJOSTELXXSX-CYBMUJFWSA-N -1 0 311.309 1.297 50 0 DDAARM Cc1nnnn1-c1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000061721801 184185795 /nfs/dbraw/zinc/18/57/95/184185795.db2.gz HPMSOGMTZQIJAR-NEPJUHHUSA-N -1 0 315.333 1.266 50 0 DDAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc2nncn2c1 ZINC000065199246 184314305 /nfs/dbraw/zinc/31/43/05/184314305.db2.gz WGUZQPLGFQTYON-UHFFFAOYSA-N -1 0 310.285 1.808 50 0 DDAARM Cc1cc(NCCn2[n-]c(=O)ccc2=O)nc(-c2ccccc2)n1 ZINC000065373496 184330362 /nfs/dbraw/zinc/33/03/62/184330362.db2.gz ZLHLOAHLZBOEGG-UHFFFAOYSA-N -1 0 323.356 1.414 50 0 DDAARM CC[C@@H](C(=O)N1CCCn2nc(C(=O)[O-])cc2C1)n1cccn1 ZINC000065424909 184343163 /nfs/dbraw/zinc/34/31/63/184343163.db2.gz DLTQOKLEOBXVBL-ZDUSSCGKSA-N -1 0 317.349 1.161 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)s1 ZINC000263307884 304237529 /nfs/dbraw/zinc/23/75/29/304237529.db2.gz WHRLAIBHOUJMRS-OTYXRUKQSA-N -1 0 311.359 1.514 50 0 DDAARM Cc1cc2ncc(C(=O)N3CCC[C@@H]3c3ccco3)c(=O)n2[n-]1 ZINC000102724836 257242473 /nfs/dbraw/zinc/24/24/73/257242473.db2.gz LIJQGMAKSFIZHT-GFCCVEGCSA-N -1 0 312.329 1.901 50 0 DDAARM C[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000124753059 195676139 /nfs/dbraw/zinc/67/61/39/195676139.db2.gz JOKYFJOUWGBEDF-RISCZKNCSA-N -1 0 309.337 1.706 50 0 DDAARM COc1ccc(C)cc1/C=C/C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000315164078 533375324 /nfs/dbraw/zinc/37/53/24/533375324.db2.gz MBSJNRXBLQLIOA-YVZNUBBCSA-N -1 0 305.330 1.329 50 0 DDAARM COC1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2C)CC1 ZINC000013454929 292169972 /nfs/dbraw/zinc/16/99/72/292169972.db2.gz GBQLBOPUTVYCGI-UHFFFAOYSA-N -1 0 313.375 1.493 50 0 DDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000261636141 407563844 /nfs/dbraw/zinc/56/38/44/407563844.db2.gz DKPZVPJFJIALEI-KFNAQCHYSA-N -1 0 313.357 1.589 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000000189434 406629808 /nfs/dbraw/zinc/62/98/08/406629808.db2.gz GRNMMDSVABNWJT-CMDGGOBGSA-N -1 0 308.297 2.000 50 0 DDAARM CC(C)[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000000518939 406653980 /nfs/dbraw/zinc/65/39/80/406653980.db2.gz XWIKLCBUBMKYRT-HNNXBMFYSA-N -1 0 319.313 1.397 50 0 biogenic DDAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3C2=O)cc1 ZINC000001715963 406678136 /nfs/dbraw/zinc/67/81/36/406678136.db2.gz SSGMBEOQOOLDCZ-UHFFFAOYSA-N -1 0 316.338 1.485 50 0 DDAARM CC(=O)O[C@H](C(=O)[O-])[C@H](OC(C)=O)c1nc2ccccc2s1 ZINC000002361815 406688631 /nfs/dbraw/zinc/68/86/31/406688631.db2.gz SDFBJNWQKYDBAL-RYUDHWBXSA-N -1 0 323.326 1.917 50 0 DDAARM O=C(COCC1CC1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069595573 406739188 /nfs/dbraw/zinc/73/91/88/406739188.db2.gz OULPRXVPBGEDQF-UHFFFAOYSA-N -1 0 320.370 1.466 50 0 DDAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1 ZINC000007056141 406748087 /nfs/dbraw/zinc/74/80/87/406748087.db2.gz YAZXBXPMDNKZRM-UHFFFAOYSA-N -1 0 318.354 1.789 50 0 DDAARM C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000004322668 406723466 /nfs/dbraw/zinc/72/34/66/406723466.db2.gz GZMDFKKLXHSWDH-SKNMWMDOSA-N -1 0 313.309 1.608 50 0 DDAARM Cn1nc(C(=O)[N-]OCc2ccccc2)c2ccccc2c1=O ZINC000008096802 406777686 /nfs/dbraw/zinc/77/76/86/406777686.db2.gz WDDMBXSQZFZZAC-UHFFFAOYSA-N -1 0 309.325 1.795 50 0 DDAARM Cc1n[n-]c(SCC(=O)N2CCCc3ccccc32)nc1=O ZINC000012731887 406850615 /nfs/dbraw/zinc/85/06/15/406850615.db2.gz AQFSROTYIBUVRW-UHFFFAOYSA-N -1 0 316.386 1.545 50 0 DDAARM O=c1[n-]c(=O)c(NN=Cc2ccc(Cl)cc2Cl)n[nH]1 ZINC000013143592 406859560 /nfs/dbraw/zinc/85/95/60/406859560.db2.gz OCKJXVNOKDZWAB-UHFFFAOYSA-N -1 0 300.105 1.211 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)CCO3)C1 ZINC000013260843 406861792 /nfs/dbraw/zinc/86/17/92/406861792.db2.gz BFLLXCFAVVSCNQ-YVARQFDVSA-N -1 0 301.342 1.958 50 0 DDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000017064433 406883608 /nfs/dbraw/zinc/88/36/08/406883608.db2.gz XTBSKDXUPYJHPU-QLKUMGTLSA-N -1 0 302.330 1.239 50 0 DDAARM CCNC(=O)Cn1nc(C)c2c1nc(C1CC1)cc2C(=O)[O-] ZINC000012396371 406843895 /nfs/dbraw/zinc/84/38/95/406843895.db2.gz GHTLLKGHZKQOGI-UHFFFAOYSA-N -1 0 302.334 1.451 50 0 DDAARM Cc1[nH]c(=O)sc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000037417781 406988782 /nfs/dbraw/zinc/98/87/82/406988782.db2.gz UCICRGLDOMUJID-UHFFFAOYSA-N -1 0 314.344 1.244 50 0 DDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCSCC2)c1 ZINC000049097659 407114818 /nfs/dbraw/zinc/11/48/18/407114818.db2.gz KCBWQNKNNOUZRT-UHFFFAOYSA-N -1 0 314.432 1.556 50 0 DDAARM CCCCS(=O)(=O)N1CCC[C@@](CCOC)(C(=O)[O-])C1 ZINC000091305709 407181672 /nfs/dbraw/zinc/18/16/72/407181672.db2.gz YOWSPNZKUQUVNJ-ZDUSSCGKSA-N -1 0 307.412 1.320 50 0 DDAARM COc1ccc(CCN(C)c2ncncc2C(=O)[O-])cc1OC ZINC000095370434 407209983 /nfs/dbraw/zinc/20/99/83/407209983.db2.gz UOAJPMIMSGHXMX-UHFFFAOYSA-N -1 0 317.345 1.871 50 0 DDAARM COCc1cccc(C(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000095970224 407218502 /nfs/dbraw/zinc/21/85/02/407218502.db2.gz SPTQMXGVCMIGJS-UHFFFAOYSA-N -1 0 307.346 1.587 50 0 DDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000095991917 407222019 /nfs/dbraw/zinc/22/20/19/407222019.db2.gz HIIRNFZLSNIQAO-NXEZZACHSA-N -1 0 307.394 1.852 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)n1 ZINC000122949729 407315435 /nfs/dbraw/zinc/31/54/35/407315435.db2.gz KQBVLBOBNBUALI-DUXPYHPUSA-N -1 0 313.313 1.555 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)no1 ZINC000096427373 407264955 /nfs/dbraw/zinc/26/49/55/407264955.db2.gz BHGFCPYPHYAIIX-UHFFFAOYSA-N -1 0 307.335 1.374 50 0 DDAARM CCCc1nc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)cs1 ZINC000067885410 407289344 /nfs/dbraw/zinc/28/93/44/407289344.db2.gz HZYVSUCXBOYGTR-LBPRGKRZSA-N -1 0 322.390 1.991 50 0 DDAARM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccsc1 ZINC000253424959 407445365 /nfs/dbraw/zinc/44/53/65/407445365.db2.gz MYASYJAHGQGNGF-JTQLQIEISA-N -1 0 319.404 1.540 50 0 DDAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ncccn3)c(F)cc2N1 ZINC000253420557 407446224 /nfs/dbraw/zinc/44/62/24/407446224.db2.gz YGEIZWNGNCYNCR-UHFFFAOYSA-N -1 0 322.321 1.301 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cc1cn2ccccc2n1 ZINC000225466877 407587987 /nfs/dbraw/zinc/58/79/87/407587987.db2.gz JNWQMLXRXJGSPY-OAHLLOKOSA-N -1 0 323.352 1.689 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC1CCOCC1 ZINC000238022303 407873862 /nfs/dbraw/zinc/87/38/62/407873862.db2.gz BYUPKNZDZNPLOR-OAHLLOKOSA-N -1 0 303.358 1.841 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2nc3ccccc3s2)CCO1 ZINC000238127461 407893784 /nfs/dbraw/zinc/89/37/84/407893784.db2.gz FUQHJRXFFQFGSF-MVIFTORASA-N -1 0 318.354 1.622 50 0 DDAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CCOC1 ZINC000238146488 407896827 /nfs/dbraw/zinc/89/68/27/407896827.db2.gz FTQHIPGHZMMSAE-LLVKDONJSA-N -1 0 313.300 1.805 50 0 DDAARM Cc1ccc(CCC(=O)N2CC(N3C(=O)COC3=O)C2)cc1F ZINC000240067964 407907213 /nfs/dbraw/zinc/90/72/13/407907213.db2.gz SFKQYZQYJQGVEW-UHFFFAOYSA-N -1 0 320.320 1.256 50 0 DDAARM C[C@H](NC(=O)c1ccc(NC(=O)[C@@]2(C)CCCO2)cc1)C(=O)[O-] ZINC000262818051 407945607 /nfs/dbraw/zinc/94/56/07/407945607.db2.gz AHJUADACDCJPEI-MGPLVRAMSA-N -1 0 320.345 1.397 50 0 DDAARM O=C([O-])c1n[nH]c2c1CN(CC(=O)Nc1ccc(F)cc1)CC2 ZINC000244673928 407931433 /nfs/dbraw/zinc/93/14/33/407931433.db2.gz HYFNAAZZYRWVIT-UHFFFAOYSA-N -1 0 318.308 1.244 50 0 DDAARM O=C([O-])C1(NC(=O)CCn2cnc3ccccc32)CCCC1 ZINC000244858526 407941505 /nfs/dbraw/zinc/94/15/05/407941505.db2.gz VMTOWUFTKNEEGR-UHFFFAOYSA-N -1 0 301.346 1.940 50 0 DDAARM COc1ccc2c(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)coc2c1 ZINC000263060081 408013471 /nfs/dbraw/zinc/01/34/71/408013471.db2.gz XYPYDCLEVPGCLT-CQSZACIVSA-N -1 0 319.313 1.296 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cncc2ccccc21 ZINC000263240455 408070708 /nfs/dbraw/zinc/07/07/08/408070708.db2.gz CCVVITXNINUSHH-GFCCVEGCSA-N -1 0 300.314 1.551 50 0 DDAARM Cn1nccc1CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000263258985 408079345 /nfs/dbraw/zinc/07/93/45/408079345.db2.gz LVNFBCYVLBMFIW-MRXNPFEDSA-N -1 0 313.357 1.563 50 0 DDAARM O=C([O-])c1cc2cc(NC(=O)[C@@H]3COCCO3)ccc2s1 ZINC000263280323 408087849 /nfs/dbraw/zinc/08/78/49/408087849.db2.gz ZZSBFKDJSAPTEU-JTQLQIEISA-N -1 0 307.327 1.953 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000136523761 408109947 /nfs/dbraw/zinc/10/99/47/408109947.db2.gz KXCKHFKYCZQWQO-ZDUSSCGKSA-N -1 0 318.308 1.486 50 0 DDAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H](c2nccn2C)C2CC2)C1 ZINC000263342020 408112580 /nfs/dbraw/zinc/11/25/80/408112580.db2.gz NQVZVUBLEKZUJE-WXHSDQCUSA-N -1 0 320.393 1.623 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cc(C)n(C)n1 ZINC000263361346 408119776 /nfs/dbraw/zinc/11/97/76/408119776.db2.gz UIOBXROBKLVFGO-UHFFFAOYSA-N -1 0 317.345 1.408 50 0 DDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000263431963 408137803 /nfs/dbraw/zinc/13/78/03/408137803.db2.gz KUKISBZFQFOLJB-MRXNPFEDSA-N -1 0 317.345 1.296 50 0 DDAARM CNC(=O)[C@@H]1CCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000191596773 408451954 /nfs/dbraw/zinc/45/19/54/408451954.db2.gz SVWKOTFSGMLCGU-AWEZNQCLSA-N -1 0 318.373 1.445 50 0 DDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000263098264 163914157 /nfs/dbraw/zinc/91/41/57/163914157.db2.gz QXGLDOUPEMWIOH-RYUDHWBXSA-N -1 0 309.366 1.342 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000263568398 163987246 /nfs/dbraw/zinc/98/72/46/163987246.db2.gz YLJBUAYOEWDVBB-ONGXEEELSA-N -1 0 308.309 1.158 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1OC ZINC000034792495 292517415 /nfs/dbraw/zinc/51/74/15/292517415.db2.gz NYNVKFQJJYOTKZ-SWLSCSKDSA-N -1 0 307.346 1.706 50 0 DDAARM C[C@H](CNC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1)C(=O)[O-] ZINC000237471213 298748732 /nfs/dbraw/zinc/74/87/32/298748732.db2.gz MYSZSGYTWPXYJQ-VXGBXAGGSA-N -1 0 310.394 1.395 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237024969 287385015 /nfs/dbraw/zinc/38/50/15/287385015.db2.gz BHPQCURQDAASIP-PELKAZGASA-N -1 0 324.299 1.157 50 0 DDAARM COc1ccc(C)cc1NC(=O)c1c[n-]n2c1nc(C)cc2=O ZINC000102900311 418495417 /nfs/dbraw/zinc/49/54/17/418495417.db2.gz AFRZXKRHJHUBOH-UHFFFAOYSA-N -1 0 312.329 1.900 50 0 DDAARM CN(C)c1cccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)c1 ZINC000103445607 418496620 /nfs/dbraw/zinc/49/66/20/418496620.db2.gz WTGXVNZLSDKWAT-HNNXBMFYSA-N -1 0 323.352 1.996 50 0 DDAARM Nc1ncccc1C[N@@H+]1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426575069 419509051 /nfs/dbraw/zinc/50/90/51/419509051.db2.gz TXNQJWYQYMGKRD-GFCCVEGCSA-N -1 0 315.377 1.325 50 0 DDAARM O=C([O-])C1CCN(C(=O)Cc2ccc3c(c2)OCCO3)CC1 ZINC000299740866 229378117 /nfs/dbraw/zinc/37/81/17/229378117.db2.gz BUHRJYNQDWALGE-UHFFFAOYSA-N -1 0 305.330 1.324 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000299742960 229378927 /nfs/dbraw/zinc/37/89/27/229378927.db2.gz LATVWBOXVLMJPC-LBPRGKRZSA-N -1 0 307.346 1.706 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000492188905 421212270 /nfs/dbraw/zinc/21/22/70/421212270.db2.gz SQFHPTZAPYMMNU-VFFGBVLKSA-N -1 0 305.330 1.793 50 0 DDAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)CN1CCCCC1=O ZINC000630135668 421909698 /nfs/dbraw/zinc/90/96/98/421909698.db2.gz RFTQVLDCEMRXOP-UHFFFAOYSA-N -1 0 320.345 1.409 50 0 DDAARM COc1cc(CNC(=O)/C=C\c2cnn(C)c2)ccc1C(=O)[O-] ZINC000606443854 422458778 /nfs/dbraw/zinc/45/87/78/422458778.db2.gz RSDAXPMDVNNQGQ-XQRVVYSFSA-N -1 0 315.329 1.457 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C1 ZINC000317354714 271022395 /nfs/dbraw/zinc/02/23/95/271022395.db2.gz UFQZVMLULHEIOM-RNZFLTOJSA-N -1 0 303.314 1.752 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)[O-])cc1 ZINC000032229233 295189100 /nfs/dbraw/zinc/18/91/00/295189100.db2.gz YGGWZEAKVMWBGI-NSHDSACASA-N -1 0 313.375 1.713 50 0 DDAARM COc1ccc([C@@H](C)C(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000299752695 295202972 /nfs/dbraw/zinc/20/29/72/295202972.db2.gz VBWBPDUYEATCDU-GFCCVEGCSA-N -1 0 321.373 1.891 50 0 DDAARM NC(=O)C[C@@H]1CCCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237891119 303257401 /nfs/dbraw/zinc/25/74/01/303257401.db2.gz NBVVOBGZWAJHAG-AWEZNQCLSA-N -1 0 318.373 1.574 50 0 DDAARM O=C1C=C([O-])C=C2OC(c3c(O)cccc3O)C(=O)C(O)=C12 ZINC000014644239 304815639 /nfs/dbraw/zinc/81/56/39/304815639.db2.gz NULZZCUABWZIRV-UHFFFAOYSA-N -1 0 302.238 1.988 50 0 biogenic,in-vitro DDAARM CCCCNC(=O)c1c([N-]S(=O)(=O)CC)nc(C)n1C ZINC000390835686 337383897 /nfs/dbraw/zinc/38/38/97/337383897.db2.gz UZAUPFNCKSEXJH-UHFFFAOYSA-N -1 0 302.400 1.020 50 0 DDAARM Cc1nn(C)c2ncc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@@H]3C)cc12 ZINC000263530916 484275814 /nfs/dbraw/zinc/27/58/14/484275814.db2.gz WKJOGUYMFQCYAR-ONGXEEELSA-N -1 0 316.361 1.602 50 0 DDAARM Cc1cccc2nc(C(=O)N3CCSC[C@H]3CC(=O)[O-])cn21 ZINC000170000921 490679894 /nfs/dbraw/zinc/67/98/94/490679894.db2.gz SNIJHBQBEXGMAF-LLVKDONJSA-N -1 0 319.386 1.675 50 0 DDAARM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1c(C)onc1N ZINC000331727720 533874023 /nfs/dbraw/zinc/87/40/23/533874023.db2.gz OFJDOENJUWVJOQ-LLVKDONJSA-N -1 0 323.374 1.370 50 0 DDAARM CC(C)COc1ccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000299747187 528147778 /nfs/dbraw/zinc/14/77/78/528147778.db2.gz CIDLUFSGQQZBKO-OAHLLOKOSA-N -1 0 321.373 1.576 50 0 DDAARM CC(C)[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC000299750194 528350618 /nfs/dbraw/zinc/35/06/18/528350618.db2.gz MUOYMIKVFYYZAT-LPWJVIDDSA-N -1 0 300.399 1.052 50 0 DDAARM CN(Cc1nc(C2CC2)no1)Cc1ccc(O)c(C(=O)[O-])c1 ZINC000067558903 696361933 /nfs/dbraw/zinc/36/19/33/696361933.db2.gz MZIUPVHGGSCANI-UHFFFAOYSA-N -1 0 303.318 1.983 50 0 DDAARM C/C(=C/C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1)c1ccncc1 ZINC000124985087 696747894 /nfs/dbraw/zinc/74/78/94/696747894.db2.gz CCRXWXYOBRJQOM-HCYCVZQXSA-N -1 0 324.402 1.500 50 0 DDAARM Cc1ccc(NC(=O)CN(C)C)c(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000952966767 721529123 /nfs/dbraw/zinc/52/91/23/721529123.db2.gz GLBHHTMQMQYLHY-UHFFFAOYSA-N -1 0 319.361 1.298 50 0 DDAARM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000585128549 771960299 /nfs/dbraw/zinc/96/02/99/771960299.db2.gz FEIVGWNLBIBMDG-UHFFFAOYSA-N -1 0 320.378 1.616 50 0 DDAARM Cn1cc(CCC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])cn1 ZINC000095463995 185371483 /nfs/dbraw/zinc/37/14/83/185371483.db2.gz RLMZWAFAKWOFJH-CQSZACIVSA-N -1 0 319.336 1.304 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000236628672 201940667 /nfs/dbraw/zinc/94/06/67/201940667.db2.gz STSMJOHEONJNCR-SMJHDNPOSA-N -1 0 307.321 1.931 50 0 DDAARM CNC(=O)c1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)ccc1Cl ZINC000071288300 190953326 /nfs/dbraw/zinc/95/33/26/190953326.db2.gz DWJOPUYCVKDLCS-QWRGUYRKSA-N -1 0 324.764 1.995 50 0 DDAARM CC(C)Cc1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000071755308 191025009 /nfs/dbraw/zinc/02/50/09/191025009.db2.gz OSRRGUVHOQUUMR-UHFFFAOYSA-N -1 0 305.374 1.937 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000072462494 191172472 /nfs/dbraw/zinc/17/24/72/191172472.db2.gz PXBNXGQBESJGOB-ZDUSSCGKSA-N -1 0 303.362 1.642 50 0 DDAARM C[C@@H](NC(=O)c1cccc(CCC(C)(C)O)c1)c1n[nH]c(=O)[n-]1 ZINC000072478134 191179379 /nfs/dbraw/zinc/17/93/79/191179379.db2.gz YZZGBHNHBKVCMU-SNVBAGLBSA-N -1 0 318.377 1.293 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000076020313 353390800 /nfs/dbraw/zinc/39/08/00/353390800.db2.gz SJRWJDMABOPSCJ-KBPBESRZSA-N -1 0 310.419 1.801 50 0 DDAARM C[C@H]1CN(c2ccccc2NC(=O)c2n[nH]c(=O)[n-]2)C[C@H](C)O1 ZINC000080399685 353605994 /nfs/dbraw/zinc/60/59/94/353605994.db2.gz ZKUJPKADMQWWFI-UWVGGRQHSA-N -1 0 317.349 1.376 50 0 DDAARM CCS[C@H](C)C[C@@H]1CC(=O)C(C(C)=O)=C([O-])[C@@H]1C(=O)OC ZINC000102718324 353926568 /nfs/dbraw/zinc/92/65/68/353926568.db2.gz RDANDEOJKSBVOQ-HMHPOGMRSA-N -1 0 314.403 1.671 50 0 DDAARM O=C([O-])C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000003883091 181052485 /nfs/dbraw/zinc/05/24/85/181052485.db2.gz UBGPKXCDBYKGFU-UHFFFAOYSA-N -1 0 302.330 1.581 50 0 DDAARM COc1ccc(C)cc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004173892 181082126 /nfs/dbraw/zinc/08/21/26/181082126.db2.gz FQOJPAYLDFVNPE-RQJABVFESA-N -1 0 303.314 1.596 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000004218316 181085513 /nfs/dbraw/zinc/08/55/13/181085513.db2.gz GHCKUEBYHJNTNM-UHFFFAOYSA-N -1 0 321.757 1.964 50 0 DDAARM COC(=O)C[C@@H](NC(=O)CCC(=O)[O-])c1cccc(C)c1C ZINC000004576197 181125889 /nfs/dbraw/zinc/12/58/89/181125889.db2.gz UCKCIUYMKDDAOX-CYBMUJFWSA-N -1 0 307.346 1.889 50 0 DDAARM COc1ccccc1N1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000004687712 181136902 /nfs/dbraw/zinc/13/69/02/181136902.db2.gz LHTOAUKSVAOOLZ-ZDUSSCGKSA-N -1 0 320.389 1.845 50 0 DDAARM CC[C@@H](CNc1nc(C)[n-]c(=O)c1Cl)N1CCOCC1 ZINC000584901479 354800925 /nfs/dbraw/zinc/80/09/25/354800925.db2.gz MOJWTHJDPYFKOJ-JTQLQIEISA-N -1 0 300.790 1.667 50 0 DDAARM COCCn1cc(NC(=O)CCc2ccccc2C(=O)[O-])cn1 ZINC000585134472 354811084 /nfs/dbraw/zinc/81/10/84/354811084.db2.gz VMGSXEMWBNWUNC-UHFFFAOYSA-N -1 0 317.345 1.799 50 0 DDAARM CCOc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1Cl ZINC000004838729 181160046 /nfs/dbraw/zinc/16/00/46/181160046.db2.gz VCVOIRSFSDYFLR-UHFFFAOYSA-N -1 0 307.755 1.444 50 0 DDAARM C[C@@H](O)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005426496 181242404 /nfs/dbraw/zinc/24/24/04/181242404.db2.gz LMFZAWXLAJFKLM-BMIGLBTASA-N -1 0 304.346 1.441 50 0 DDAARM O=S(=O)(c1ccc2oc(=S)[n-]c2c1)N1CCOCC1 ZINC000005616506 181263916 /nfs/dbraw/zinc/26/39/16/181263916.db2.gz UCPWUDHGWNEFMI-UHFFFAOYSA-N -1 0 300.361 1.137 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000237033207 202129256 /nfs/dbraw/zinc/12/92/56/202129256.db2.gz KIWKKDIUAJNLDE-UHFFFAOYSA-N -1 0 318.373 1.679 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237172483 202174614 /nfs/dbraw/zinc/17/46/14/202174614.db2.gz SLTPQAMYGDOOSH-QPJJXVBHSA-N -1 0 316.357 1.383 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccnn1C1CCCC1 ZINC000263343078 304078813 /nfs/dbraw/zinc/07/88/13/304078813.db2.gz YEWMIRMRPOCWFH-GFCCVEGCSA-N -1 0 307.350 1.314 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Cn2cncn2)C1 ZINC000237653620 202319045 /nfs/dbraw/zinc/31/90/45/202319045.db2.gz GITUTOBKHOVAFB-INIZCTEOSA-N -1 0 314.345 1.263 50 0 DDAARM Cc1cccc(OCCNC(=O)CN2CCC[C@H]2C(=O)[O-])c1 ZINC000237711774 202334815 /nfs/dbraw/zinc/33/48/15/202334815.db2.gz TVSBRBVCQXHVGY-AWEZNQCLSA-N -1 0 306.362 1.039 50 0 DDAARM Cc1nc(-c2c[nH]c(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2)cs1 ZINC000237785289 202354589 /nfs/dbraw/zinc/35/45/89/202354589.db2.gz XATLEZAMTVHYDD-LBPRGKRZSA-N -1 0 321.358 1.372 50 0 DDAARM O=C([O-])COc1ccc(CCNC(=O)[C@H]2C[C@@H]2C2CC2)cc1 ZINC000237988562 202412528 /nfs/dbraw/zinc/41/25/28/202412528.db2.gz SUUXWZPYJNVKFW-CABCVRRESA-N -1 0 303.358 1.855 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc32)C1 ZINC000096345496 304097961 /nfs/dbraw/zinc/09/79/61/304097961.db2.gz AITKSAIKAXTKSG-ZCFIWIBFSA-N -1 0 324.134 1.763 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000108654818 304116287 /nfs/dbraw/zinc/11/62/87/304116287.db2.gz ZIBKHZJLVZZJSF-CHWSQXEVSA-N -1 0 318.377 1.016 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cn1 ZINC000006698759 181372107 /nfs/dbraw/zinc/37/21/07/181372107.db2.gz PPMIHGBFYHZJDR-UHFFFAOYSA-N -1 0 311.363 1.721 50 0 DDAARM CC[C@@]1(C)CN(C(=O)c2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000621538484 364902989 /nfs/dbraw/zinc/90/29/89/364902989.db2.gz QVCPDPYKWSLWOD-INIZCTEOSA-N -1 0 307.346 1.791 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cccn2)C1 ZINC000091587323 193077254 /nfs/dbraw/zinc/07/72/54/193077254.db2.gz YXCMKPWMBKZCRJ-HNNXBMFYSA-N -1 0 309.366 1.003 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC)o2)C1 ZINC000091624685 193080890 /nfs/dbraw/zinc/08/08/90/193080890.db2.gz RQQVZLONWJAIKN-HNNXBMFYSA-N -1 0 311.334 1.632 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(Cc2nnc(C3CC3)o2)C1 ZINC000092019397 193143310 /nfs/dbraw/zinc/14/33/10/193143310.db2.gz NIEQOEKDPRELAP-HNNXBMFYSA-N -1 0 309.366 1.650 50 0 DDAARM COc1cc2c(cc1OC)CN(C(=O)C1(C(=O)[O-])CC1)CC2 ZINC000261865550 203137182 /nfs/dbraw/zinc/13/71/82/203137182.db2.gz GLCVPAJOMIWOMM-UHFFFAOYSA-N -1 0 305.330 1.453 50 0 DDAARM COc1cc(C(=O)N[C@H](C)CC(=O)[O-])ccc1OC(F)F ZINC000095955755 193458469 /nfs/dbraw/zinc/45/84/69/193458469.db2.gz BVHQNJJQADZIEE-SSDOTTSWSA-N -1 0 303.261 1.890 50 0 DDAARM Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000008670490 181571774 /nfs/dbraw/zinc/57/17/74/181571774.db2.gz DSKWGTOUGSOCFI-UHFFFAOYSA-N -1 0 319.342 1.920 50 0 DDAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)c1ccc2c(c1)CCO2 ZINC000072469579 304162396 /nfs/dbraw/zinc/16/23/96/304162396.db2.gz RFFIDHHUHJCENJ-AWEZNQCLSA-N -1 0 313.313 1.169 50 0 DDAARM CCn1ncc(CNC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1C ZINC000017054971 182072753 /nfs/dbraw/zinc/07/27/53/182072753.db2.gz QYDZQURODCMETB-VHMBPLKRSA-N -1 0 319.405 1.965 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cnc2ccccc2c1 ZINC000263505165 304180813 /nfs/dbraw/zinc/18/08/13/304180813.db2.gz VJEXDYMCDPIDFJ-CQSZACIVSA-N -1 0 320.370 1.863 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)oc(=O)n2C ZINC000021932396 182299236 /nfs/dbraw/zinc/29/92/36/182299236.db2.gz KJQUFZOZJLXSNE-UHFFFAOYSA-N -1 0 323.330 1.537 50 0 DDAARM CCO[N-]C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032848320 182671405 /nfs/dbraw/zinc/67/14/05/182671405.db2.gz OXGBAVKONCWYGY-GFCCVEGCSA-N -1 0 316.354 1.047 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000036623946 182830904 /nfs/dbraw/zinc/83/09/04/182830904.db2.gz YXBZNKKSXVLCOU-QWHCGFSZSA-N -1 0 307.394 1.886 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2cccc3c2OCCO3)CCSC1 ZINC000043511009 183368602 /nfs/dbraw/zinc/36/86/02/183368602.db2.gz KDLDWZUODKCENA-CQSZACIVSA-N -1 0 309.343 1.148 50 0 DDAARM C[C@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000268905736 207073826 /nfs/dbraw/zinc/07/38/26/207073826.db2.gz MJPCXNRSDSPYJH-RISCZKNCSA-N -1 0 307.346 1.695 50 0 DDAARM CCc1ccc([N-]S(=O)(=O)c2cn[nH]c2)c(C(=O)OC)c1 ZINC000058244941 184093830 /nfs/dbraw/zinc/09/38/30/184093830.db2.gz IEZVSWYAMVSXDV-UHFFFAOYSA-N -1 0 309.347 1.560 50 0 DDAARM CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000058355815 184107963 /nfs/dbraw/zinc/10/79/63/184107963.db2.gz JRAXPXPYBLFZJJ-LLVKDONJSA-N -1 0 306.318 1.088 50 0 DDAARM Cc1ccc(S(=O)(=O)Nc2c[nH]ccc2=O)cc1C(=O)[O-] ZINC000058323001 184104850 /nfs/dbraw/zinc/10/48/50/184104850.db2.gz DIAYSZFQIKMSSI-UHFFFAOYSA-N -1 0 308.315 1.595 50 0 DDAARM Cc1nnc2c(S(=O)(=O)[N-]c3cccc(F)c3)cccn12 ZINC000062592003 184244301 /nfs/dbraw/zinc/24/43/01/184244301.db2.gz GGMUGTPFJKKVMQ-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cc2)n1 ZINC000237701135 257238725 /nfs/dbraw/zinc/23/87/25/257238725.db2.gz SVYOUXNWJGUPRH-INIZCTEOSA-N -1 0 315.329 1.982 50 0 DDAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299752548 533666733 /nfs/dbraw/zinc/66/67/33/533666733.db2.gz UOEDHWXPNYNUNO-FZMZJTMJSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1ccc(Cl)cc1N1N[C@@H](O[C@H](C)C(=O)[O-])C=CC1=O ZINC000032918620 134683931 /nfs/dbraw/zinc/68/39/31/134683931.db2.gz OEMVQYZSTAUHOE-SKDRFNHKSA-N -1 0 310.737 1.872 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000034926333 134690697 /nfs/dbraw/zinc/69/06/97/134690697.db2.gz RHQLLBUXAVBDGH-KGLIPLIRSA-N -1 0 320.364 1.831 50 0 DDAARM Cc1ccc(-n2c(SCC(N)=O)nc([O-])c(C)c2=O)cc1 ZINC000000254881 406634926 /nfs/dbraw/zinc/63/49/26/406634926.db2.gz CJAUDMNVSDZFJA-UHFFFAOYSA-N -1 0 305.359 1.132 50 0 DDAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(N)=O)cc1 ZINC000000470926 406651125 /nfs/dbraw/zinc/65/11/25/406651125.db2.gz BBGJWFDANCJNIM-UHFFFAOYSA-N -1 0 303.318 1.803 50 0 DDAARM O=C([O-])[C@H](CC(=O)NCc1ccccc1)[NH2+]Cc1ccccc1 ZINC000002013240 406682377 /nfs/dbraw/zinc/68/23/77/406682377.db2.gz UTEIYYMJOOFGCY-INIZCTEOSA-N -1 0 312.369 1.936 50 0 DDAARM O=C(c1ccc2c(c1)C(=O)c1ccccc1-2)[C@H](O)S(=O)(=O)[O-] ZINC000002324961 406685041 /nfs/dbraw/zinc/68/50/41/406685041.db2.gz TVZARGXMZUKYCE-OAHLLOKOSA-N -1 0 318.306 1.287 50 0 DDAARM COC(=O)c1ccc([C@H](CC(N)=O)[N-]C(=O)C(F)(F)F)cc1 ZINC000002511824 406690613 /nfs/dbraw/zinc/69/06/13/406690613.db2.gz SHFZCZSEFVTBMS-VIFPVBQESA-N -1 0 318.251 1.068 50 0 DDAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000007422858 406757737 /nfs/dbraw/zinc/75/77/37/406757737.db2.gz FLZZMKZFFIOVEA-UHFFFAOYSA-N -1 0 310.331 1.961 50 0 DDAARM CCOC(=O)CCc1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O ZINC000009060186 406803420 /nfs/dbraw/zinc/80/34/20/406803420.db2.gz CGGPOSVKMHPGGN-UHFFFAOYSA-N -1 0 314.345 1.846 50 0 DDAARM CCCCn1c([O-])c([C@H]2OC(=O)c3ccccc32)c(=O)[nH]c1=O ZINC000008971268 406799540 /nfs/dbraw/zinc/79/95/40/406799540.db2.gz WKMNZEUIFUGZJT-LBPRGKRZSA-N -1 0 316.313 1.302 50 0 DDAARM COc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1OC ZINC000012558772 406848282 /nfs/dbraw/zinc/84/82/82/406848282.db2.gz IWKMQOAMKXXCAZ-WDZFZDKYSA-N -1 0 323.326 1.825 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000034926373 406965290 /nfs/dbraw/zinc/96/52/90/406965290.db2.gz QUUAUSDYQPWPQF-CABCVRRESA-N -1 0 316.401 1.688 50 0 DDAARM COC(=O)c1sccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000032096472 406946083 /nfs/dbraw/zinc/94/60/83/406946083.db2.gz FJIWKLJEWUQMQR-UHFFFAOYSA-N -1 0 307.287 1.275 50 0 DDAARM O=c1c2c3c(sc2ncn1CCc1nnn[n-]1)CCCC3 ZINC000032541256 406949161 /nfs/dbraw/zinc/94/91/61/406949161.db2.gz QFPJEOZELHHBDX-UHFFFAOYSA-N -1 0 302.363 1.093 50 0 DDAARM O=c1c2c3c(sc2ncn1Cc1nnn[n-]1)CCCCC3 ZINC000032592920 406950666 /nfs/dbraw/zinc/95/06/66/406950666.db2.gz IWUNWBQZYNZIPO-UHFFFAOYSA-N -1 0 302.363 1.288 50 0 DDAARM C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)[O-])C1=O ZINC000037011689 406984877 /nfs/dbraw/zinc/98/48/77/406984877.db2.gz AWRMUZRVVDNNTD-GFCCVEGCSA-N -1 0 317.128 1.845 50 0 DDAARM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000048991502 407113206 /nfs/dbraw/zinc/11/32/06/407113206.db2.gz DSIUSUFSPHSEOS-UHFFFAOYSA-N -1 0 313.310 1.445 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCN1CCCCO1 ZINC000055386834 407201967 /nfs/dbraw/zinc/20/19/67/407201967.db2.gz GRAQGOBKIGUUDK-AWEZNQCLSA-N -1 0 306.362 1.216 50 0 DDAARM CCc1nc(CN(C)[C@H](C(=O)[O-])c2ccc3c(c2)OCO3)no1 ZINC000095361920 407208893 /nfs/dbraw/zinc/20/88/93/407208893.db2.gz HPUSGRDKXDVDRD-AWEZNQCLSA-N -1 0 319.317 1.618 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2CC(C)C)cn1 ZINC000095944041 407216316 /nfs/dbraw/zinc/21/63/16/407216316.db2.gz RWGHYBAMNPCMLO-UHFFFAOYSA-N -1 0 311.411 1.934 50 0 DDAARM Cc1cc(C)n(CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC000095989721 407221512 /nfs/dbraw/zinc/22/15/12/407221512.db2.gz GMBVQSXCCZAGMF-AWEZNQCLSA-N -1 0 319.336 1.451 50 0 DDAARM COc1cccc(S(=O)(=O)[N-]c2cnn([C@H]3CCOC3)c2)c1 ZINC000096123261 407239931 /nfs/dbraw/zinc/23/99/31/407239931.db2.gz IZQHIYKFXQLSLO-LBPRGKRZSA-N -1 0 323.374 1.654 50 0 DDAARM O=C(NCCn1cnnc1C1CC1)c1c([O-])cc(F)cc1F ZINC000096436800 407266104 /nfs/dbraw/zinc/26/61/04/407266104.db2.gz OYVHTRXTDPVERN-UHFFFAOYSA-N -1 0 308.288 1.569 50 0 DDAARM COc1cccc2c1ccn2CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000067640764 407278397 /nfs/dbraw/zinc/27/83/97/407278397.db2.gz WJMROJPDRPZYNJ-OAHLLOKOSA-N -1 0 304.346 1.875 50 0 DDAARM Cc1ccccc1SC1CCN(C(=O)Cc2nnn[n-]2)CC1 ZINC000067803653 407285545 /nfs/dbraw/zinc/28/55/45/407285545.db2.gz ORKFKTSVTPNICO-UHFFFAOYSA-N -1 0 317.418 1.834 50 0 DDAARM Cc1n[nH]c(C)c1Cc1nnc(SCC(=O)[O-])n1C1CC1 ZINC000067833705 407286165 /nfs/dbraw/zinc/28/61/65/407286165.db2.gz ONTRCQWQQAPGDI-UHFFFAOYSA-N -1 0 307.379 1.720 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000067894919 407289414 /nfs/dbraw/zinc/28/94/14/407289414.db2.gz HDWDPUGURQJIAO-CQSZACIVSA-N -1 0 316.361 1.648 50 0 DDAARM Cc1[nH]nc(C2CC2)c1-c1nc([C@H]2CCOC2)nn1CC(=O)[O-] ZINC000097522442 407299126 /nfs/dbraw/zinc/29/91/26/407299126.db2.gz GRYMSQVJEXNFGF-JTQLQIEISA-N -1 0 317.349 1.443 50 0 DDAARM CCn1ncnc1CN1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000097568817 407299680 /nfs/dbraw/zinc/29/96/80/407299680.db2.gz DDTJQZJJSOAMDD-UHFFFAOYSA-N -1 0 315.377 1.318 50 0 DDAARM CCc1nc(C)sc1CN1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000097575004 407299915 /nfs/dbraw/zinc/29/99/15/407299915.db2.gz VJUYROWFQUQDEI-LBPRGKRZSA-N -1 0 306.391 1.749 50 0 DDAARM COc1cc(/C=C\C(=O)[N-]S(C)(=O)=O)ccc1OC(C)C ZINC000098054817 407305174 /nfs/dbraw/zinc/30/51/74/407305174.db2.gz IKZYFSLDCNJXMM-VURMDHGXSA-N -1 0 313.375 1.571 50 0 DDAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100166130 407307335 /nfs/dbraw/zinc/30/73/35/407307335.db2.gz NADRFVQJUKWNGP-KOLCDFICSA-N -1 0 322.704 1.147 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)C[C@@H]2CCOc3ccccc32)n1 ZINC000122722080 407309159 /nfs/dbraw/zinc/30/91/59/407309159.db2.gz WXLALJUYQWPYTD-NSHDSACASA-N -1 0 315.329 1.863 50 0 DDAARM CC(C)=CCC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000105366919 407353598 /nfs/dbraw/zinc/35/35/98/407353598.db2.gz AYRGGDSIYYYSRA-GMIGGYDBSA-N -1 0 305.374 1.988 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@H](C)O2)s1 ZINC000126045867 407403647 /nfs/dbraw/zinc/40/36/47/407403647.db2.gz ZDOBALHQBHFKAT-IMTBSYHQSA-N -1 0 304.393 1.132 50 0 DDAARM C[C@]1(C(=O)[O-])CCCN(C(=O)Cc2nc3ccccc3[nH]2)C1 ZINC000215521878 407488219 /nfs/dbraw/zinc/48/82/19/407488219.db2.gz GIJQXFPFDOBGST-INIZCTEOSA-N -1 0 301.346 1.819 50 0 DDAARM Cc1ccc2[nH]c(=O)c(CN3CCOC[C@@H]3C(=O)[O-])cc2c1 ZINC000253536455 407456149 /nfs/dbraw/zinc/45/61/49/407456149.db2.gz FYMFKPCIBNAPOA-CQSZACIVSA-N -1 0 302.330 1.534 50 0 DDAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)c1sccc1Cl ZINC000223746054 407571634 /nfs/dbraw/zinc/57/16/34/407571634.db2.gz WJOMQLBREFLLAP-BDAKNGLRSA-N -1 0 319.766 1.390 50 0 DDAARM COc1ccc(CNC(=O)COCC(F)(F)F)cc1C(=O)[O-] ZINC000225443610 407584219 /nfs/dbraw/zinc/58/42/19/407584219.db2.gz AYPQVTFKKDIPAC-UHFFFAOYSA-N -1 0 321.251 1.589 50 0 DDAARM Cn1cnc(C(=O)Nc2n[nH]c(-c3ccc(O)c(Cl)c3)n2)c1 ZINC000225699189 407600829 /nfs/dbraw/zinc/60/08/29/407600829.db2.gz WKJMRSIIPBLPNA-UHFFFAOYSA-N -1 0 318.724 1.817 50 0 DDAARM CN(C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1)c1ccc(F)cc1 ZINC000225828789 407609574 /nfs/dbraw/zinc/60/95/74/407609574.db2.gz XVNOCERTJCTNKD-SNVBAGLBSA-N -1 0 320.324 1.938 50 0 DDAARM CC(C)[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)C(=O)[O-] ZINC000262455941 407840183 /nfs/dbraw/zinc/84/01/83/407840183.db2.gz RNAOHPIUXRUQEF-SECBINFHSA-N -1 0 309.746 1.867 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC[C@H]1CCCO1 ZINC000238026044 407872988 /nfs/dbraw/zinc/87/29/88/407872988.db2.gz DGZIPJUZANIUFU-HUUCEWRRSA-N -1 0 303.358 1.984 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)CCO1 ZINC000238122530 407893677 /nfs/dbraw/zinc/89/36/77/407893677.db2.gz NMUQGLMBCPTECQ-CQSZACIVSA-N -1 0 321.348 1.950 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2cc(F)ccc2F)CCO1 ZINC000238193423 407896878 /nfs/dbraw/zinc/89/68/78/407896878.db2.gz JHPHLSROSYXFPC-GFCCVEGCSA-N -1 0 313.300 1.600 50 0 DDAARM CCO[N-]C(=O)C(=O)Nc1c(F)cccc1Br ZINC000134739255 407932094 /nfs/dbraw/zinc/93/20/94/407932094.db2.gz JFPCSJMYGGDAIN-UHFFFAOYSA-N -1 0 305.103 1.594 50 0 DDAARM O=C([O-])C[C@@H]1CCCN1C(=O)CN1C(=O)CCc2ccccc21 ZINC000263068053 408016596 /nfs/dbraw/zinc/01/65/96/408016596.db2.gz XYHBRNUNMRYZEU-ZDUSSCGKSA-N -1 0 316.357 1.432 50 0 DDAARM Cn1nc(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000263255217 408076831 /nfs/dbraw/zinc/07/68/31/408076831.db2.gz UBAXVQKZAJSPMZ-INIZCTEOSA-N -1 0 301.346 1.439 50 0 DDAARM Cn1ncc(C(=O)NC2CCC(C(=O)[O-])CC2)c1-n1cccc1 ZINC000273212234 408108960 /nfs/dbraw/zinc/10/89/60/408108960.db2.gz WDHBCNXQNRZXOT-UHFFFAOYSA-N -1 0 316.361 1.584 50 0 DDAARM O=C([O-])c1ccc(CC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000263339138 408112122 /nfs/dbraw/zinc/11/21/22/408112122.db2.gz OLEBSMRCZSNNJT-CQSZACIVSA-N -1 0 314.345 1.383 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2cc3sccc3s2)CC1 ZINC000161626928 408621376 /nfs/dbraw/zinc/62/13/76/408621376.db2.gz XVZACPVRDSRITK-UHFFFAOYSA-N -1 0 310.400 1.805 50 0 DDAARM Cn1nccc1/C=C/C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000192838531 408659583 /nfs/dbraw/zinc/65/95/83/408659583.db2.gz GFBDKQGFZSNTQU-LQYUOIDQSA-N -1 0 311.341 1.471 50 0 DDAARM O=C(Cn1ccc2ccccc21)[N-]S(=O)(=O)CC1CCC1 ZINC000165039378 408807223 /nfs/dbraw/zinc/80/72/23/408807223.db2.gz VLMBNVGMCUROSD-UHFFFAOYSA-N -1 0 306.387 1.887 50 0 DDAARM O=C([O-])c1ccc(NC(=O)CS(=O)(=O)C2CCCC2)cc1 ZINC000262122060 163771867 /nfs/dbraw/zinc/77/18/67/163771867.db2.gz MHWHKMRWTVZKHG-UHFFFAOYSA-N -1 0 311.359 1.681 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000262471911 163834635 /nfs/dbraw/zinc/83/46/35/163834635.db2.gz ADOBIFRENDJSPQ-LBPRGKRZSA-N -1 0 304.281 1.096 50 0 DDAARM COc1ccc(C)cc1/C=C\C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000315164076 409839211 /nfs/dbraw/zinc/83/92/11/409839211.db2.gz MBSJNRXBLQLIOA-SDQPKGBYSA-N -1 0 305.330 1.329 50 0 DDAARM Cc1oc(CN(C)C(=O)[C@H]2CCN(C)C(=O)C2)cc1C(=O)[O-] ZINC000120732740 418503645 /nfs/dbraw/zinc/50/36/45/418503645.db2.gz HCHIXYCGOBMBHZ-JTQLQIEISA-N -1 0 308.334 1.113 50 0 DDAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000246549530 222223335 /nfs/dbraw/zinc/22/33/35/222223335.db2.gz QVQJGKUFZWGCML-IAZYJMLFSA-N -1 0 314.794 1.976 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccc3c(c2)OCO3)C1 ZINC000316446453 271018138 /nfs/dbraw/zinc/01/81/38/271018138.db2.gz SCVPHKNJMKIBOV-IMMZDGJCSA-N -1 0 303.314 1.752 50 0 DDAARM CC(=O)c1cn(CCC(=O)N[C@@H](C)C(=O)[O-])c2ccccc12 ZINC000040312620 278253246 /nfs/dbraw/zinc/25/32/46/278253246.db2.gz OXSAVFGEJYQRAI-JTQLQIEISA-N -1 0 302.330 1.823 50 0 DDAARM CC(C)C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000006883797 279196482 /nfs/dbraw/zinc/19/64/82/279196482.db2.gz CDNNBFMNMGDYJG-NSHDSACASA-N -1 0 314.382 1.565 50 0 DDAARM CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426589683 289750848 /nfs/dbraw/zinc/75/08/48/289750848.db2.gz ADVZDKQGCUUQDE-GFCCVEGCSA-N -1 0 315.377 1.038 50 0 DDAARM CN1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)CC1=O ZINC000246742551 290193081 /nfs/dbraw/zinc/19/30/81/290193081.db2.gz YWQIFRKOUGBGHP-VOAKCMCISA-N -1 0 308.378 1.099 50 0 DDAARM C[C@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c2ccccc2O1 ZINC000069981905 300286865 /nfs/dbraw/zinc/28/68/65/300286865.db2.gz DEPISSIZHUXHBI-VIFPVBQESA-N -1 0 322.342 1.689 50 0 DDAARM Cc1c2c(cc(=O)n1C)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000030822915 301015078 /nfs/dbraw/zinc/01/50/78/301015078.db2.gz OAJIGSUQPBLVOA-UHFFFAOYSA-N -1 0 312.354 1.936 50 0 DDAARM Cc1cnn(CCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000299750948 302400619 /nfs/dbraw/zinc/40/06/19/302400619.db2.gz OVUHGQGRDPVNTM-MCIONIFRSA-N -1 0 305.378 1.826 50 0 DDAARM NC(=O)c1ccsc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017056023 303350416 /nfs/dbraw/zinc/35/04/16/303350416.db2.gz VFBOXGLFJANVJU-MQBNAMFZSA-N -1 0 322.386 1.923 50 0 DDAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)NCCCc2ccco2)N1C1CC1 ZINC000663227980 484753092 /nfs/dbraw/zinc/75/30/92/484753092.db2.gz BZTZEVXHWPGLRD-KBPBESRZSA-N -1 0 306.362 1.408 50 0 DDAARM O=C([O-])CN(C(=O)CCc1ccc2c(c1)OCCCO2)C1CC1 ZINC000299742402 534499237 /nfs/dbraw/zinc/49/92/37/534499237.db2.gz HRNBVPYNQCMWLP-UHFFFAOYSA-N -1 0 319.357 1.856 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1 ZINC000299745462 534524894 /nfs/dbraw/zinc/52/48/94/534524894.db2.gz ZGIKNYMDVKUWAM-AWEZNQCLSA-N -1 0 302.330 1.413 50 0 DDAARM CCOc1cc(CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1OC ZINC000299747697 528257456 /nfs/dbraw/zinc/25/74/56/528257456.db2.gz DSBRHDLNDIZXKX-CHWSQXEVSA-N -1 0 321.373 1.863 50 0 DDAARM CC[C@@H](Oc1ccccc1F)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299749992 529249693 /nfs/dbraw/zinc/24/96/93/529249693.db2.gz MHBMHGLKNLUPHA-YPMHNXCESA-N -1 0 311.309 1.295 50 0 DDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1Cn1cccn1 ZINC000020606345 696070764 /nfs/dbraw/zinc/07/07/64/696070764.db2.gz AIOBZKASUSSCOZ-GXTWGEPZSA-N -1 0 319.386 1.728 50 0 DDAARM CCn1ncnc1[C@H](C)NC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055270732 696283042 /nfs/dbraw/zinc/28/30/42/696283042.db2.gz VAXGGDOGDIZUEN-JTQLQIEISA-N -1 0 317.349 1.286 50 0 DDAARM O=c1cc(CNS(=O)(=O)c2ccccn2)nc(C2CCC2)[nH]1 ZINC000864094317 706065836 /nfs/dbraw/zinc/06/58/36/706065836.db2.gz QMMQDIBJGAFSAP-UHFFFAOYSA-N -1 0 320.374 1.323 50 0 DDAARM COc1ccc(CC(=O)N(Cc2nnn[n-]2)CC(C)C)cc1 ZINC000952994572 721534534 /nfs/dbraw/zinc/53/45/34/721534534.db2.gz YCDWHDOCQXDMOQ-UHFFFAOYSA-N -1 0 303.366 1.436 50 0 DDAARM Cc1nn(C)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1Cl ZINC000585129803 771962573 /nfs/dbraw/zinc/96/25/73/771962573.db2.gz XHDPULAMANDFJE-UHFFFAOYSA-N -1 0 317.802 1.960 50 0 DDAARM COc1cc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)sn1 ZINC000952883641 775644286 /nfs/dbraw/zinc/64/42/86/775644286.db2.gz OKWPJNIMZDMZQA-UHFFFAOYSA-N -1 0 300.365 1.359 50 0 DDAARM CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000079028559 185147188 /nfs/dbraw/zinc/14/71/88/185147188.db2.gz PHBYLQRCXKHGTF-LLVKDONJSA-N -1 0 322.340 1.461 50 0 DDAARM CC(C)(C)OC(=O)NCCCCCCNC(=O)/C=C/C(=O)[O-] ZINC000083253980 185221498 /nfs/dbraw/zinc/22/14/98/185221498.db2.gz RUZIVPSDSPCJMP-CMDGGOBGSA-N -1 0 314.382 1.829 50 0 DDAARM CCc1nccc(CN2CCc3c(c(C(=O)[O-])nn3C)C2)n1 ZINC000216050580 539264416 /nfs/dbraw/zinc/26/44/16/539264416.db2.gz YYBOTZNUKAADGL-UHFFFAOYSA-N -1 0 301.350 1.029 50 0 DDAARM O=C([O-])c1ccn(-c2cccc(CNC(=O)[C@H]3CC34CC4)c2)n1 ZINC000263080895 539275988 /nfs/dbraw/zinc/27/59/88/539275988.db2.gz BIQYNMLUVYDEGN-CYBMUJFWSA-N -1 0 311.341 1.987 50 0 DDAARM Cc1ccc(C[C@@H](CNC(=O)c2cnsn2)C(=O)[O-])cc1 ZINC000095425431 185361598 /nfs/dbraw/zinc/36/15/98/185361598.db2.gz LZWPDUJNBRKKPM-NSHDSACASA-N -1 0 305.359 1.520 50 0 DDAARM Cc1cnn(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c1 ZINC000072272839 191094954 /nfs/dbraw/zinc/09/49/54/191094954.db2.gz VZJHCGTYBAXBHU-LLVKDONJSA-N -1 0 307.375 1.975 50 0 DDAARM Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)on1 ZINC000014372061 352150697 /nfs/dbraw/zinc/15/06/97/352150697.db2.gz NNVMZCUYVXUNJJ-UHFFFAOYSA-N -1 0 304.331 1.553 50 0 DDAARM C[C@H](NC(=O)c1ccc(CCC(C)(C)O)cc1)c1nnn[n-]1 ZINC000072432396 191164291 /nfs/dbraw/zinc/16/42/91/191164291.db2.gz RWAWOEQBQRPTIB-JTQLQIEISA-N -1 0 303.366 1.394 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCCCC1 ZINC000084543879 304031901 /nfs/dbraw/zinc/03/19/01/304031901.db2.gz AOKCURVONOVXOX-LBPRGKRZSA-N -1 0 322.405 1.681 50 0 DDAARM CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000003282596 181000108 /nfs/dbraw/zinc/00/01/08/181000108.db2.gz SCFAIJDLVZQJNW-OANVXVOSSA-N -1 0 315.416 1.783 50 0 DDAARM CC(C)(C)n1nc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C1CC1 ZINC000236770455 202001307 /nfs/dbraw/zinc/00/13/07/202001307.db2.gz KXEPRIBEOAGTKR-ZDUSSCGKSA-N -1 0 321.377 1.441 50 0 DDAARM C[C@@H]1C[C@@H](C)CN(Cc2csc([N-]S(C)(=O)=O)n2)C1 ZINC000195568208 354297439 /nfs/dbraw/zinc/29/74/39/354297439.db2.gz QWBCHKULMRBINZ-NXEZZACHSA-N -1 0 303.453 1.993 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]C(=O)c2cccnc2)cc(C)c1F ZINC000195576450 354298609 /nfs/dbraw/zinc/29/86/09/354298609.db2.gz TWMSCVWAOLXPOS-UHFFFAOYSA-N -1 0 308.334 1.956 50 0 DDAARM Cn1c(SCCC(=O)[O-])nnc1-c1ccc2c(c1)OCO2 ZINC000004476128 181111971 /nfs/dbraw/zinc/11/19/71/181111971.db2.gz DNOKHVDZEOPQDS-UHFFFAOYSA-N -1 0 307.331 1.778 50 0 DDAARM CC(C)(C)c1nc(S(=O)(=O)[C@@H](C(N)=O)c2ccccc2)n[nH]1 ZINC000585136337 354812171 /nfs/dbraw/zinc/81/21/71/354812171.db2.gz AYLBTWLGDCZIKG-SNVBAGLBSA-N -1 0 322.390 1.103 50 0 DDAARM O=C([O-])[C@H](Cc1ccco1)[P@](=O)([O-])C[NH+]1CCCCC1 ZINC000004858047 181164368 /nfs/dbraw/zinc/16/43/68/181164368.db2.gz JSZZIJUIFCDBLV-LBPRGKRZSA-N -1 0 301.279 1.989 50 0 DDAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CC=CCC1 ZINC000237308365 202226471 /nfs/dbraw/zinc/22/64/71/202226471.db2.gz KOXAHDNPRRERPB-GFCCVEGCSA-N -1 0 308.378 1.124 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 ZINC000238060242 202432570 /nfs/dbraw/zinc/43/25/70/202432570.db2.gz RSHRXZRKZCRSOP-AWEZNQCLSA-N -1 0 315.329 1.188 50 0 DDAARM CNc1nc(C)c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)s1 ZINC000091988543 193137707 /nfs/dbraw/zinc/13/77/07/193137707.db2.gz ZWTRRIWOZXLHMD-VHSXEESVSA-N -1 0 309.391 1.676 50 0 DDAARM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262149393 203211703 /nfs/dbraw/zinc/21/17/03/203211703.db2.gz OILIGJYOAYSEBV-VHSXEESVSA-N -1 0 315.322 1.030 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000262688142 203382285 /nfs/dbraw/zinc/38/22/85/203382285.db2.gz FEITXMFYJMWRDY-AGIUHOORSA-N -1 0 317.341 1.637 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000262662847 203370469 /nfs/dbraw/zinc/37/04/69/203370469.db2.gz UTQRGCXUSJHVLW-UONOGXRCSA-N -1 0 316.357 1.128 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000263438981 203467659 /nfs/dbraw/zinc/46/76/59/203467659.db2.gz PGVSUOVKWKXCGQ-LBPRGKRZSA-N -1 0 314.345 1.529 50 0 DDAARM Cc1noc(CCCC(=O)NC2(C(=O)[O-])CCC(C)CC2)n1 ZINC000095956987 193458487 /nfs/dbraw/zinc/45/84/87/193458487.db2.gz JXQAYYVVLJNYQS-UHFFFAOYSA-N -1 0 309.366 1.850 50 0 DDAARM Cc1ccccc1C[C@H](CNC(=O)[C@@]1(C)CCCO1)C(=O)[O-] ZINC000095970675 193467287 /nfs/dbraw/zinc/46/72/87/193467287.db2.gz OWOQSXSNOMZUJR-RHSMWYFYSA-N -1 0 305.374 1.924 50 0 DDAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1C1(c2ccccc2)CC1 ZINC000097631963 193741587 /nfs/dbraw/zinc/74/15/87/193741587.db2.gz YNRBFMKJKXRKFJ-GFCCVEGCSA-N -1 0 313.357 1.947 50 0 DDAARM CCc1ccc(NC(=O)CS(=O)(=O)CCCC(=O)[O-])cc1 ZINC000020376469 182213095 /nfs/dbraw/zinc/21/30/95/182213095.db2.gz CFUPLSNORRRYGR-UHFFFAOYSA-N -1 0 313.375 1.467 50 0 DDAARM O=C([O-])c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1 ZINC000021157334 182267579 /nfs/dbraw/zinc/26/75/79/182267579.db2.gz PGGBHSPPAYFMTD-UHFFFAOYSA-N -1 0 309.285 1.613 50 0 DDAARM CCOC(=O)[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000021847990 182294901 /nfs/dbraw/zinc/29/49/01/182294901.db2.gz CEYJVLFJSHAPHS-SNVBAGLBSA-N -1 0 321.402 1.760 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2sccc2-n2cccc2)CCO1 ZINC000043701209 183381644 /nfs/dbraw/zinc/38/16/44/183381644.db2.gz GTYZMJWIVIXYSW-LLVKDONJSA-N -1 0 306.343 1.464 50 0 DDAARM C[C@H](CNC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000268905810 207074065 /nfs/dbraw/zinc/07/40/65/207074065.db2.gz NCHALQAHSSXUSH-MRVPVSSYSA-N -1 0 313.737 1.491 50 0 DDAARM COc1ccccc1[C@H](C)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000268932494 207096986 /nfs/dbraw/zinc/09/69/86/207096986.db2.gz AQKJTNNFOFQVCH-OLZOCXBDSA-N -1 0 321.373 1.891 50 0 DDAARM CCCOc1ccc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000269002560 207159095 /nfs/dbraw/zinc/15/90/95/207159095.db2.gz ZPNCNZHKGFXPAZ-OAHLLOKOSA-N -1 0 321.373 1.720 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000269104852 207244265 /nfs/dbraw/zinc/24/42/65/207244265.db2.gz BWIFCOHLFXDHHH-BXUZGUMPSA-N -1 0 307.346 1.676 50 0 DDAARM O=C([O-])c1nnn(-c2ccc3c(c2)OCCO3)c1-c1ccccn1 ZINC000065288240 184322768 /nfs/dbraw/zinc/32/27/68/184322768.db2.gz LBQLHOAUDXKACG-UHFFFAOYSA-N -1 0 324.296 1.799 50 0 DDAARM C[C@@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)[C@H]1C(=O)[O-] ZINC000263011735 296382190 /nfs/dbraw/zinc/38/21/90/296382190.db2.gz BYEBVHQBBMWJRW-BXKDBHETSA-N -1 0 305.334 1.503 50 0 DDAARM O=C([O-])c1cccc(CC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000263296284 304259178 /nfs/dbraw/zinc/25/91/78/304259178.db2.gz SNQMXUKIDVXGFL-RHSMWYFYSA-N -1 0 319.357 1.382 50 0 DDAARM COc1ccc(CNC(=O)CC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299751785 533578383 /nfs/dbraw/zinc/57/83/83/533578383.db2.gz RRXXOXHJNZEBJG-GFCCVEGCSA-N -1 0 307.346 1.969 50 0 DDAARM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1 ZINC000568398394 304291655 /nfs/dbraw/zinc/29/16/55/304291655.db2.gz XAAROMJOGXAYNQ-RYUDHWBXSA-N -1 0 304.350 1.496 50 0 DDAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]Cc3ccccc3)nc2n1 ZINC000000091838 406620569 /nfs/dbraw/zinc/62/05/69/406620569.db2.gz FHDCJIZSFGLPEX-UHFFFAOYSA-N -1 0 317.374 1.220 50 0 DDAARM Cc1cc(=O)oc2cc(NC(=O)CSCC(=O)[O-])ccc12 ZINC000000153897 406626088 /nfs/dbraw/zinc/62/60/88/406626088.db2.gz ZBJNBQQDRVSRNP-UHFFFAOYSA-N -1 0 307.327 1.858 50 0 DDAARM COc1cc([O-])c(C(=O)c2ccccc2)cc1S(=O)(=O)[O-] ZINC000001690324 406675197 /nfs/dbraw/zinc/67/51/97/406675197.db2.gz CXVGEDCSTKKODG-UHFFFAOYSA-N -1 0 308.311 1.879 50 0 fda DDAARM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=S)NCc1ccccc1 ZINC000002290695 406683384 /nfs/dbraw/zinc/68/33/84/406683384.db2.gz VVJPSFQYFNALGR-GFCCVEGCSA-N -1 0 304.375 1.070 50 0 DDAARM OC(=Cc1[nH]c([S-])nc1O)c1ccc(Br)cc1 ZINC000003056912 406711029 /nfs/dbraw/zinc/71/10/29/406711029.db2.gz AREVHGLWNYGHSY-MRVPVSSYSA-N -1 0 313.176 1.395 50 0 DDAARM O=c1nc(CSc2nnnn2C2CC2)[n-]c2ccsc21 ZINC000010213384 406818300 /nfs/dbraw/zinc/81/83/00/406818300.db2.gz BKVWGAZKOUJGFR-UHFFFAOYSA-N -1 0 306.376 1.598 50 0 DDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000012417936 406845505 /nfs/dbraw/zinc/84/55/05/406845505.db2.gz UXAHIECSCRQIBJ-ABAIWWIYSA-N -1 0 323.345 1.324 50 0 DDAARM CC(C)(C)OC(=O)NCCN(CC(=O)[O-])C(=O)OC(C)(C)C ZINC000035964992 406976003 /nfs/dbraw/zinc/97/60/03/406976003.db2.gz DFWRBBNIVJZTJX-UHFFFAOYSA-N -1 0 318.370 1.833 50 0 DDAARM CCO[N-]C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000032848318 406954634 /nfs/dbraw/zinc/95/46/34/406954634.db2.gz OXGBAVKONCWYGY-LBPRGKRZSA-N -1 0 316.354 1.047 50 0 DDAARM CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047059887 407069968 /nfs/dbraw/zinc/06/99/68/407069968.db2.gz VUTKYZWYMDZLGX-SSDOTTSWSA-N -1 0 320.374 1.252 50 0 DDAARM CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)c1 ZINC000055340959 407201537 /nfs/dbraw/zinc/20/15/37/407201537.db2.gz DXGXZBHZVJJIGS-LURJTMIESA-N -1 0 323.740 1.201 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2nccn2C)c(OC)n1 ZINC000095365572 407210086 /nfs/dbraw/zinc/21/00/86/407210086.db2.gz SSHZLMSGAJHAHW-CYBMUJFWSA-N -1 0 320.349 1.090 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1cccc(-n2cccn2)c1 ZINC000095424438 407213532 /nfs/dbraw/zinc/21/35/32/407213532.db2.gz GSBDNXZNEXIWJC-UHFFFAOYSA-N -1 0 303.318 1.046 50 0 DDAARM C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nnn[n-]1 ZINC000095942101 407215255 /nfs/dbraw/zinc/21/52/55/407215255.db2.gz YUVPOEVWIAAKRE-SSDOTTSWSA-N -1 0 314.176 1.969 50 0 DDAARM Cc1ccccc1[N-]S(=O)(=O)c1cc2n(c1)CCCNC2=O ZINC000065258625 407241028 /nfs/dbraw/zinc/24/10/28/407241028.db2.gz NQRRJJJJZGHRMK-UHFFFAOYSA-N -1 0 319.386 1.731 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000067675060 407279729 /nfs/dbraw/zinc/27/97/29/407279729.db2.gz QPBSTTFATJIRTF-ZDUSSCGKSA-N -1 0 315.329 1.517 50 0 DDAARM C[C@H](O)Cn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100453189 407307939 /nfs/dbraw/zinc/30/79/39/407307939.db2.gz OKSRUSRDMBOQMK-LURJTMIESA-N -1 0 315.192 1.829 50 0 DDAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1OC ZINC000101347820 407309068 /nfs/dbraw/zinc/30/90/68/407309068.db2.gz RIMXWXWJEIXQTD-LLVKDONJSA-N -1 0 316.317 1.669 50 0 DDAARM CCCc1cc(=O)n2nc(NC(=O)Cc3ccccc3)[n-]c2n1 ZINC000101385862 407309405 /nfs/dbraw/zinc/30/94/05/407309405.db2.gz BWQRXIFBCPFVCM-UHFFFAOYSA-N -1 0 311.345 1.551 50 0 DDAARM Cn1cc(N2CCN(C(=O)c3ccc(F)cc3[O-])CC2)cn1 ZINC000123996246 407344881 /nfs/dbraw/zinc/34/48/81/407344881.db2.gz APCRLXNDKHTGOW-UHFFFAOYSA-N -1 0 304.325 1.227 50 0 DDAARM Cc1nc(CN(C)Cc2ccc(O[C@H](C)C(=O)[O-])cc2)no1 ZINC000215385351 407484969 /nfs/dbraw/zinc/48/49/69/407484969.db2.gz IQTMIDVCUOSFDV-SNVBAGLBSA-N -1 0 305.334 1.862 50 0 DDAARM O=c1nc(CN2Cc3cnn(CCO)c3C2)[n-]c2ccsc21 ZINC000253537250 407456131 /nfs/dbraw/zinc/45/61/31/407456131.db2.gz HDLWJZCZDXJHJQ-UHFFFAOYSA-N -1 0 317.374 1.102 50 0 DDAARM NC(=O)Nc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000261617528 407554173 /nfs/dbraw/zinc/55/41/73/407554173.db2.gz AHHPKYOOKNNYSM-NSHDSACASA-N -1 0 319.361 1.894 50 0 DDAARM CCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])s1 ZINC000219134210 407529304 /nfs/dbraw/zinc/52/93/04/407529304.db2.gz VPNAUNCHUXJBLE-GHMZBOCLSA-N -1 0 313.375 1.299 50 0 DDAARM COc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)[O-])[nH]n2)cc1 ZINC000219632358 407532741 /nfs/dbraw/zinc/53/27/41/407532741.db2.gz IECDALSZJYZTGU-AWEZNQCLSA-N -1 0 315.329 1.775 50 0 DDAARM Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)c2cc(=O)[n-]o2)cn1 ZINC000220580027 407540201 /nfs/dbraw/zinc/54/02/01/407540201.db2.gz LMGWRDXNMDDHIK-YPMHNXCESA-N -1 0 319.317 1.050 50 0 DDAARM CCOc1ccccc1S(=O)(=O)[N-]c1cnc2ccnn2c1 ZINC000225576001 407597789 /nfs/dbraw/zinc/59/77/89/407597789.db2.gz HRHWHEQJQTXUGL-UHFFFAOYSA-N -1 0 318.358 1.929 50 0 DDAARM CC(=O)N1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CC1 ZINC000236576479 407726651 /nfs/dbraw/zinc/72/66/51/407726651.db2.gz YTLPHCFJUMKSRY-QPJJXVBHSA-N -1 0 302.330 1.089 50 0 DDAARM CC(C)c1nc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])co1 ZINC000244852634 407941638 /nfs/dbraw/zinc/94/16/38/407941638.db2.gz UWBGWVNHYOYENE-GFCCVEGCSA-N -1 0 321.377 1.353 50 0 DDAARM O=C(CNC(=O)c1ccc2[n-]c(=S)oc2c1)OCC1CC1 ZINC000118784372 407943460 /nfs/dbraw/zinc/94/34/60/407943460.db2.gz JUXINDMUQOPXIU-UHFFFAOYSA-N -1 0 306.343 1.800 50 0 DDAARM Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)nc(C(F)(F)F)n1 ZINC000263090920 408020263 /nfs/dbraw/zinc/02/02/63/408020263.db2.gz HUCDJKISHYVRGI-MRVPVSSYSA-N -1 0 305.256 1.643 50 0 DDAARM C[C@@H](Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)cc1)C(=O)[O-] ZINC000191405747 408419203 /nfs/dbraw/zinc/41/92/03/408419203.db2.gz GTAGXJHVGNBXCY-JTQLQIEISA-N -1 0 315.329 1.296 50 0 DDAARM CC[C@@H]1C(=O)NCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237068108 286981463 /nfs/dbraw/zinc/98/14/63/286981463.db2.gz WUAWVALIINBMOS-CYBMUJFWSA-N -1 0 304.346 1.054 50 0 DDAARM CC(C)S(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299751633 410603908 /nfs/dbraw/zinc/60/39/08/410603908.db2.gz RBWHFRSOYFWSKM-UTUOFQBUSA-N -1 0 317.407 1.054 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000299786912 410627040 /nfs/dbraw/zinc/62/70/40/410627040.db2.gz RTEDNHYJEWUWPA-CABCVRRESA-N -1 0 318.373 1.337 50 0 DDAARM O=C([O-])C[C@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299801845 410638617 /nfs/dbraw/zinc/63/86/17/410638617.db2.gz ZROSFABBRRIQGR-SFHVURJKSA-N -1 0 324.336 1.753 50 0 DDAARM O=C([O-])COc1ccc([C@@H]2C(=O)Oc3ccc(O)cc32)cc1 ZINC000135649012 196496205 /nfs/dbraw/zinc/49/62/05/196496205.db2.gz NBBYFOPVKOJDOH-HNNXBMFYSA-N -1 0 300.266 1.907 50 0 DDAARM C[C@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccc(Cl)s1 ZINC000044916422 418432014 /nfs/dbraw/zinc/43/20/14/418432014.db2.gz PIHFFLLJHITFSY-ZETCQYMHSA-N -1 0 313.766 1.541 50 0 DDAARM Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000408515689 418806055 /nfs/dbraw/zinc/80/60/55/418806055.db2.gz ZSKSRMVRQWIPKI-UHFFFAOYSA-N -1 0 305.718 2.159 50 0 DDAARM Cc1nnc(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)s1 ZINC000426491547 419487122 /nfs/dbraw/zinc/48/71/22/419487122.db2.gz PNAZQEUJFMGHHP-LLVKDONJSA-N -1 0 321.406 1.507 50 0 DDAARM Cc1cccn2c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)cnc12 ZINC000426545378 419501804 /nfs/dbraw/zinc/50/18/04/419501804.db2.gz RQGOOBANRZFFOB-LBPRGKRZSA-N -1 0 301.346 1.508 50 0 DDAARM Cc1cccc(O[C@H](C)C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299752949 229396424 /nfs/dbraw/zinc/39/64/24/229396424.db2.gz WCTCETMLLDEROT-CYBMUJFWSA-N -1 0 321.373 1.855 50 0 DDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCc3ccccc32)C1 ZINC000630252905 421990374 /nfs/dbraw/zinc/99/03/74/421990374.db2.gz QGKKUCMMSIYYBE-YOEHRIQHSA-N -1 0 303.358 1.809 50 0 DDAARM CC(=O)N(C)C1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000237286197 277960357 /nfs/dbraw/zinc/96/03/57/277960357.db2.gz RURUCJYOUGWTLD-UHFFFAOYSA-N -1 0 304.346 1.468 50 0 DDAARM CC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000013341220 278251678 /nfs/dbraw/zinc/25/16/78/278251678.db2.gz RZAVLYDYOJAJOT-ZDUSSCGKSA-N -1 0 311.359 1.517 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)CC1 ZINC000390822237 278390464 /nfs/dbraw/zinc/39/04/64/278390464.db2.gz ZEGMJZKGUPCLQP-SNVBAGLBSA-N -1 0 310.354 1.938 50 0 DDAARM CC1(C)C[C@@H](NC(=O)C2(C(=O)[O-])CC2)c2cc(N)ccc2O1 ZINC000408521633 281303382 /nfs/dbraw/zinc/30/33/82/281303382.db2.gz FHZYJXPLRNGPKH-LLVKDONJSA-N -1 0 304.346 1.852 50 0 DDAARM Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000020607268 301146250 /nfs/dbraw/zinc/14/62/50/301146250.db2.gz HBCBDBLSKJQBLL-KWQFWETISA-N -1 0 316.361 1.228 50 0 DDAARM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000516837638 302797629 /nfs/dbraw/zinc/79/76/29/302797629.db2.gz PITDTRJEVCWMNM-JTQLQIEISA-N -1 0 323.292 1.639 50 0 DDAARM Cn1nnc(-c2ccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)n1 ZINC000071285026 303104731 /nfs/dbraw/zinc/10/47/31/303104731.db2.gz NDOMSNUSYAYMSP-WDEREUQCSA-N -1 0 315.333 1.172 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1cccc(-c2cn[nH]c2)c1 ZINC000534574534 334287509 /nfs/dbraw/zinc/28/75/09/334287509.db2.gz FTPAAUUKZBAWAP-UHFFFAOYSA-N -1 0 303.318 1.250 50 0 DDAARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000083888595 483986179 /nfs/dbraw/zinc/98/61/79/483986179.db2.gz IACZAPQHUMCRKB-YPMHNXCESA-N -1 0 302.330 1.649 50 0 DDAARM CC(C)Cn1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC000663128583 484690091 /nfs/dbraw/zinc/69/00/91/484690091.db2.gz NEMMRIPCASZDCY-UHFFFAOYSA-N -1 0 319.365 1.808 50 0 DDAARM Cc1csc(CN(C)Cc2cc(=O)n3nc(C)[n-]c3n2)n1 ZINC000670443015 484833112 /nfs/dbraw/zinc/83/31/12/484833112.db2.gz XTJFKRWWPBLWCN-UHFFFAOYSA-N -1 0 304.379 1.535 50 0 DDAARM C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000668282179 485075323 /nfs/dbraw/zinc/07/53/23/485075323.db2.gz MHHJYDGZSXPJDJ-SWLSCSKDSA-N -1 0 321.373 1.924 50 0 DDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000299747585 533742790 /nfs/dbraw/zinc/74/27/90/533742790.db2.gz DGSYVWGPDPCRMH-MJBXVCDLSA-N -1 0 305.330 1.111 50 0 DDAARM COc1ccccc1C[C@@H](C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299749659 534099822 /nfs/dbraw/zinc/09/98/22/534099822.db2.gz LEZRLEFNTXAZKO-IUODEOHRSA-N -1 0 321.373 1.576 50 0 DDAARM COc1ccccc1C[C@H](C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299749660 534111796 /nfs/dbraw/zinc/11/17/96/534111796.db2.gz LEZRLEFNTXAZKO-SWLSCSKDSA-N -1 0 321.373 1.576 50 0 DDAARM Cc1ncc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)s1 ZINC000328595241 534724489 /nfs/dbraw/zinc/72/44/89/534724489.db2.gz OULBLZUFMKKRIH-NSCUHMNNSA-N -1 0 310.375 1.557 50 0 DDAARM CC(C)(NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000299382519 527285558 /nfs/dbraw/zinc/28/55/58/527285558.db2.gz WVWHDUSKIFSRMI-ZDUSSCGKSA-N -1 0 307.346 1.837 50 0 DDAARM O=C([O-])C1(C(=O)N2CCC(CN3CCCCC3=O)CC2)CC1 ZINC000154901826 527551193 /nfs/dbraw/zinc/55/11/93/527551193.db2.gz HLRDFWCJCYOZBE-UHFFFAOYSA-N -1 0 308.378 1.102 50 0 DDAARM CC(=O)N1CCN([C@H](C(=O)[O-])c2cc(C)ccc2Cl)CC1 ZINC000095362993 696602772 /nfs/dbraw/zinc/60/27/72/696602772.db2.gz ZVQRYMYCNNJVPM-AWEZNQCLSA-N -1 0 310.781 1.938 50 0 DDAARM Cc1cccc(S(=O)(=O)[N-]C(=O)/C=C/c2ccccn2)c1 ZINC000095976153 696603518 /nfs/dbraw/zinc/60/35/18/696603518.db2.gz UCCXGIUPBYMZDJ-CMDGGOBGSA-N -1 0 302.355 1.908 50 0 DDAARM Cn1nncc1/C=C(/C(=O)C(=O)[O-])c1ccc2ccccc2n1 ZINC000170655123 697348247 /nfs/dbraw/zinc/34/82/47/697348247.db2.gz NCRWXTFKQZANMX-XYOKQWHBSA-N -1 0 308.297 1.558 50 0 DDAARM COC(=O)C[C@H](c1c(C)[nH][nH]c1=O)c1ccc(C(=O)[O-])cc1 ZINC000095474069 185372887 /nfs/dbraw/zinc/37/28/87/185372887.db2.gz ODVXWZFRGZIBIO-NSHDSACASA-N -1 0 304.302 1.817 50 0 DDAARM COc1ccc(F)c(F)c1CN1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000095521087 185377431 /nfs/dbraw/zinc/37/74/31/185377431.db2.gz RTLUMFOAAGTKLZ-GFCCVEGCSA-N -1 0 323.299 1.708 50 0 DDAARM COC[C@@H](NC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C)C(=O)[O-] ZINC000095529975 185378755 /nfs/dbraw/zinc/37/87/55/185378755.db2.gz GOOJOUQMOPHBBQ-CYBMUJFWSA-N -1 0 318.373 1.851 50 0 DDAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)onc2N)c1 ZINC000072240863 191084182 /nfs/dbraw/zinc/08/41/82/191084182.db2.gz WCTZNLPTVIUHHR-UHFFFAOYSA-N -1 0 310.335 1.324 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2ccc(F)cn2)(C(=O)[O-])C1(C)C ZINC000262858062 186313902 /nfs/dbraw/zinc/31/39/02/186313902.db2.gz YMGUKWACYGNJLT-ABAIWWIYSA-N -1 0 310.325 1.609 50 0 DDAARM Cc1ccc(-c2ccnc(N3CCO[C@@H](C(=O)[O-])C3)n2)c(C)n1 ZINC000072439625 191168000 /nfs/dbraw/zinc/16/80/00/191168000.db2.gz PBNVOFNAUKMTGE-CQSZACIVSA-N -1 0 314.345 1.445 50 0 DDAARM O=C([O-])[C@@H](O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000038960264 352298451 /nfs/dbraw/zinc/29/84/51/352298451.db2.gz SRSIWDVGZPFBQS-OAHLLOKOSA-N -1 0 313.309 1.928 50 0 DDAARM CC(C)c1nc(N2CCC(C(=O)[O-])(n3cccn3)CC2)no1 ZINC000072458654 191172424 /nfs/dbraw/zinc/17/24/24/191172424.db2.gz OLFPWWBSYFQXJF-UHFFFAOYSA-N -1 0 305.338 1.470 50 0 DDAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000072458708 191173519 /nfs/dbraw/zinc/17/35/19/191173519.db2.gz LYASEPQBRDDJME-CQSZACIVSA-N -1 0 319.357 1.690 50 0 DDAARM O=C([O-])c1ccc2c(c1)C(=O)N(NC(=O)c1ccccc1)C2=O ZINC000000437618 180790734 /nfs/dbraw/zinc/79/07/34/180790734.db2.gz WUHOSIUUAUDUDL-UHFFFAOYSA-N -1 0 310.265 1.326 50 0 DDAARM Cc1ccccc1-c1cc([N-]S(=O)(=O)c2c[nH]cn2)n(C)n1 ZINC000078967733 353543746 /nfs/dbraw/zinc/54/37/46/353543746.db2.gz CRWGWPHQKGABSW-UHFFFAOYSA-N -1 0 317.374 1.919 50 0 DDAARM O=C([O-])C1=NC2=N[C@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000033837945 304036481 /nfs/dbraw/zinc/03/64/81/304036481.db2.gz SINTYOCGLUYQQO-CAHLUQPWSA-N -1 0 318.280 1.783 50 0 DDAARM NC(=O)C1CCN(C(=O)CC2(CC(=O)[O-])CCCCC2)CC1 ZINC000003306185 181002749 /nfs/dbraw/zinc/00/27/49/181002749.db2.gz KLUKXCSQIHFFKA-UHFFFAOYSA-N -1 0 310.394 1.526 50 0 DDAARM O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000004050746 181066472 /nfs/dbraw/zinc/06/64/72/181066472.db2.gz ARJWVNQRHKKYMF-SSDOTTSWSA-N -1 0 305.208 1.610 50 0 DDAARM O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)N1CCOCC1 ZINC000004196650 181083666 /nfs/dbraw/zinc/08/36/66/181083666.db2.gz LMXOVKJTSRJKPB-GFCCVEGCSA-N -1 0 312.753 1.454 50 0 DDAARM O=C([O-])CCCn1cc(NC(=O)COc2ccccc2F)cn1 ZINC000004694892 181137783 /nfs/dbraw/zinc/13/77/83/181137783.db2.gz RSQYUVCMXAITNG-UHFFFAOYSA-N -1 0 321.308 1.905 50 0 DDAARM CCC[C@@H](NC(=O)C[C@H](c1nccn1C)C(F)(F)F)C(=O)[O-] ZINC000585134755 354811907 /nfs/dbraw/zinc/81/19/07/354811907.db2.gz IXIJZQKHWWGOSA-RKDXNWHRSA-N -1 0 321.299 1.826 50 0 DDAARM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccccc1F ZINC000005483585 181248520 /nfs/dbraw/zinc/24/85/20/181248520.db2.gz FXSKFSOAQXKLDT-UHFFFAOYSA-N -1 0 319.321 1.602 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 ZINC000269047503 304084087 /nfs/dbraw/zinc/08/40/87/304084087.db2.gz UDGLTSGXAZTJCK-AAEUAGOBSA-N -1 0 305.330 1.255 50 0 DDAARM O=C(c1c([O-])cccc1F)N1CCC[C@@H](Cn2cncn2)C1 ZINC000186849776 200022054 /nfs/dbraw/zinc/02/20/54/200022054.db2.gz GIVUSTQVLMZBEG-LLVKDONJSA-N -1 0 304.325 1.675 50 0 DDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237565309 202285482 /nfs/dbraw/zinc/28/54/82/202285482.db2.gz XJUGXQGZGGCMIU-VIFPVBQESA-N -1 0 318.251 1.334 50 0 DDAARM Cc1nc(C)c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)s1 ZINC000237600083 202299225 /nfs/dbraw/zinc/29/92/25/202299225.db2.gz HFFYIFMTJIHXPC-NSHDSACASA-N -1 0 312.391 1.856 50 0 DDAARM C[C@@H](NC(=O)c1ccnc(C(=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000237582430 202292004 /nfs/dbraw/zinc/29/20/04/202292004.db2.gz HLPORVJAVSMQRO-MRVPVSSYSA-N -1 0 318.333 1.951 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237717487 202336880 /nfs/dbraw/zinc/33/68/80/202336880.db2.gz UBLXUDRYALCERM-ZDUSSCGKSA-N -1 0 323.393 1.662 50 0 DDAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000237941978 202398917 /nfs/dbraw/zinc/39/89/17/202398917.db2.gz UMQFNWRQYYRHSG-GXFFZTMASA-N -1 0 300.314 1.924 50 0 DDAARM CCN1C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CC1=O ZINC000193457971 201055634 /nfs/dbraw/zinc/05/56/34/201055634.db2.gz YZEGVLDXKOHGLY-KBPBESRZSA-N -1 0 318.373 1.577 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cnc2ccccc2c1 ZINC000263505164 304106826 /nfs/dbraw/zinc/10/68/26/304106826.db2.gz VJEXDYMCDPIDFJ-AWEZNQCLSA-N -1 0 320.370 1.863 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2nc[nH]c21 ZINC000006624126 181362278 /nfs/dbraw/zinc/36/22/78/181362278.db2.gz GKAZDIDTEUPDLX-LBPRGKRZSA-N -1 0 322.328 1.942 50 0 DDAARM O=C([O-])CCC(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000006731587 181379049 /nfs/dbraw/zinc/37/90/49/181379049.db2.gz DZCXNVYBIXBKQG-UHFFFAOYSA-N -1 0 310.781 1.849 50 0 DDAARM Cc1nc2c3ccccc3oc2c(N[C@@H](C(=O)[O-])[C@H](C)O)n1 ZINC000006861476 181398683 /nfs/dbraw/zinc/39/86/83/181398683.db2.gz JLARVDCFFCLLEY-WRWORJQWSA-N -1 0 301.302 1.930 50 0 DDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc(C)[nH]c2=O)C1 ZINC000092039015 193145305 /nfs/dbraw/zinc/14/53/05/193145305.db2.gz SRPSGBQOFUALHW-MRXNPFEDSA-N -1 0 321.377 1.114 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000262352062 203271074 /nfs/dbraw/zinc/27/10/74/203271074.db2.gz BPQVFBZANPPMQR-NGZCFLSTSA-N -1 0 322.748 1.282 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000262587587 203341699 /nfs/dbraw/zinc/34/16/99/203341699.db2.gz HBJXGAORNGSRLY-CABCVRRESA-N -1 0 303.358 1.915 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@H]2CCOc3ccccc32)CCSC1 ZINC000111185482 304164391 /nfs/dbraw/zinc/16/43/91/304164391.db2.gz RHGROOYNUNPUAN-XHDPSFHLSA-N -1 0 307.371 1.629 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](C)C1 ZINC000013073867 181826718 /nfs/dbraw/zinc/82/67/18/181826718.db2.gz UTMMMOLEZYNHRU-JTQLQIEISA-N -1 0 313.375 1.814 50 0 DDAARM COc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000013171314 181836465 /nfs/dbraw/zinc/83/64/65/181836465.db2.gz WXWXKNRCNISTNH-LBPRGKRZSA-N -1 0 307.346 1.570 50 0 DDAARM CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013263066 181840123 /nfs/dbraw/zinc/84/01/23/181840123.db2.gz FQLCHGSRMXCJCN-LBPRGKRZSA-N -1 0 311.359 1.375 50 0 DDAARM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000019685902 182136817 /nfs/dbraw/zinc/13/68/17/182136817.db2.gz GQRRZZQUSCMWEL-JTQLQIEISA-N -1 0 301.339 1.701 50 0 DDAARM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088376298 296210136 /nfs/dbraw/zinc/21/01/36/296210136.db2.gz XMHMHCHSYVZVPS-KOLCDFICSA-N -1 0 313.737 1.419 50 0 DDAARM CCCn1c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2oc1=O ZINC000021932406 182298526 /nfs/dbraw/zinc/29/85/26/182298526.db2.gz XLKGDJDAIYTTOV-UHFFFAOYSA-N -1 0 322.346 1.528 50 0 DDAARM Cc1cc(C(=O)[N-]S(C)(=O)=O)c(C)n1Cc1ccccc1 ZINC000042279462 183249607 /nfs/dbraw/zinc/24/96/07/183249607.db2.gz WEBICJYXIPJQGL-UHFFFAOYSA-N -1 0 306.387 1.843 50 0 DDAARM Cc1cc(Cl)ccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043701443 183381894 /nfs/dbraw/zinc/38/18/94/183381894.db2.gz JGMLXEFJHFXELN-LBPRGKRZSA-N -1 0 313.737 1.339 50 0 DDAARM C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043701429 183381956 /nfs/dbraw/zinc/38/19/56/183381956.db2.gz RUDBRVUIELGVMU-JOYOIKCWSA-N -1 0 313.737 1.419 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)CCO1 ZINC000049864801 183761070 /nfs/dbraw/zinc/76/10/70/183761070.db2.gz OFGAMNCNMYKILX-HDMKULJXSA-N -1 0 301.751 1.727 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000268921623 207088169 /nfs/dbraw/zinc/08/81/69/207088169.db2.gz SUIOFQCBMLWELO-KBPBESRZSA-N -1 0 316.357 1.146 50 0 DDAARM O=C([O-])C1CCC(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000268936652 207100485 /nfs/dbraw/zinc/10/04/85/207100485.db2.gz ORYQIQTWZFHZCP-GCZXYKMCSA-N -1 0 316.357 1.872 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000268929806 207095389 /nfs/dbraw/zinc/09/53/89/207095389.db2.gz XWYWWDMKBZWVAS-KGLIPLIRSA-N -1 0 316.357 1.146 50 0 DDAARM COCCOc1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000269028509 207177037 /nfs/dbraw/zinc/17/70/37/207177037.db2.gz LEJUZZHSOGLOFL-MRXNPFEDSA-N -1 0 307.346 1.649 50 0 DDAARM CCO[C@H]1C[C@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000269036996 207184074 /nfs/dbraw/zinc/18/40/74/207184074.db2.gz OVDCUBBTHHISCX-KGLIPLIRSA-N -1 0 307.346 1.234 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(CCc2csc(-c3cccnc3)n2)C1 ZINC000065407739 184339108 /nfs/dbraw/zinc/33/91/08/184339108.db2.gz LVKLVKSGGFSICA-NSHDSACASA-N -1 0 317.370 1.681 50 0 DDAARM Cc1cc(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)on1 ZINC000065490222 184353874 /nfs/dbraw/zinc/35/38/74/184353874.db2.gz YRKGTXGXIWQTRT-UHFFFAOYSA-N -1 0 316.342 1.438 50 0 DDAARM O=C([O-])c1n[nH]cc1[C@@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21 ZINC000067473020 184469048 /nfs/dbraw/zinc/46/90/48/184469048.db2.gz ZZDXBUHNYVACIH-ZETCQYMHSA-N -1 0 301.306 1.573 50 0 DDAARM O=C([O-])c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)c1 ZINC000007929554 304263156 /nfs/dbraw/zinc/26/31/56/304263156.db2.gz TXFFOBNCBSJCGE-GIVNFFOOSA-N -1 0 301.298 1.521 50 0 DDAARM Cc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)[O-])cs2)o1 ZINC000268977086 257257581 /nfs/dbraw/zinc/25/75/81/257257581.db2.gz KGKSFSKKRBGXIH-JTQLQIEISA-N -1 0 322.342 1.637 50 0 DDAARM COc1ccc(CNC(=O)COC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299753305 533587111 /nfs/dbraw/zinc/58/71/11/533587111.db2.gz XTCUUAVOVANTCC-GFCCVEGCSA-N -1 0 323.345 1.205 50 0 DDAARM O=C([O-])Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1 ZINC000000248566 406634751 /nfs/dbraw/zinc/63/47/51/406634751.db2.gz PBAKKBGQRFIRDX-UHFFFAOYSA-N -1 0 302.311 1.368 50 0 DDAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(N)=S)cc1 ZINC000000471071 406650504 /nfs/dbraw/zinc/65/05/04/406650504.db2.gz CUZPTGYANCRBTG-UHFFFAOYSA-N -1 0 319.386 1.968 50 0 DDAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001229471 406665231 /nfs/dbraw/zinc/66/52/31/406665231.db2.gz SZFZAKDXCNMLSE-UHFFFAOYSA-N -1 0 324.292 1.620 50 0 DDAARM Cc1c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cnn1C ZINC000001432200 406667975 /nfs/dbraw/zinc/66/79/75/406667975.db2.gz YTOVZRCIFZRULG-UHFFFAOYSA-N -1 0 309.347 1.301 50 0 DDAARM CC(C)C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000002154077 406685060 /nfs/dbraw/zinc/68/50/60/406685060.db2.gz GFZYVJMATFCSEX-NSHDSACASA-N -1 0 308.334 1.714 50 0 biogenic DDAARM CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)[O-])nc2c1 ZINC000002656620 406696306 /nfs/dbraw/zinc/69/63/06/406696306.db2.gz UZMXVJYFIKMHLW-UHFFFAOYSA-N -1 0 316.360 1.255 50 0 DDAARM C[C@H]1C[C@H](c2ccccc2)n2nc([N-]S(C)(=O)=O)nc2N1 ZINC000005497990 406731895 /nfs/dbraw/zinc/73/18/95/406731895.db2.gz BTBPSPJYTFUGLY-GXSJLCMTSA-N -1 0 307.379 1.443 50 0 DDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(CO)c2)c1 ZINC000007422190 406759124 /nfs/dbraw/zinc/75/91/24/406759124.db2.gz ZSKUFWGBFQIPDM-UHFFFAOYSA-N -1 0 323.370 1.997 50 0 DDAARM O=C([O-])[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc21 ZINC000003141038 406712026 /nfs/dbraw/zinc/71/20/26/406712026.db2.gz VSXIATZJERMSIY-CQSZACIVSA-N -1 0 323.308 1.479 50 0 DDAARM CC(C)n1c2nnc(-c3ccccc3)n2c2c1c(=O)nc([O-])n2C ZINC000010963633 406826164 /nfs/dbraw/zinc/82/61/64/406826164.db2.gz PYFMUVAPQJOCRK-UHFFFAOYSA-N -1 0 324.344 1.731 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000011692220 406828451 /nfs/dbraw/zinc/82/84/51/406828451.db2.gz NNAVQIWUUVVGGV-RNCFNFMXSA-N -1 0 305.334 1.654 50 0 DDAARM Cn1nnc(-c2cccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071285825 406837618 /nfs/dbraw/zinc/83/76/18/406837618.db2.gz DXYAPFKQMVPLBE-WDEREUQCSA-N -1 0 315.333 1.172 50 0 DDAARM NC(=O)c1cc(NC(=O)c2nccnc2C(=O)[O-])ccc1Cl ZINC000071288568 406837718 /nfs/dbraw/zinc/83/77/18/406837718.db2.gz QJQDVSSIFWPENE-UHFFFAOYSA-N -1 0 320.692 1.179 50 0 DDAARM COc1cc2cc(C(=O)NCC(=O)[O-])n(C)c2c(OC)c1OC ZINC000013689393 406865767 /nfs/dbraw/zinc/86/57/67/406865767.db2.gz ZYEKGRSWEYVVML-UHFFFAOYSA-N -1 0 322.317 1.019 50 0 DDAARM C[C@@]1(C(=O)NCCC(=O)[O-])CS[C@@H]2c3ccccc3C(=O)N21 ZINC000013691660 406866713 /nfs/dbraw/zinc/86/67/13/406866713.db2.gz LHWYLFQJRUVDCM-HIFRSBDPSA-N -1 0 320.370 1.237 50 0 DDAARM CCc1cc2c(ncn([N-]C(=O)c3cnn(C)c3)c2=O)s1 ZINC000014199176 406873347 /nfs/dbraw/zinc/87/33/47/406873347.db2.gz SWNOYPWXIAOONU-UHFFFAOYSA-N -1 0 303.347 1.138 50 0 DDAARM CCc1ccccc1NC(=O)C[C@@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022584877 406890663 /nfs/dbraw/zinc/89/06/63/406890663.db2.gz WSNGTUDKBVJLEL-HNNXBMFYSA-N -1 0 319.405 1.278 50 0 DDAARM C[C@@H](Cc1ccco1)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000035252751 406971391 /nfs/dbraw/zinc/97/13/91/406971391.db2.gz CSQKRABQZRDKGN-JTQLQIEISA-N -1 0 309.343 1.887 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2ncnc3[nH]cnc32)cc1 ZINC000028249465 406917117 /nfs/dbraw/zinc/91/71/17/406917117.db2.gz DDFWDHNQEDXTFD-UHFFFAOYSA-N -1 0 305.319 1.162 50 0 DDAARM O=C([O-])/C=C\C(=O)Nc1cccc(I)c1 ZINC000032654826 406951771 /nfs/dbraw/zinc/95/17/71/406951771.db2.gz IGUVMXTXEXBYJY-PLNGDYQASA-N -1 0 317.082 1.871 50 0 DDAARM COCCOc1ccc([N-]S(=O)(=O)c2cccnc2)cn1 ZINC000078556751 407034111 /nfs/dbraw/zinc/03/41/11/407034111.db2.gz LGZDYTDJSLZUBY-UHFFFAOYSA-N -1 0 309.347 1.303 50 0 DDAARM CCC[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1nnn[n-]1 ZINC000084740417 407094668 /nfs/dbraw/zinc/09/46/68/407094668.db2.gz MQGNUAQEXFPMRV-NEPJUHHUSA-N -1 0 301.350 1.723 50 0 DDAARM C[C@H](CNC(=O)c1cnc(Nc2ccccc2)nc1)C(=O)[O-] ZINC000095356141 407208512 /nfs/dbraw/zinc/20/85/12/407208512.db2.gz GYWJDNFYSZPZLW-SNVBAGLBSA-N -1 0 300.318 1.671 50 0 DDAARM Cc1ccc([C@@H](C(=O)[O-])N2CCOCC2)c(-n2cccn2)c1 ZINC000095383386 407212323 /nfs/dbraw/zinc/21/23/23/407212323.db2.gz UIPITQQXFBVGSR-HNNXBMFYSA-N -1 0 301.346 1.639 50 0 DDAARM O=C([O-])CN(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000063847734 407236473 /nfs/dbraw/zinc/23/64/73/407236473.db2.gz QSLLLDGFLMFABF-UHFFFAOYSA-N -1 0 300.314 1.897 50 0 DDAARM CC(=O)N1C[C@H]2CN(c3nnc(C(C)C)s3)C[C@@]2(C(=O)[O-])C1 ZINC000096153482 407241420 /nfs/dbraw/zinc/24/14/20/407241420.db2.gz REDZCJFVESQVMR-HZMBPMFUSA-N -1 0 324.406 1.031 50 0 DDAARM O=S(=O)([N-]c1cccn2nc(C3CC3)nc12)c1cccnc1 ZINC000065283998 407242378 /nfs/dbraw/zinc/24/23/78/407242378.db2.gz UVHJNOJANAWCOK-UHFFFAOYSA-N -1 0 315.358 1.803 50 0 DDAARM O=C1NCCc2ccc(S(=O)(=O)[N-]c3ccsc3)cc21 ZINC000096435734 407265737 /nfs/dbraw/zinc/26/57/37/407265737.db2.gz JUUXKTQNXNFNEB-UHFFFAOYSA-N -1 0 308.384 1.835 50 0 DDAARM NS(=O)(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000096496893 407273583 /nfs/dbraw/zinc/27/35/83/407273583.db2.gz KHQMAPHXMJWTSQ-SSDOTTSWSA-N -1 0 320.239 1.685 50 0 DDAARM Cc1ncccc1C(=O)N1CCc2c(c(C(=O)[O-])nn2C)C1 ZINC000067756849 407283707 /nfs/dbraw/zinc/28/37/07/407283707.db2.gz FNDXBKINLXNQEX-UHFFFAOYSA-N -1 0 300.318 1.020 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H](C)n3cncn3)c12 ZINC000067909906 407290564 /nfs/dbraw/zinc/29/05/64/407290564.db2.gz WZSLXMCUCBEBPT-ZETCQYMHSA-N -1 0 318.362 1.963 50 0 DDAARM O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000100480065 407307947 /nfs/dbraw/zinc/30/79/47/407307947.db2.gz AISZJTPLQRGKDX-PHIMTYICSA-N -1 0 315.366 1.995 50 0 DDAARM O=C([O-])c1ccccc1CN1CCCn2nc(CO)cc2C1 ZINC000217537659 407504518 /nfs/dbraw/zinc/50/45/18/407504518.db2.gz VYLWJHHLRSBPGV-UHFFFAOYSA-N -1 0 301.346 1.480 50 0 DDAARM COCCS(=O)(=O)[N-]C(=O)c1cnc2ccccc2c1C ZINC000225451209 407587583 /nfs/dbraw/zinc/58/75/83/407587583.db2.gz OJYGTPTXUIRSJJ-UHFFFAOYSA-N -1 0 308.359 1.249 50 0 DDAARM O=C([O-])CN1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000218789709 407524459 /nfs/dbraw/zinc/52/44/59/407524459.db2.gz SKSBVCBISRBGEL-HNNXBMFYSA-N -1 0 301.346 1.059 50 0 DDAARM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1cccnc1 ZINC000227161548 407629122 /nfs/dbraw/zinc/62/91/22/407629122.db2.gz XADIKAPKKNUBSN-UHFFFAOYSA-N -1 0 305.315 1.625 50 0 DDAARM Cc1nc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)ccc1C#N ZINC000262018040 407715169 /nfs/dbraw/zinc/71/51/69/407715169.db2.gz XHLARMSSKWEHLB-GFCCVEGCSA-N -1 0 301.346 1.979 50 0 DDAARM CC(C)CN(CC(F)(F)F)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000236652864 407740254 /nfs/dbraw/zinc/74/02/54/407740254.db2.gz JENUHPZYYSVRJI-JTQLQIEISA-N -1 0 310.316 1.582 50 0 DDAARM COc1cc(CNC(=O)/C=C/c2cnn(C)c2)ccc1C(=O)[O-] ZINC000153617085 407860451 /nfs/dbraw/zinc/86/04/51/407860451.db2.gz RSDAXPMDVNNQGQ-GQCTYLIASA-N -1 0 315.329 1.457 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCO1 ZINC000238058767 407882395 /nfs/dbraw/zinc/88/23/95/407882395.db2.gz OOKKTHODQLMRTQ-VIFPVBQESA-N -1 0 306.293 1.623 50 0 DDAARM O=C([O-])CN(C(=O)CCN1C(=O)CCc2ccccc21)C1CC1 ZINC000238070019 407883624 /nfs/dbraw/zinc/88/36/24/407883624.db2.gz WUMGDHMLNMOTQH-UHFFFAOYSA-N -1 0 316.357 1.432 50 0 DDAARM COc1ccccc1CCC(=O)N1CCC(c2nnn[n-]2)CC1 ZINC000244718765 407936106 /nfs/dbraw/zinc/93/61/06/407936106.db2.gz LQJNOICLJAWSJT-UHFFFAOYSA-N -1 0 315.377 1.547 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)CCO1 ZINC000263071216 408016563 /nfs/dbraw/zinc/01/65/63/408016563.db2.gz ZSBUVCIOCAOBQP-NSHDSACASA-N -1 0 318.354 1.736 50 0 DDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000263098267 408023031 /nfs/dbraw/zinc/02/30/31/408023031.db2.gz QXGLDOUPEMWIOH-VXGBXAGGSA-N -1 0 309.366 1.342 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1oc(C)nc1C ZINC000263339034 408112514 /nfs/dbraw/zinc/11/25/14/408112514.db2.gz OIMKLESBIFPPKD-UHFFFAOYSA-N -1 0 318.329 1.971 50 0 DDAARM Cc1cccc(CCNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000263352982 408116505 /nfs/dbraw/zinc/11/65/05/408116505.db2.gz QEXKDAIZGZPEJR-AAEUAGOBSA-N -1 0 305.378 1.685 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCO1 ZINC000178232711 408790273 /nfs/dbraw/zinc/79/02/73/408790273.db2.gz DVLBJTDQLMIPNY-CQSZACIVSA-N -1 0 300.314 1.607 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000178261302 408794959 /nfs/dbraw/zinc/79/49/59/408794959.db2.gz ZAUGKYMYZXIACQ-MRXNPFEDSA-N -1 0 302.330 1.508 50 0 DDAARM CN(C)c1cccc(C(=O)[N-]S(=O)(=O)CCC(F)(F)F)c1 ZINC000252500264 408800478 /nfs/dbraw/zinc/80/04/78/408800478.db2.gz SQJKQUXKJYVAFR-UHFFFAOYSA-N -1 0 324.324 1.765 50 0 DDAARM Cc1nonc1[N-]S(=O)(=O)c1ccccc1Br ZINC000170087100 408820246 /nfs/dbraw/zinc/82/02/46/408820246.db2.gz APUGTVWDTIYEJI-UHFFFAOYSA-N -1 0 318.152 1.941 50 0 DDAARM C[C@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)[C@H]1C(=O)[O-] ZINC000332658998 299831098 /nfs/dbraw/zinc/83/10/98/299831098.db2.gz WKKHYRKSAUTRCH-IINYFYTJSA-N -1 0 301.346 1.899 50 0 DDAARM CC1(C)Oc2ccc(NC(=O)CCCC(=O)[O-])cc2NC1=O ZINC000046088375 418445711 /nfs/dbraw/zinc/44/57/11/418445711.db2.gz ZXEVFQCKALLHRA-UHFFFAOYSA-N -1 0 306.318 1.990 50 0 DDAARM CO[N-]C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 ZINC000048346038 418470255 /nfs/dbraw/zinc/47/02/55/418470255.db2.gz IPIGINOCNJXXRM-RXMQYKEDSA-N -1 0 307.169 1.307 50 0 DDAARM NC(=O)c1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000262023712 222270422 /nfs/dbraw/zinc/27/04/22/222270422.db2.gz YBQPKXPCXBHBGT-ZDUSSCGKSA-N -1 0 304.346 1.645 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000426370879 419450592 /nfs/dbraw/zinc/45/05/92/419450592.db2.gz YRXQRJAGHBOPKU-UHFFFAOYSA-N -1 0 310.357 1.640 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)c2cccc3c2OCCO3)o1 ZINC000299743507 229382750 /nfs/dbraw/zinc/38/27/50/229382750.db2.gz NWBVDYWGDDSLSW-UHFFFAOYSA-N -1 0 303.270 1.679 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000299741413 229377546 /nfs/dbraw/zinc/37/75/46/229377546.db2.gz FSJJNRFZTHYXPV-BXKDBHETSA-N -1 0 320.370 1.423 50 0 DDAARM Cc1cnccc1C=CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000493149668 420769713 /nfs/dbraw/zinc/76/97/13/420769713.db2.gz IUNWDRBVSHRZDG-ZFDPJTLLSA-N -1 0 313.361 1.633 50 0 DDAARM CC(C)c1noc2ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc21 ZINC000521365976 421783883 /nfs/dbraw/zinc/78/38/83/421783883.db2.gz ASSBJAAONXTIPU-LLVKDONJSA-N -1 0 319.317 1.272 50 0 DDAARM C[C@H](CN(C(=O)c1ccn(C2CCOCC2)n1)C1CC1)C(=O)[O-] ZINC000630156906 421925214 /nfs/dbraw/zinc/92/52/14/421925214.db2.gz JNTNQVITUKCPAJ-LLVKDONJSA-N -1 0 321.377 1.560 50 0 DDAARM C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)[C@@H](C)O1 ZINC000630161976 421928229 /nfs/dbraw/zinc/92/82/29/421928229.db2.gz WKIOLBBWXAWAKI-JMSVASOKSA-N -1 0 321.373 1.922 50 0 DDAARM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc(Cl)cn1 ZINC000584906966 422303792 /nfs/dbraw/zinc/30/37/92/422303792.db2.gz WTDNLUNCSPINLX-LBPRGKRZSA-N -1 0 314.736 1.768 50 0 DDAARM CCn1nc(C)cc1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000648343076 423326380 /nfs/dbraw/zinc/32/63/80/423326380.db2.gz ZVSQTMCLLBMKSY-CYBMUJFWSA-N -1 0 319.336 1.949 50 0 DDAARM COc1cc(F)ccc1[C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1 ZINC000095358229 294992658 /nfs/dbraw/zinc/99/26/58/294992658.db2.gz ZBOHRYDVPVBVRL-AWEZNQCLSA-N -1 0 310.325 1.124 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000178261286 300784759 /nfs/dbraw/zinc/78/47/59/300784759.db2.gz ZAUGKYMYZXIACQ-INIZCTEOSA-N -1 0 302.330 1.508 50 0 DDAARM Cc1cc2[nH]c(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2c(C)c1 ZINC000299749339 301434181 /nfs/dbraw/zinc/43/41/81/301434181.db2.gz JZPRBKRJFFTCKX-AWEZNQCLSA-N -1 0 302.330 1.710 50 0 DDAARM Cn1ccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)n1 ZINC000340728340 302955969 /nfs/dbraw/zinc/95/59/69/302955969.db2.gz WOEDNMKIXKYPIP-UHFFFAOYSA-N -1 0 321.358 1.260 50 0 DDAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCc2ccon2)n1 ZINC000081841274 483979963 /nfs/dbraw/zinc/97/99/63/483979963.db2.gz BIOTVIUAAFJLEY-UHFFFAOYSA-N -1 0 316.292 1.943 50 0 DDAARM C[C@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000659218049 484693845 /nfs/dbraw/zinc/69/38/45/484693845.db2.gz MJIOBQLYASDVAO-XVKPBYJWSA-N -1 0 318.251 1.572 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1CCCO[C@@H]1C ZINC000668285595 485077445 /nfs/dbraw/zinc/07/74/45/485077445.db2.gz MQOLRHCUNZHLKH-BXUZGUMPSA-N -1 0 321.373 1.867 50 0 DDAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)CCCF ZINC000170014620 490680181 /nfs/dbraw/zinc/68/01/81/490680181.db2.gz KZOLIXSSWIZGQO-CYBMUJFWSA-N -1 0 315.366 1.496 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCOC[C@@H]3C(=O)[O-])c[nH]c2c1 ZINC000299746884 534376576 /nfs/dbraw/zinc/37/65/76/534376576.db2.gz BNRACDOVNSGCQR-CQSZACIVSA-N -1 0 302.330 1.331 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCn2ccccc2=O)c2ccccc21 ZINC000299742765 534524976 /nfs/dbraw/zinc/52/49/76/534524976.db2.gz KEOXDCKRSKKBTQ-CYBMUJFWSA-N -1 0 312.325 1.453 50 0 DDAARM CC(C)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000299748076 527157858 /nfs/dbraw/zinc/15/78/58/527157858.db2.gz FXMPQNJETYRISH-WDEREUQCSA-N -1 0 305.330 1.530 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000492853770 528862369 /nfs/dbraw/zinc/86/23/69/528862369.db2.gz OSNZJJMBRNDAJA-GQCTYLIASA-N -1 0 305.330 1.793 50 0 DDAARM CC(C)[C@H](C(=O)N(C)CCC(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000299752543 528909413 /nfs/dbraw/zinc/90/94/13/528909413.db2.gz UNTGKTOEEVZOTR-MBNYWOFBSA-N -1 0 300.399 1.053 50 0 DDAARM O=C([O-])C[C@H]1SC(=NN=C/C=C/c2ccccc2)NC1=O ZINC000390825665 563938085 /nfs/dbraw/zinc/93/80/85/563938085.db2.gz MDTSDNQPTIRIRQ-RLZVLQNISA-N -1 0 303.343 1.748 50 0 DDAARM O=C([O-])c1cn(C2CN(C(=O)c3cccc4c3CCC4)C2)nn1 ZINC000799244330 605536882 /nfs/dbraw/zinc/53/68/82/605536882.db2.gz OTGOOLAXAGEIRA-UHFFFAOYSA-N -1 0 312.329 1.162 50 0 DDAARM Cc1cccnc1CCNC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263314388 698499503 /nfs/dbraw/zinc/49/95/03/698499503.db2.gz ILXFTLIHLDMAAI-YPMHNXCESA-N -1 0 305.378 1.685 50 0 DDAARM CC(C)(C)OC(=O)NCC1(CC(=O)[O-])CCS(=O)(=O)CC1 ZINC000725528825 699331272 /nfs/dbraw/zinc/33/12/72/699331272.db2.gz BNRGJGOZNRVLNE-UHFFFAOYSA-N -1 0 321.395 1.181 50 0 DDAARM CC(C)(C)c1cc(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])[nH]n1 ZINC000095502137 185375003 /nfs/dbraw/zinc/37/50/03/185375003.db2.gz BEQUTUQPYMKGHM-GFCCVEGCSA-N -1 0 303.366 1.442 50 0 DDAARM Cn1cc(Br)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588556 539031506 /nfs/dbraw/zinc/03/15/06/539031506.db2.gz RULIWLHFVXYDMF-UHFFFAOYSA-N -1 0 301.140 1.477 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328591118 231233555 /nfs/dbraw/zinc/23/35/55/231233555.db2.gz RRBGEHBXIMMUJP-FUEXJSSKSA-N -1 0 303.314 1.547 50 0 DDAARM CC(C)C[C@@H](NS(=O)(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000262128536 539275501 /nfs/dbraw/zinc/27/55/01/539275501.db2.gz WMXUGHKUHRVVFY-SECBINFHSA-N -1 0 315.347 1.193 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N1CCN(c2cncc3ccccc32)CC1 ZINC000263547700 539276217 /nfs/dbraw/zinc/27/62/17/539276217.db2.gz IHKCGBMBLJJMRX-GFCCVEGCSA-N -1 0 313.357 1.604 50 0 DDAARM CC[C@@H](NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000299276389 529671124 /nfs/dbraw/zinc/67/11/24/529671124.db2.gz RDIGDAQGCBIYLK-UONOGXRCSA-N -1 0 307.346 1.837 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C ZINC000095424869 185361421 /nfs/dbraw/zinc/36/14/21/185361421.db2.gz BOIMZQNIKGLEAV-QFYYESIMSA-N -1 0 309.410 1.975 50 0 DDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1onc(C)c1C ZINC000095452253 185369163 /nfs/dbraw/zinc/36/91/63/185369163.db2.gz QPNWPTACHZYDDO-UHFFFAOYSA-N -1 0 312.395 1.951 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000071288501 190953285 /nfs/dbraw/zinc/95/32/85/190953285.db2.gz BWYKPZFFJZEABP-RYUDHWBXSA-N -1 0 300.318 1.563 50 0 DDAARM O=C([O-])c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 ZINC000000322307 180759314 /nfs/dbraw/zinc/75/93/14/180759314.db2.gz BYQQQMIJDLCOPJ-UHFFFAOYSA-N -1 0 324.292 1.620 50 0 DDAARM COc1ccc(CCNC(=O)N[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000002105383 180910339 /nfs/dbraw/zinc/91/03/39/180910339.db2.gz YJOKITQTAGHBMF-AWEZNQCLSA-N -1 0 324.377 1.655 50 0 biogenic DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccccc1Cl ZINC000002620224 180940212 /nfs/dbraw/zinc/94/02/12/180940212.db2.gz MOUSWKSFMZFOSK-SNVBAGLBSA-N -1 0 303.767 1.968 50 0 DDAARM CCOC(=O)C(C=Nc1ccc(C(=O)[O-])cn1)C(=O)OCC ZINC000003126480 180983469 /nfs/dbraw/zinc/98/34/69/180983469.db2.gz GHWHVHIRXRKLLC-UHFFFAOYSA-N -1 0 308.290 1.202 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 ZINC000003883167 181052365 /nfs/dbraw/zinc/05/23/65/181052365.db2.gz JRSXZZNEKZTTJP-AWEZNQCLSA-N -1 0 323.345 1.800 50 0 DDAARM COC(=O)c1sc2[nH]c(C3CC3)nc(=O)c2c1CC(=O)[O-] ZINC000003888496 181052812 /nfs/dbraw/zinc/05/28/12/181052812.db2.gz OKYLUOLBHSOKAJ-UHFFFAOYSA-N -1 0 308.315 1.276 50 0 DDAARM COCCCN(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000585134221 354811174 /nfs/dbraw/zinc/81/11/74/354811174.db2.gz IXKBGGBQQXEYHY-UHFFFAOYSA-N -1 0 304.346 1.904 50 0 DDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000237064921 202141371 /nfs/dbraw/zinc/14/13/71/202141371.db2.gz ANLSKLWNMBYXLS-SNVBAGLBSA-N -1 0 304.346 1.897 50 0 DDAARM COc1ccc(CNC(=O)c2cc(C3CC3)n[nH]2)cc1C(=O)[O-] ZINC000237330753 202234045 /nfs/dbraw/zinc/23/40/45/202234045.db2.gz YBIYNPJJDNTFIO-UHFFFAOYSA-N -1 0 315.329 1.924 50 0 DDAARM C[C@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)Cc1cccc(F)c1 ZINC000237538077 202274207 /nfs/dbraw/zinc/27/42/07/202274207.db2.gz GVRNGDLJPIBORM-SMDDNHRTSA-N -1 0 309.337 1.706 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(-c3ccccc3)n2)C1 ZINC000237662508 202321952 /nfs/dbraw/zinc/32/19/52/202321952.db2.gz KGYULWNTFUFXDF-OAHLLOKOSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)n1 ZINC000237700655 202332602 /nfs/dbraw/zinc/33/26/02/202332602.db2.gz AXNWYANSTOHSMD-GFCCVEGCSA-N -1 0 301.302 1.734 50 0 DDAARM Cc1cc2occ(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)c2cc1C ZINC000237914425 202390243 /nfs/dbraw/zinc/39/02/43/202390243.db2.gz NKJQICXONQYQHY-OAHLLOKOSA-N -1 0 317.341 1.904 50 0 DDAARM CCN1C[C@H](C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)CC1=O ZINC000193457957 201055748 /nfs/dbraw/zinc/05/57/48/201055748.db2.gz YZEGVLDXKOHGLY-KGLIPLIRSA-N -1 0 318.373 1.577 50 0 DDAARM O=C([O-])CSc1nnc(N2C(=O)c3ccccc3C2=O)s1 ZINC000006344912 181332900 /nfs/dbraw/zinc/33/29/00/181332900.db2.gz FOICFHHEXFDFFV-UHFFFAOYSA-N -1 0 321.339 1.515 50 0 DDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1OC ZINC000006706787 181375354 /nfs/dbraw/zinc/37/53/54/181375354.db2.gz YGCJEFGEPULRGF-UHFFFAOYSA-N -1 0 321.358 1.251 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCSCC1 ZINC000006730681 181378973 /nfs/dbraw/zinc/37/89/73/181378973.db2.gz JNOAXQMPDUXEHV-UHFFFAOYSA-N -1 0 317.388 1.131 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)C[C@H]1C(=O)[O-] ZINC000091364557 193046483 /nfs/dbraw/zinc/04/64/83/193046483.db2.gz VRSOAPJOSYAQQY-GHMZBOCLSA-N -1 0 302.334 1.531 50 0 DDAARM O=C([O-])c1cccc(C[C@@H]2CCN(S(=O)(=O)C3CC3)C2)c1 ZINC000092004051 193139559 /nfs/dbraw/zinc/13/95/59/193139559.db2.gz RBISBSNWDYHVHX-LBPRGKRZSA-N -1 0 309.387 1.741 50 0 DDAARM COc1cc(C=Cc2cc(C(=O)[O-])nc(=O)[nH]2)cc(OC)c1O ZINC000222078604 201600076 /nfs/dbraw/zinc/60/00/76/201600076.db2.gz RHTJPOLMNRTTHE-ARJAWSKDSA-N -1 0 318.285 1.774 50 0 DDAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@]1(C)CCCO1 ZINC000262367459 203275728 /nfs/dbraw/zinc/27/57/28/203275728.db2.gz JOMAKHLGPZLHFE-MRXNPFEDSA-N -1 0 307.346 1.678 50 0 DDAARM Cc1nc(-c2ccccc2)oc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000262761616 203399076 /nfs/dbraw/zinc/39/90/76/203399076.db2.gz KVJIGQVIZCCHAI-GFCCVEGCSA-N -1 0 316.313 1.576 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2cc(Br)c[nH]2)CCSC1 ZINC000043508521 304164611 /nfs/dbraw/zinc/16/46/11/304164611.db2.gz GMLNXZFDHIHULJ-SNVBAGLBSA-N -1 0 319.180 1.467 50 0 DDAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000018707865 182102442 /nfs/dbraw/zinc/10/24/42/182102442.db2.gz MCWOJKGOGVPROQ-AWEZNQCLSA-N -1 0 319.338 1.728 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2F)c[nH]1 ZINC000020009993 182176888 /nfs/dbraw/zinc/17/68/88/182176888.db2.gz RYCMLPIWBQOMQE-UHFFFAOYSA-N -1 0 302.258 1.792 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)NCCCn2nccc2C2CC2)n1 ZINC000020616236 182239069 /nfs/dbraw/zinc/23/90/69/182239069.db2.gz OJKDPHXJGVTSTB-UHFFFAOYSA-N -1 0 317.349 1.012 50 0 DDAARM O=C([O-])CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1 ZINC000021779126 182288649 /nfs/dbraw/zinc/28/86/49/182288649.db2.gz ONTYQPXMOAAYCO-UHFFFAOYSA-N -1 0 314.294 1.200 50 0 DDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=O)NC1=O ZINC000022135465 182310802 /nfs/dbraw/zinc/31/08/02/182310802.db2.gz WDKUQPOSYZGRIV-PAKSIRSJSA-N -1 0 301.327 1.892 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CCO1 ZINC000299748534 304197532 /nfs/dbraw/zinc/19/75/32/304197532.db2.gz HJVMOVSISSAOSS-MWLCHTKSSA-N -1 0 313.400 1.391 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000088375693 304200247 /nfs/dbraw/zinc/20/02/47/304200247.db2.gz VLALIJOVJRXOCA-SNVBAGLBSA-N -1 0 304.129 1.919 50 0 DDAARM Cc1ccn2c(c1)n[n-]c2=NC(=O)c1nn(C)c2c1CCCC2 ZINC000333580942 249030827 /nfs/dbraw/zinc/03/08/27/249030827.db2.gz RJRLWEZFRFDUJJ-UHFFFAOYSA-N -1 0 310.361 1.324 50 0 DDAARM CS(=O)(=O)[N-]C(=O)C1CCN(c2nc3ccccc3o2)CC1 ZINC000040543744 183098921 /nfs/dbraw/zinc/09/89/21/183098921.db2.gz ZZNTWECPXZXIFT-UHFFFAOYSA-N -1 0 323.374 1.120 50 0 DDAARM CS(=O)(=O)[N-]C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000042279156 183250191 /nfs/dbraw/zinc/25/01/91/183250191.db2.gz BTZAQONVJVZCIK-NSCUHMNNSA-N -1 0 303.723 1.158 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2cnc3ccccc3n2)CCSC1 ZINC000043509874 304214154 /nfs/dbraw/zinc/21/41/54/304214154.db2.gz QDKWBKOZWHRGRT-AWEZNQCLSA-N -1 0 303.343 1.320 50 0 DDAARM Cc1nn(-c2ccccc2)cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268974241 207137127 /nfs/dbraw/zinc/13/71/27/207137127.db2.gz IQDOAGSZUGXMJV-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM COc1ccccc1C[C@@H](C)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268967776 207133090 /nfs/dbraw/zinc/13/30/90/207133090.db2.gz FEOYWWFDOWRPDZ-OCCSQVGLSA-N -1 0 321.373 1.576 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1ccc(Cl)s1 ZINC000268968910 207133643 /nfs/dbraw/zinc/13/36/43/207133643.db2.gz FMOWYBQOHWEMGE-VIFPVBQESA-N -1 0 303.767 1.646 50 0 DDAARM Cc1cccc(OCCCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268985204 207143125 /nfs/dbraw/zinc/14/31/25/207143125.db2.gz PILXWQJSNYUKME-AWEZNQCLSA-N -1 0 307.346 1.466 50 0 DDAARM Cc1cccc(O[C@H](C)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000269027608 207176835 /nfs/dbraw/zinc/17/68/35/207176835.db2.gz LCINRUZMKXFCRO-OCCSQVGLSA-N -1 0 307.346 1.464 50 0 DDAARM COCCOc1ccccc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000269028508 207176977 /nfs/dbraw/zinc/17/69/77/207176977.db2.gz LEJUZZHSOGLOFL-INIZCTEOSA-N -1 0 307.346 1.649 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000062132498 184207654 /nfs/dbraw/zinc/20/76/54/184207654.db2.gz QLMZPDUZCURCQR-SECBINFHSA-N -1 0 303.767 1.744 50 0 DDAARM Cc1cnc(CNC(=O)c2cccc(NCC(=O)[O-])c2)cn1 ZINC000065532351 184361972 /nfs/dbraw/zinc/36/19/72/184361972.db2.gz MPUXNMCIDLJYJW-UHFFFAOYSA-N -1 0 300.318 1.212 50 0 DDAARM CN(C(=O)Cn1[n-]c(=O)ccc1=O)[C@H]1CCCc2ccccc21 ZINC000065554458 184365765 /nfs/dbraw/zinc/36/57/65/184365765.db2.gz FPYOEGHXXILTNL-AWEZNQCLSA-N -1 0 313.357 1.073 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC000123683476 304250094 /nfs/dbraw/zinc/25/00/94/304250094.db2.gz YCUDUDZTGWIPAL-PHIMTYICSA-N -1 0 313.350 1.945 50 0 DDAARM O=C([O-])C1(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000154881394 197001150 /nfs/dbraw/zinc/00/11/50/197001150.db2.gz CQXNARYAKBMFHG-JTQLQIEISA-N -1 0 322.748 1.426 50 0 DDAARM Nc1c2nc(-c3ccco3)[n-]c(=O)c2nc(=O)n1-c1ccccc1 ZINC000100945743 256566834 /nfs/dbraw/zinc/56/68/34/256566834.db2.gz NLIAJIBDRFBZOR-UHFFFAOYSA-N -1 0 321.296 1.142 50 0 DDAARM Cc1ccccc1N1C(=O)[C@@H]2C(C(=O)c3ccco3)=NOC2=C1[O-] ZINC000100355233 257272781 /nfs/dbraw/zinc/27/27/81/257272781.db2.gz DKYXYHSXOOWNCQ-DOMZBBRYSA-N -1 0 324.292 1.715 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000005817125 257262279 /nfs/dbraw/zinc/26/22/79/257262279.db2.gz VDPZDRBXCKEVJM-ZIAGYGMSSA-N -1 0 304.346 1.330 50 0 DDAARM CCC[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000000034473 406615269 /nfs/dbraw/zinc/61/52/69/406615269.db2.gz OZMXKPWCQWVTMR-QMMMGPOBSA-N -1 0 315.376 1.223 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000000146277 406626994 /nfs/dbraw/zinc/62/69/94/406626994.db2.gz PLFFUTZIHSARGE-UHFFFAOYSA-N -1 0 310.331 1.863 50 0 DDAARM COc1cc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc(OC)c1 ZINC000000428598 406648664 /nfs/dbraw/zinc/64/86/64/406648664.db2.gz PJYBGYWFRFAHQE-UHFFFAOYSA-N -1 0 311.363 1.845 50 0 DDAARM CN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000000470275 406649453 /nfs/dbraw/zinc/64/94/53/406649453.db2.gz RJUDNEZSPDBNGS-UHFFFAOYSA-N -1 0 324.292 1.863 50 0 DDAARM COc1ccc(NC(=O)Cc2sc3ncnn3c2[O-])cc1 ZINC000000579142 406655900 /nfs/dbraw/zinc/65/59/00/406655900.db2.gz KSYONHWIFPZGSJ-SNVBAGLBSA-N -1 0 304.331 1.430 50 0 DDAARM CCOC(=O)c1c(C)oc2cc(S(=O)(=O)[O-])c(O)cc21 ZINC000001797707 406677341 /nfs/dbraw/zinc/67/73/41/406677341.db2.gz ISQBUDLXCVRHGK-UHFFFAOYSA-N -1 0 300.288 1.870 50 0 DDAARM O=S(=O)([N-]c1ncn(Cc2cccnc2)n1)c1cccs1 ZINC000069565525 406735003 /nfs/dbraw/zinc/73/50/03/406735003.db2.gz DNNBMRIXVTYPDO-UHFFFAOYSA-N -1 0 321.387 1.584 50 0 DDAARM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cn2cccnc2n1 ZINC000069777692 406771485 /nfs/dbraw/zinc/77/14/85/406771485.db2.gz QLUBKVAEDGTRHK-UHFFFAOYSA-N -1 0 322.284 1.325 50 0 DDAARM CCN(CC)c1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000002967683 406708293 /nfs/dbraw/zinc/70/82/93/406708293.db2.gz VBNCQXWZJXPJHC-UHFFFAOYSA-N -1 0 317.389 1.742 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000003203170 406714229 /nfs/dbraw/zinc/71/42/29/406714229.db2.gz QCOPOBCNXPBPIJ-VXGBXAGGSA-N -1 0 312.391 1.503 50 0 DDAARM O=C([O-])[C@H](CO)Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000011768194 406831066 /nfs/dbraw/zinc/83/10/66/406831066.db2.gz SHGXMGZDAPDOBC-QMMMGPOBSA-N -1 0 301.224 1.506 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000071285765 406837867 /nfs/dbraw/zinc/83/78/67/406837867.db2.gz QZRLGUKSNDKVBD-NXEZZACHSA-N -1 0 310.737 1.734 50 0 DDAARM CS(=O)(=O)c1ccc(N2CCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000016158931 406882443 /nfs/dbraw/zinc/88/24/43/406882443.db2.gz ADVWBBDLQVPIER-LBPRGKRZSA-N -1 0 301.339 1.673 50 0 DDAARM COCCCn1c(C(=O)[O-])cc2c1nc1ccccn1c2=O ZINC000036294503 406977711 /nfs/dbraw/zinc/97/77/11/406977711.db2.gz ZSXWKGKZYAJEAX-UHFFFAOYSA-N -1 0 301.302 1.384 50 0 DDAARM Cc1n[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)cn21 ZINC000075874175 406944029 /nfs/dbraw/zinc/94/40/29/406944029.db2.gz HXUVMEYWWQMHTP-UHFFFAOYSA-N -1 0 304.331 1.132 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000032105759 406945901 /nfs/dbraw/zinc/94/59/01/406945901.db2.gz WXNTVWXYHIOASA-UHFFFAOYSA-N -1 0 324.300 1.067 50 0 DDAARM CCN(CC)c1ccc(NS(=O)(=O)CC)cc1C(=O)[O-] ZINC000033253637 406960568 /nfs/dbraw/zinc/96/05/68/406960568.db2.gz FBTZLWUISOYGFU-UHFFFAOYSA-N -1 0 300.380 1.993 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000037793291 406993723 /nfs/dbraw/zinc/99/37/23/406993723.db2.gz WUTZSCPHVZKDEV-HTQZYQBOSA-N -1 0 304.224 1.682 50 0 DDAARM CCn1nc(C)cc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000089300356 407129432 /nfs/dbraw/zinc/12/94/32/407129432.db2.gz UCMMXDOSRRFAMS-UHFFFAOYSA-N -1 0 301.346 1.938 50 0 DDAARM Cc1c(C(=O)NCc2nc(=O)o[n-]2)oc2c1c(C)ccc2C ZINC000089626909 407142507 /nfs/dbraw/zinc/14/25/07/407142507.db2.gz UXXCTLXSFWQIHA-UHFFFAOYSA-N -1 0 301.302 1.964 50 0 DDAARM COc1cc(C(=O)/C=C\c2cnn(C)c2)ccc1OCC(=O)[O-] ZINC000096291387 407258167 /nfs/dbraw/zinc/25/81/67/407258167.db2.gz IJGJQGVMUOAXJA-HYXAFXHYSA-N -1 0 316.313 1.788 50 0 DDAARM O=C([O-])CNc1ccccc1C(=O)NCC1(O)CCCCC1 ZINC000055131886 407195444 /nfs/dbraw/zinc/19/54/44/407195444.db2.gz LWYWYSLJNBKPEP-UHFFFAOYSA-N -1 0 306.362 1.608 50 0 DDAARM CCCc1cc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)n[nH]1 ZINC000096004546 407222603 /nfs/dbraw/zinc/22/26/03/407222603.db2.gz QBDIATWLEWJAQM-UHFFFAOYSA-N -1 0 300.322 1.190 50 0 DDAARM Cc1ncsc1CCC(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-] ZINC000096152140 407241172 /nfs/dbraw/zinc/24/11/72/407241172.db2.gz STBZPLVXIRVIHN-CYBMUJFWSA-N -1 0 320.374 1.318 50 0 DDAARM Cn1cc(CCN2CCN(C(=O)c3ccccc3O)CC2)cn1 ZINC000170648431 407463900 /nfs/dbraw/zinc/46/39/00/407463900.db2.gz SYXIJCDSIPPEKA-UHFFFAOYSA-N -1 0 314.389 1.126 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)N[C@H]3CCSC3)cc2[n-]c1=S ZINC000170643457 407462656 /nfs/dbraw/zinc/46/26/56/407462656.db2.gz DWVTYBYSVHGGRG-VIFPVBQESA-N -1 0 321.427 1.458 50 0 DDAARM O=C(CCCOc1ccccc1)NC1(C(=O)[O-])CCOCC1 ZINC000223669721 407573048 /nfs/dbraw/zinc/57/30/48/407573048.db2.gz QDZJNSVSBVUMIS-UHFFFAOYSA-N -1 0 307.346 1.596 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000225445671 407586183 /nfs/dbraw/zinc/58/61/83/407586183.db2.gz BGQMWTABCSMRKH-CQSZACIVSA-N -1 0 313.357 1.738 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ncoc2-c2cccs2)CCO1 ZINC000238057868 407878113 /nfs/dbraw/zinc/87/81/13/407878113.db2.gz BFWWAPTTWFIWHW-VIFPVBQESA-N -1 0 322.342 1.719 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000238085698 407887264 /nfs/dbraw/zinc/88/72/64/407887264.db2.gz GEPMVIFXYBPTHN-GFCCVEGCSA-N -1 0 321.283 1.840 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)CCO1 ZINC000238128947 407892878 /nfs/dbraw/zinc/89/28/78/407892878.db2.gz ZFJGFJSCEBHVFB-SNVBAGLBSA-N -1 0 307.331 1.064 50 0 DDAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCO1 ZINC000238121899 407893148 /nfs/dbraw/zinc/89/31/48/407893148.db2.gz UXLNJMDMAUNWPY-ZDUSSCGKSA-N -1 0 313.300 1.947 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCCOc2cccc(F)c2)CCO1 ZINC000262935198 407976930 /nfs/dbraw/zinc/97/69/30/407976930.db2.gz GXJGZGJNHNWEEW-CYBMUJFWSA-N -1 0 311.309 1.297 50 0 DDAARM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263080258 408018376 /nfs/dbraw/zinc/01/83/76/408018376.db2.gz UVGDILMNMDNVKL-XRRVDJEJSA-N -1 0 320.345 1.110 50 0 DDAARM O=C([O-])C1(C(=O)N2CCC([C@@H](O)c3ccc(F)cc3)CC2)CC1 ZINC000154908060 408102331 /nfs/dbraw/zinc/10/23/31/408102331.db2.gz UVDAXJRFRIQJFE-AWEZNQCLSA-N -1 0 321.348 1.963 50 0 DDAARM Cc1nc([C@@H]2CCCN2C(=O)c2cnc(C(=O)[O-])cn2)cs1 ZINC000263420320 408134709 /nfs/dbraw/zinc/13/47/09/408134709.db2.gz KYXVZGIMGYCWLK-LBPRGKRZSA-N -1 0 318.358 1.917 50 0 DDAARM COc1ccc(-c2ccnc(NC[C@@](C)(O)C(=O)[O-])n2)cc1 ZINC000263545361 408169762 /nfs/dbraw/zinc/16/97/62/408169762.db2.gz GNQZWXDIPOPTJP-OAHLLOKOSA-N -1 0 303.318 1.400 50 0 DDAARM C[C@H](CN(C)C(=O)c1ccc(N(C)C)cc1F)c1nnn[n-]1 ZINC000183438318 408413172 /nfs/dbraw/zinc/41/31/72/408413172.db2.gz AKXMLGFVQPCRMU-SECBINFHSA-N -1 0 306.345 1.281 50 0 DDAARM CC(=O)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)n(C)c1 ZINC000193016404 408682006 /nfs/dbraw/zinc/68/20/06/408682006.db2.gz GRJQJOFSSRPNKZ-UHFFFAOYSA-N -1 0 318.333 1.496 50 0 DDAARM O=C([O-])Cn1cc(/C=C/C(=O)c2cc([N+](=O)[O-])ccc2F)nn1 ZINC000252484658 408797441 /nfs/dbraw/zinc/79/74/41/408797441.db2.gz GDHHIDFRGPVXJY-DAFODLJHSA-N -1 0 320.236 1.306 50 0 DDAARM CCC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)[O-])CC3)CC1 ZINC000169676893 408820059 /nfs/dbraw/zinc/82/00/59/408820059.db2.gz PQUMXCIATGTEHC-JTQLQIEISA-N -1 0 323.418 1.391 50 0 DDAARM C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262372752 163817468 /nfs/dbraw/zinc/81/74/68/163817468.db2.gz BCPDNTISFRWFOE-LLVKDONJSA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)C1 ZINC000299744729 410604400 /nfs/dbraw/zinc/60/44/00/410604400.db2.gz UQYPXSLJVFFJOA-SNVBAGLBSA-N -1 0 324.764 1.472 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000136127869 196521958 /nfs/dbraw/zinc/52/19/58/196521958.db2.gz VSQFOPQSEYVLCD-JTQLQIEISA-N -1 0 318.308 1.343 50 0 DDAARM O=C([O-])CN(CC1CC1)S(=O)(=O)c1cccc(Cl)c1F ZINC000036885587 418414395 /nfs/dbraw/zinc/41/43/95/418414395.db2.gz WSQWHJFCFCJVMS-UHFFFAOYSA-N -1 0 321.757 1.964 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]C(=O)c2csc(C)n2)cc1 ZINC000049416903 418477484 /nfs/dbraw/zinc/47/74/84/418477484.db2.gz SDXWJBKIQWWBIX-UHFFFAOYSA-N -1 0 312.372 1.579 50 0 DDAARM COC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(OC)cc1 ZINC000100817074 418493300 /nfs/dbraw/zinc/49/33/00/418493300.db2.gz FMZBSNGILITGKE-UHFFFAOYSA-N -1 0 322.342 1.221 50 0 DDAARM Cc1[n-]n(C)c(=O)c1C(=O)NCCCOCCc1ccccc1 ZINC000101901972 418494720 /nfs/dbraw/zinc/49/47/20/418494720.db2.gz UPHMEVUNFZSKSV-OAHLLOKOSA-N -1 0 317.389 1.216 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)C1 ZINC000299745223 229387490 /nfs/dbraw/zinc/38/74/90/229387490.db2.gz WVILPGRZJRFOHN-CHWSQXEVSA-N -1 0 319.357 1.791 50 0 DDAARM Cn1c(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1-c1ccccc1 ZINC000299748809 229390884 /nfs/dbraw/zinc/39/08/84/229390884.db2.gz IHAFGBNMHRCJRC-HNNXBMFYSA-N -1 0 314.341 1.618 50 0 DDAARM CC(C)(CCCO)CNS(=O)(=O)c1cc([O-])cc(F)c1 ZINC000585115070 422304185 /nfs/dbraw/zinc/30/41/85/422304185.db2.gz LFCDBTAVQRVADR-UHFFFAOYSA-N -1 0 305.371 1.608 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 ZINC000578631890 422611862 /nfs/dbraw/zinc/61/18/62/422611862.db2.gz DORRMHFCVKFYIN-VIFPVBQESA-N -1 0 305.334 1.045 50 0 DDAARM CC(C)N1C[C@@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CC1=O ZINC000299740639 279539870 /nfs/dbraw/zinc/53/98/70/279539870.db2.gz AWBGFSSHWAWSHG-AWEZNQCLSA-N -1 0 318.373 1.300 50 0 DDAARM Cc1cc(C)cc(N2CC[C@@H](C(=O)N(C)CCC(=O)[O-])C2=O)c1 ZINC000299748093 301226048 /nfs/dbraw/zinc/22/60/48/301226048.db2.gz FZDYWXFHHLVEOA-AWEZNQCLSA-N -1 0 318.373 1.589 50 0 DDAARM CC(=O)N[C@@H](Cc1ccc(-c2c(C)n[nH]c2C)cc1)C(=O)[O-] ZINC000534578509 334288301 /nfs/dbraw/zinc/28/83/01/334288301.db2.gz KGXGNGZFOTVTBV-AWEZNQCLSA-N -1 0 301.346 1.825 50 0 DDAARM CCN(Cc1ccccc1)C(=O)CSc1n[nH]c(=O)[n-]c1=O ZINC000071405376 337366864 /nfs/dbraw/zinc/36/68/64/337366864.db2.gz DUWWWAPSYBEINZ-UHFFFAOYSA-N -1 0 320.374 1.011 50 0 DDAARM CCc1[nH]n(C)c2nnc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1-2 ZINC000663044108 484622529 /nfs/dbraw/zinc/62/25/29/484622529.db2.gz KKZIXTDNOGYRFW-SECBINFHSA-N -1 0 307.354 1.544 50 0 DDAARM COc1ccc(Cc2n[n-]c(N3CCCCC3)nc2=O)cc1 ZINC000005154637 536534256 /nfs/dbraw/zinc/53/42/56/536534256.db2.gz XONSPUQTYIAGAG-UHFFFAOYSA-N -1 0 300.362 1.755 50 0 DDAARM O=C([O-])C[C@H]1SC(=NN=C/C=C\c2ccccc2)NC1=O ZINC000390825663 563937963 /nfs/dbraw/zinc/93/79/63/563937963.db2.gz MDTSDNQPTIRIRQ-OLWFJXBUSA-N -1 0 303.343 1.748 50 0 DDAARM CCOc1ccc(-n2cnnc2)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000199317382 741078006 /nfs/dbraw/zinc/07/80/06/741078006.db2.gz HHGJXATUZQGHLJ-SNVBAGLBSA-N -1 0 316.317 1.104 50 0 DDAARM CC(C)=CC(=O)N1C[C@H]2CN(c3ccccn3)C[C@@]2(C(=O)[O-])C1 ZINC000219583287 771933819 /nfs/dbraw/zinc/93/38/19/771933819.db2.gz VATPHNZIAHLBSQ-CXAGYDPISA-N -1 0 315.373 1.397 50 0 DDAARM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)sc2C)on1 ZINC000585129048 771960871 /nfs/dbraw/zinc/96/08/71/771960871.db2.gz WGSNXGMRAVJVNV-UHFFFAOYSA-N -1 0 316.360 1.940 50 0 DDAARM CSCC[C@@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095480935 185373769 /nfs/dbraw/zinc/37/37/69/185373769.db2.gz RTZUYATYVQVRPC-RXMQYKEDSA-N -1 0 301.759 1.625 50 0 DDAARM O=C([O-])CN(C(=O)CCCNC(=O)c1ccc(F)cc1)C1CC1 ZINC000095424479 185361374 /nfs/dbraw/zinc/36/13/74/185361374.db2.gz UUVVMNFVZJHBRF-UHFFFAOYSA-N -1 0 322.336 1.411 50 0 DDAARM C[C@H](NC(=O)c1cn(C)nc1-c1ccc(F)cc1F)C(=O)[O-] ZINC000095425148 185361677 /nfs/dbraw/zinc/36/16/77/185361677.db2.gz RPFVPOKXUIQXAD-ZETCQYMHSA-N -1 0 309.272 1.568 50 0 DDAARM CCc1nnc(C)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000261604254 282287878 /nfs/dbraw/zinc/28/78/78/282287878.db2.gz AATMBCAUUOEBOM-OAHLLOKOSA-N -1 0 313.357 1.773 50 0 DDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)COC[C@H]1CCCO1 ZINC000299750230 529983933 /nfs/dbraw/zinc/98/39/33/529983933.db2.gz MYTZBTPIEVKHIE-CQSZACIVSA-N -1 0 307.346 1.539 50 0 DDAARM CC(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1cc(C2CC2)nn1 ZINC000685942602 539566916 /nfs/dbraw/zinc/56/69/16/539566916.db2.gz XSBLTWNPILXHBB-LOWVWBTDSA-N -1 0 306.366 1.332 50 0 DDAARM CC(C)CN(CCC(=O)[O-])C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000236724869 201982958 /nfs/dbraw/zinc/98/29/58/201982958.db2.gz PIAWIEPFHYUCQH-LLVKDONJSA-N -1 0 310.350 1.357 50 0 DDAARM C[C@H](Oc1ccccc1Cl)C(=O)NC(C)(C)c1nnn[n-]1 ZINC000072298087 191112520 /nfs/dbraw/zinc/11/25/20/191112520.db2.gz YOEDQJUGBWFBFW-QMMMGPOBSA-N -1 0 309.757 1.672 50 0 DDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)COc1ccccc1 ZINC000000123510 180700578 /nfs/dbraw/zinc/70/05/78/180700578.db2.gz HSYAGHIHFNRDNL-HNNXBMFYSA-N -1 0 315.325 1.583 50 0 DDAARM Cn1cc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000072474378 191177851 /nfs/dbraw/zinc/17/78/51/191177851.db2.gz OGEBUOWNBBOQFF-CQSZACIVSA-N -1 0 302.330 1.033 50 0 DDAARM CC1CCC(N2C[C@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)CC1 ZINC000236794142 202011063 /nfs/dbraw/zinc/01/10/63/202011063.db2.gz ULZFCDMTOVNJCN-YIFLHPOLSA-N -1 0 322.405 1.347 50 0 DDAARM CON(C)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000004206656 181085285 /nfs/dbraw/zinc/08/52/85/181085285.db2.gz YEPNMMVGWMRNLD-UHFFFAOYSA-N -1 0 324.152 1.329 50 0 DDAARM Cc1cc(OC[C@H](O)CN(C)S(=O)(=O)[O-])ccc1Cl ZINC000004713448 181140789 /nfs/dbraw/zinc/14/07/89/181140789.db2.gz GYLSKXLZOIFOKQ-SECBINFHSA-N -1 0 309.771 1.123 50 0 DDAARM COCc1cnc(C2=N[C@](C)(C(C)C)C(=O)N2)c(C(=O)[O-])c1 ZINC000005442637 181243712 /nfs/dbraw/zinc/24/37/12/181243712.db2.gz NUPJIGQFXCQJBK-OAHLLOKOSA-N -1 0 305.334 1.217 50 0 in-vitro DDAARM O=C([O-])CCCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000237983118 304051372 /nfs/dbraw/zinc/05/13/72/304051372.db2.gz PUQJWJKKDFFIJP-UHFFFAOYSA-N -1 0 308.309 1.547 50 0 DDAARM CCCc1nc(C)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000236933207 202078510 /nfs/dbraw/zinc/07/85/10/202078510.db2.gz JWFXLNFGAGYGMO-SNVBAGLBSA-N -1 0 312.391 1.720 50 0 DDAARM CC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)[O-] ZINC000236976737 202105273 /nfs/dbraw/zinc/10/52/73/202105273.db2.gz LWHXRRRRGNLRLJ-CYBMUJFWSA-N -1 0 304.346 1.402 50 0 DDAARM C[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)[O-] ZINC000237312794 295967970 /nfs/dbraw/zinc/96/79/70/295967970.db2.gz SNKBIUBWZZCORS-VIFPVBQESA-N -1 0 308.309 1.403 50 0 DDAARM C[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237411627 202258074 /nfs/dbraw/zinc/25/80/74/202258074.db2.gz IQYCAIWOYCXGAV-HZMBPMFUSA-N -1 0 303.314 1.848 50 0 DDAARM Cc1nc(-c2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)co2)cs1 ZINC000237789555 202355986 /nfs/dbraw/zinc/35/59/86/202355986.db2.gz VXLGMIJOFTWGNX-LBPRGKRZSA-N -1 0 322.342 1.637 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(Cl)ccc2F)CCO1 ZINC000091292432 193032540 /nfs/dbraw/zinc/03/25/40/193032540.db2.gz KUNBISGYIKXMCB-SECBINFHSA-N -1 0 301.701 1.795 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000262170344 203217435 /nfs/dbraw/zinc/21/74/35/203217435.db2.gz FBGQZHDTYOVVMM-CQSZACIVSA-N -1 0 311.359 1.027 50 0 DDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc2ncsc2c1 ZINC000262406520 203286182 /nfs/dbraw/zinc/28/61/82/203286182.db2.gz KUBWSCUKEOYDMN-UHFFFAOYSA-N -1 0 314.388 1.782 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262475588 203304407 /nfs/dbraw/zinc/30/44/07/203304407.db2.gz JPNYQGSUQGQNCN-CFVMTHIKSA-N -1 0 319.405 1.824 50 0 DDAARM COCc1cccc([C@@H](C(=O)[O-])N(C)Cc2nnc(C)o2)c1 ZINC000095364456 193433098 /nfs/dbraw/zinc/43/30/98/193433098.db2.gz KCSJNULSJNWRIH-AWEZNQCLSA-N -1 0 305.334 1.782 50 0 DDAARM O=C([O-])c1cc(C(=O)NCCn2cccc2)n(-c2ccccc2)n1 ZINC000096479850 193663308 /nfs/dbraw/zinc/66/33/08/193663308.db2.gz BMWSCYBBZGVXPF-UHFFFAOYSA-N -1 0 324.340 1.802 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc(Cl)c(F)c4)C(=O)[C@H]13)O2 ZINC000005146358 304160422 /nfs/dbraw/zinc/16/04/22/304160422.db2.gz PWBCMFRVRQSIEB-MCYUEQNJSA-N -1 0 323.707 1.850 50 0 DDAARM Cc1cc(Cl)ccc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012993409 181819311 /nfs/dbraw/zinc/81/93/11/181819311.db2.gz YQUFMBWOBPVRJU-UHFFFAOYSA-N -1 0 307.737 1.527 50 0 DDAARM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC000016130684 182035424 /nfs/dbraw/zinc/03/54/24/182035424.db2.gz FMDPBPJEIXNRFC-UHFFFAOYSA-N -1 0 308.315 1.589 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1OC ZINC000019962517 182170686 /nfs/dbraw/zinc/17/06/86/182170686.db2.gz JLRHGOPPXGCVCK-NSHDSACASA-N -1 0 316.317 1.587 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000238071293 304185061 /nfs/dbraw/zinc/18/50/61/304185061.db2.gz TWHACMXVTHXERL-CYBMUJFWSA-N -1 0 300.314 1.077 50 0 DDAARM CS(=O)(=O)[N-]C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000040543955 183099347 /nfs/dbraw/zinc/09/93/47/183099347.db2.gz WRZFOLRYEWVHQN-UHFFFAOYSA-N -1 0 312.322 1.489 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000000106161 304207586 /nfs/dbraw/zinc/20/75/86/304207586.db2.gz BLLKGHBDKCMCSU-GFCCVEGCSA-N -1 0 323.395 1.948 50 0 DDAARM O=C([O-])CCCCCNC(=O)Cn1ncc2ccccc2c1=O ZINC000049550357 183740742 /nfs/dbraw/zinc/74/07/42/183740742.db2.gz YIWFWJUAQAJRPO-UHFFFAOYSA-N -1 0 317.345 1.158 50 0 DDAARM C[C@H](CCc1ccccc1F)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268978416 207140455 /nfs/dbraw/zinc/14/04/55/207140455.db2.gz LMUHSCJEIUFNNR-BXUZGUMPSA-N -1 0 309.337 1.706 50 0 DDAARM CN(CCC(=O)[O-])C(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000269095202 207235838 /nfs/dbraw/zinc/23/58/38/207235838.db2.gz ZYRCDRRBEGARBU-CQSZACIVSA-N -1 0 308.353 1.723 50 0 DDAARM Cc1nnc2c(S(=O)(=O)[N-]c3ccc(F)cc3)cccn12 ZINC000062592006 184244583 /nfs/dbraw/zinc/24/45/83/184244583.db2.gz MMBIMICBFFWUHL-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM CCC(=O)Nc1cc(N2C[C@@H](C(=O)[O-])CC2=O)ccc1OC ZINC000065395348 184335284 /nfs/dbraw/zinc/33/52/84/184335284.db2.gz CZGOJEIAXPYJDR-VIFPVBQESA-N -1 0 306.318 1.481 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000263398483 304233919 /nfs/dbraw/zinc/23/39/19/304233919.db2.gz GAGOWYKHFZKJRB-UHFFFAOYSA-N -1 0 316.357 1.469 50 0 DDAARM CC(C)(C(=O)[N-]OCC(=O)NCc1ccco1)c1ccccc1 ZINC000065513250 184358029 /nfs/dbraw/zinc/35/80/29/184358029.db2.gz HLILUOUSWWHGNZ-UHFFFAOYSA-N -1 0 316.357 1.921 50 0 DDAARM CCN1CC2(CC1=O)CCN(c1ccc(C(=O)[O-])cn1)CC2 ZINC000077386158 285183294 /nfs/dbraw/zinc/18/32/94/285183294.db2.gz NFXUENCRJVBLOV-UHFFFAOYSA-N -1 0 303.362 1.619 50 0 DDAARM O=C([O-])C1(C(=O)N2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000154936493 197006706 /nfs/dbraw/zinc/00/67/06/197006706.db2.gz FKPNWFHQQSJKCY-AWEZNQCLSA-N -1 0 303.358 1.917 50 0 DDAARM CSCc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000330674973 257236788 /nfs/dbraw/zinc/23/67/88/257236788.db2.gz IUZGEQRIGIKKFV-LBPRGKRZSA-N -1 0 313.350 1.614 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000342525480 257236826 /nfs/dbraw/zinc/23/68/26/257236826.db2.gz MTHOFXWHGFVKEF-NSHDSACASA-N -1 0 304.346 1.354 50 0 DDAARM CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)[C@@H]1CC(=O)[O-] ZINC000000266639 406636374 /nfs/dbraw/zinc/63/63/74/406636374.db2.gz NEAAMVGPWZFMQJ-GFCCVEGCSA-N -1 0 303.314 1.961 50 0 DDAARM Cc1cc(N(CC(=O)[O-])S(C)(=O)=O)ccc1Br ZINC000000581086 406655554 /nfs/dbraw/zinc/65/55/54/406655554.db2.gz YLWSJYZXOZXEIQ-UHFFFAOYSA-N -1 0 322.180 1.608 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Cl ZINC000000806118 406660360 /nfs/dbraw/zinc/66/03/60/406660360.db2.gz JASFFPDMUDMTLH-QMMMGPOBSA-N -1 0 319.766 1.496 50 0 DDAARM CC(C)(NC(=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001643471 406674293 /nfs/dbraw/zinc/67/42/93/406674293.db2.gz BJMRSYFLRSLBEH-UHFFFAOYSA-N -1 0 322.361 1.671 50 0 DDAARM CC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001628895 406675556 /nfs/dbraw/zinc/67/55/56/406675556.db2.gz JYUVJQBGBKAJMS-AWEZNQCLSA-N -1 0 322.361 1.672 50 0 DDAARM COc1cccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000002889461 406704432 /nfs/dbraw/zinc/70/44/32/406704432.db2.gz FPZKZULRIJSYMW-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 DDAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(OC)nc1 ZINC000002628937 406693018 /nfs/dbraw/zinc/69/30/18/406693018.db2.gz OSTDECAOWLYLBF-UHFFFAOYSA-N -1 0 322.342 1.678 50 0 DDAARM COc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)OCC2CC2)c1 ZINC000069368429 406702279 /nfs/dbraw/zinc/70/22/79/406702279.db2.gz DBDLGWMGWHGVRR-JTQLQIEISA-N -1 0 313.375 1.315 50 0 DDAARM COC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nc1C ZINC000006921837 406745134 /nfs/dbraw/zinc/74/51/34/406745134.db2.gz IPDBDJNTIAJKRW-RKDXNWHRSA-N -1 0 324.358 1.844 50 0 DDAARM O=C(COc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000069631312 406748537 /nfs/dbraw/zinc/74/85/37/406748537.db2.gz UKMKJJXERCOROY-ZDUSSCGKSA-N -1 0 313.375 1.081 50 0 DDAARM CCNC(=O)c1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000008195514 406780742 /nfs/dbraw/zinc/78/07/42/406780742.db2.gz MACJWCGUIZYVKB-UHFFFAOYSA-N -1 0 323.374 1.842 50 0 DDAARM Cc1cc(C)nc(Nc2ccc(C(=O)NCC(=O)[O-])cc2)n1 ZINC000008020264 406773956 /nfs/dbraw/zinc/77/39/56/406773956.db2.gz HDXXRQXIBUDPEP-UHFFFAOYSA-N -1 0 300.318 1.651 50 0 DDAARM CNC(=O)Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071284986 406836562 /nfs/dbraw/zinc/83/65/62/406836562.db2.gz QUYPKXORQOBTNJ-STQMWFEESA-N -1 0 304.346 1.270 50 0 DDAARM CNC(=O)c1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)ccc1Cl ZINC000071288298 406838021 /nfs/dbraw/zinc/83/80/21/406838021.db2.gz DWJOPUYCVKDLCS-GHMZBOCLSA-N -1 0 324.764 1.995 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc2c1OCO2 ZINC000071857652 406853744 /nfs/dbraw/zinc/85/37/44/406853744.db2.gz WZDUXNFJYRRVLC-SMDDNHRTSA-N -1 0 321.329 1.426 50 0 DDAARM Cc1oc2ncn(CC(=O)NC3CCCC3)c(=O)c2c1C(=O)[O-] ZINC000013056152 406858711 /nfs/dbraw/zinc/85/87/11/406858711.db2.gz ONCQOYGQPSXEEU-UHFFFAOYSA-N -1 0 319.317 1.055 50 0 DDAARM NC(=O)c1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000013466682 406863344 /nfs/dbraw/zinc/86/33/44/406863344.db2.gz XHBJEEXHXRTIKP-CQSZACIVSA-N -1 0 312.325 1.983 50 0 DDAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)NC[C@H]2CCCO2)cc1 ZINC000013615943 406863844 /nfs/dbraw/zinc/86/38/44/406863844.db2.gz UPYPEOANXAVGER-CYBMUJFWSA-N -1 0 320.345 1.399 50 0 DDAARM COc1cc([C@@H]2ON=C(C(=O)[O-])[C@H]2C)c(OC)c2c1OCO2 ZINC000014987659 406878150 /nfs/dbraw/zinc/87/81/50/406878150.db2.gz YJJCMPMXQUYKAT-LHLIQPBNSA-N -1 0 309.274 1.581 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(c2ccccc2)CC1 ZINC000020614516 406888065 /nfs/dbraw/zinc/88/80/65/406888065.db2.gz SLGFKDBMDCRVEG-UHFFFAOYSA-N -1 0 314.345 1.081 50 0 DDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cncnc2)c1 ZINC000071776387 406842521 /nfs/dbraw/zinc/84/25/21/406842521.db2.gz UDLZWUYFXMYJPW-UHFFFAOYSA-N -1 0 321.358 1.529 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)CCCCC1 ZINC000071802761 406843561 /nfs/dbraw/zinc/84/35/61/406843561.db2.gz LKVFRAKZHWRDHD-GFCCVEGCSA-N -1 0 308.378 1.149 50 0 DDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(N)c1 ZINC000035207045 406969841 /nfs/dbraw/zinc/96/98/41/406969841.db2.gz GFNOZMOEYCQZTR-UHFFFAOYSA-N -1 0 306.343 1.856 50 0 DDAARM Cc1cc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])cs2)no1 ZINC000035246924 406970068 /nfs/dbraw/zinc/97/00/68/406970068.db2.gz QWFMPOWKTPCVEQ-UHFFFAOYSA-N -1 0 316.360 1.563 50 0 DDAARM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000075584587 406935831 /nfs/dbraw/zinc/93/58/31/406935831.db2.gz HYYQMEUPLDOIEH-UHFFFAOYSA-N -1 0 318.362 1.110 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc2nsnc21 ZINC000031812554 406942298 /nfs/dbraw/zinc/94/22/98/406942298.db2.gz PRSAQDRQSQRRAQ-UHFFFAOYSA-N -1 0 301.287 1.432 50 0 DDAARM CC[C@@H]1Oc2ccccc2N(CCC(=O)NCCC(=O)[O-])C1=O ZINC000033518121 406962125 /nfs/dbraw/zinc/96/21/25/406962125.db2.gz XIFVUTTTWAPFFS-LBPRGKRZSA-N -1 0 320.345 1.172 50 0 DDAARM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000044936014 407033848 /nfs/dbraw/zinc/03/38/48/407033848.db2.gz VMPAXFFRWJETLJ-VIFPVBQESA-N -1 0 301.318 1.528 50 0 DDAARM O=C([O-])C1CCN(c2nnc(N3CCCCC3=O)s2)CC1 ZINC000045796076 407049456 /nfs/dbraw/zinc/04/94/56/407049456.db2.gz PUMDYENESPWWNE-UHFFFAOYSA-N -1 0 310.379 1.356 50 0 DDAARM Cc1c2ccccc2sc1C(=O)N[C@H](CC(N)=O)C(=O)[O-] ZINC000037416726 406988466 /nfs/dbraw/zinc/98/84/66/406988466.db2.gz KZHLFYFTNUUHKB-SECBINFHSA-N -1 0 306.343 1.268 50 0 DDAARM COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000089466105 407136177 /nfs/dbraw/zinc/13/61/77/407136177.db2.gz PGXRNEHUQTZEAO-CYBMUJFWSA-N -1 0 300.314 1.516 50 0 DDAARM Cc1nc(CC2CCN(c3ncncc3C(=O)[O-])CC2)no1 ZINC000095364199 407208662 /nfs/dbraw/zinc/20/86/62/407208662.db2.gz MGZGMZHPSWPSOO-UHFFFAOYSA-N -1 0 303.322 1.325 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2cnccn2)c(OC)n1 ZINC000095373263 407211146 /nfs/dbraw/zinc/21/11/46/407211146.db2.gz PIPQUFSIKKWEOI-CYBMUJFWSA-N -1 0 318.333 1.147 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1[nH]nc2ccccc21 ZINC000095947859 407215974 /nfs/dbraw/zinc/21/59/74/407215974.db2.gz VDYJOWBWLQRKRA-AWEZNQCLSA-N -1 0 309.325 1.989 50 0 DDAARM Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3ccsc3)ccc21 ZINC000095991800 407222144 /nfs/dbraw/zinc/22/21/44/407222144.db2.gz UYTRINLUWDZXQF-UHFFFAOYSA-N -1 0 321.383 1.754 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(-c2cc[nH]n2)o1 ZINC000097654113 407300812 /nfs/dbraw/zinc/30/08/12/407300812.db2.gz JUPJECHRBIHLGA-ZDUSSCGKSA-N -1 0 313.317 1.404 50 0 DDAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100166125 407307270 /nfs/dbraw/zinc/30/72/70/407307270.db2.gz NADRFVQJUKWNGP-MWLCHTKSSA-N -1 0 322.704 1.147 50 0 DDAARM CCOC(=O)C(=C(C)[O-])C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000101361236 407309194 /nfs/dbraw/zinc/30/91/94/407309194.db2.gz XMDHUXBICPXDJY-ZDUSSCGKSA-N -1 0 324.329 1.663 50 0 DDAARM COc1ncccc1C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000107928990 407381172 /nfs/dbraw/zinc/38/11/72/407381172.db2.gz SGNIWIKBMSKVGJ-UHFFFAOYSA-N -1 0 300.314 1.761 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)nn1 ZINC000170598272 407447482 /nfs/dbraw/zinc/44/74/82/407447482.db2.gz BAGYQYHWEREPNZ-UHFFFAOYSA-N -1 0 307.331 1.221 50 0 DDAARM CCC(CC)NC(=O)[C@@H]1CN(CC(=O)[O-])c2ccccc2O1 ZINC000236652322 407741235 /nfs/dbraw/zinc/74/12/35/407741235.db2.gz NUXNSVBKRIHXMO-AWEZNQCLSA-N -1 0 306.362 1.643 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000236676767 407746858 /nfs/dbraw/zinc/74/68/58/407746858.db2.gz DVYAHIXXQIMGAV-UHFFFAOYSA-N -1 0 307.394 1.729 50 0 DDAARM CCC(CC)n1nccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000236733833 407764604 /nfs/dbraw/zinc/76/46/04/407764604.db2.gz IGDIVAXGKLZTGY-GFCCVEGCSA-N -1 0 309.366 1.560 50 0 DDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnn2cccnc12 ZINC000262221472 407770535 /nfs/dbraw/zinc/77/05/35/407770535.db2.gz MVCPGJSXCROVDQ-LLVKDONJSA-N -1 0 302.334 1.589 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1CCCO1 ZINC000238025934 407872510 /nfs/dbraw/zinc/87/25/10/407872510.db2.gz DGZIPJUZANIUFU-LSDHHAIUSA-N -1 0 303.358 1.984 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(N2CCCC2=O)c1 ZINC000238041320 407875271 /nfs/dbraw/zinc/87/52/71/407875271.db2.gz GILOAJUYIAUQBW-AWEZNQCLSA-N -1 0 316.357 1.893 50 0 DDAARM O=C([O-])[C@H]1CCCN(CC(=O)N2CCSc3ccccc32)C1 ZINC000238081396 407887494 /nfs/dbraw/zinc/88/74/94/407887494.db2.gz IRTMKNOXCYTIMJ-LBPRGKRZSA-N -1 0 320.414 1.922 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc2cc[nH]c2c1)C1CCOCC1 ZINC000238113873 407892838 /nfs/dbraw/zinc/89/28/38/407892838.db2.gz PXXIAPAYXSTBDR-UHFFFAOYSA-N -1 0 302.330 1.874 50 0 DDAARM COc1cc(NC(=O)CCc2ccnn2C)ccc1C(=O)[O-] ZINC000262918542 407969783 /nfs/dbraw/zinc/96/97/83/407969783.db2.gz KGUYQYOTOZVSMZ-UHFFFAOYSA-N -1 0 303.318 1.698 50 0 DDAARM COCc1nc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cs1 ZINC000262772293 407925040 /nfs/dbraw/zinc/92/50/40/407925040.db2.gz HLKIEILPJKMPSU-UHFFFAOYSA-N -1 0 324.362 1.558 50 0 DDAARM CCOc1ccc2nc(CN3CCOC[C@@H]3C(=O)[O-])ccc2c1 ZINC000244718889 407935057 /nfs/dbraw/zinc/93/50/57/407935057.db2.gz LSTHVZHDERMMRD-MRXNPFEDSA-N -1 0 316.357 1.919 50 0 DDAARM Cc1nn(C)cc1C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000262954375 407984233 /nfs/dbraw/zinc/98/42/33/407984233.db2.gz HNMUVPMFRFXBCZ-AWEZNQCLSA-N -1 0 315.329 1.219 50 0 DDAARM C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2CCCOC2)cc1)C(=O)[O-] ZINC000263031149 408005828 /nfs/dbraw/zinc/00/58/28/408005828.db2.gz VADKCFCYSJQTFA-CMPLNLGQSA-N -1 0 320.345 1.255 50 0 DDAARM C[C@H]1C[C@H](NC(=O)C2(C(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000154935800 408105482 /nfs/dbraw/zinc/10/54/82/408105482.db2.gz PAEQGWYVRVTOLK-JQWIXIFHSA-N -1 0 302.330 1.161 50 0 DDAARM COCc1cccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000263528293 408164033 /nfs/dbraw/zinc/16/40/33/408164033.db2.gz LDWUKVRCSYQWTH-AWEZNQCLSA-N -1 0 307.346 1.078 50 0 DDAARM Cc1nc2cc(F)ccc2cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000269000061 408223242 /nfs/dbraw/zinc/22/32/42/408223242.db2.gz XYSYXRBYTDNFFC-AWEZNQCLSA-N -1 0 318.304 1.608 50 0 DDAARM CCc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1-c1ccccn1 ZINC000178260822 408794994 /nfs/dbraw/zinc/79/49/94/408794994.db2.gz QXZNPPFEAXBJNG-NSHDSACASA-N -1 0 314.345 1.376 50 0 DDAARM COc1cc(CCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])on1 ZINC000252495528 408799601 /nfs/dbraw/zinc/79/96/01/408799601.db2.gz OSFQLVRGTUHKTM-CYBMUJFWSA-N -1 0 318.329 1.428 50 0 DDAARM NC(=O)CC1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C1 ZINC000280481410 409321305 /nfs/dbraw/zinc/32/13/05/409321305.db2.gz JVIGNWNHGCXWCC-UHFFFAOYSA-N -1 0 303.145 1.646 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F ZINC000314894584 409834830 /nfs/dbraw/zinc/83/48/30/409834830.db2.gz BSSBOQSONIDXMV-HSBHDXMMSA-N -1 0 309.293 1.160 50 0 DDAARM CCc1ccc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)[nH]1 ZINC000299794617 410635689 /nfs/dbraw/zinc/63/56/89/410635689.db2.gz KQUBOJAUDOOYOL-GXSJLCMTSA-N -1 0 317.349 1.026 50 0 DDAARM O=C([O-])C[C@@]1(c2ccccc2)CC(=O)N(Cc2ccncc2)C1=O ZINC000299801843 410637712 /nfs/dbraw/zinc/63/77/12/410637712.db2.gz ZROSFABBRRIQGR-GOSISDBHSA-N -1 0 324.336 1.753 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)C2(c3cccc(F)c3)CC2)n1 ZINC000647784510 423046546 /nfs/dbraw/zinc/04/65/46/423046546.db2.gz XBBCKDXJMKPALI-UHFFFAOYSA-N -1 0 304.281 1.172 50 0 DDAARM COc1cccc(S(=O)(=O)[N-]C(=O)c2csc(C)n2)c1 ZINC000049515854 418478503 /nfs/dbraw/zinc/47/85/03/418478503.db2.gz ZPTTYTHCVSAFLA-UHFFFAOYSA-N -1 0 312.372 1.579 50 0 DDAARM CN(C)c1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000100509812 418492885 /nfs/dbraw/zinc/49/28/85/418492885.db2.gz QKZOAMZONMZZQW-OAHLLOKOSA-N -1 0 323.352 1.996 50 0 DDAARM O=C(c1ccsc1)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102990032 418495656 /nfs/dbraw/zinc/49/56/56/418495656.db2.gz GRQWBGYIUKXELO-UHFFFAOYSA-N -1 0 300.343 1.283 50 0 DDAARM Cn1c2ccccc2n(CC(=O)[N-]OCc2ccccc2)c1=O ZINC000048272681 418468851 /nfs/dbraw/zinc/46/88/51/418468851.db2.gz ORSJTOOBMKMDJX-UHFFFAOYSA-N -1 0 311.341 1.588 50 0 DDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000261832019 222259417 /nfs/dbraw/zinc/25/94/17/222259417.db2.gz BSKHNYKVGKEFKW-LLVKDONJSA-N -1 0 302.334 1.817 50 0 DDAARM C[C@H](CCNc1cc(Cl)c(=O)[nH]n1)NC(=O)OC(C)(C)C ZINC000408522537 418807845 /nfs/dbraw/zinc/80/78/45/418807845.db2.gz BCMBCGUZEYPBQA-MRVPVSSYSA-N -1 0 316.789 2.551 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCO[C@@H](C3CC3)C2)c1 ZINC000426518938 419498854 /nfs/dbraw/zinc/49/88/54/419498854.db2.gz JBXZFVKAPLHZEA-CQSZACIVSA-N -1 0 305.330 1.644 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CCO1 ZINC000299752716 229395236 /nfs/dbraw/zinc/39/52/36/229395236.db2.gz VDICCSWTKFLRNA-MDZLAQPJSA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000299751482 229395507 /nfs/dbraw/zinc/39/55/07/229395507.db2.gz QQEJKTZNNVLEPV-OPQQBVKSSA-N -1 0 311.284 1.585 50 0 DDAARM COc1ccc2c(c1)[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])CCC2 ZINC000655541194 424554101 /nfs/dbraw/zinc/55/41/01/424554101.db2.gz YFQBFIYFBKNUOC-UKRRQHHQSA-N -1 0 319.357 1.427 50 0 DDAARM CN(Cc1n[nH]c(=O)[n-]1)C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000426722451 289772378 /nfs/dbraw/zinc/77/23/78/289772378.db2.gz PNZUWUCFTUTDOM-UHFFFAOYSA-N -1 0 319.409 1.724 50 0 DDAARM CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000013255252 295557621 /nfs/dbraw/zinc/55/76/21/295557621.db2.gz VNKNTAYQELMPHE-QWHCGFSZSA-N -1 0 323.370 1.696 50 0 DDAARM Cc1cc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)[O-])sc1C ZINC000263444169 301126330 /nfs/dbraw/zinc/12/63/30/301126330.db2.gz QKUNPVPPHWZOJR-SNVBAGLBSA-N -1 0 320.374 1.374 50 0 DDAARM Cc1csc2ncc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c(=O)n12 ZINC000262899835 302458320 /nfs/dbraw/zinc/45/83/20/302458320.db2.gz ZVEDYWPBKIDELG-SNVBAGLBSA-N -1 0 321.358 1.144 50 0 DDAARM Cn1nc(I)c2ccc(C(=O)[O-])cc21 ZINC000071624290 303043607 /nfs/dbraw/zinc/04/36/07/303043607.db2.gz MOXOSLJBZZVXKZ-UHFFFAOYSA-N -1 0 302.071 1.876 50 0 DDAARM COc1ccccc1OCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000532005030 303269560 /nfs/dbraw/zinc/26/95/60/303269560.db2.gz HXXKMQZYDXIODE-UHFFFAOYSA-N -1 0 323.345 1.166 50 0 DDAARM CC1(C)OCC[C@H]1CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659232166 484702295 /nfs/dbraw/zinc/70/22/95/484702295.db2.gz GFINEQFVAGWQNX-LBPRGKRZSA-N -1 0 307.346 1.695 50 0 DDAARM CC[C@H](C)C(=O)Nc1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000670437286 484829096 /nfs/dbraw/zinc/82/90/96/484829096.db2.gz CTNNRGCVTCICAJ-VIFPVBQESA-N -1 0 317.349 1.425 50 0 DDAARM Cn1c(C(=O)NCc2n[nH]c(=O)[n-]2)cc2cccc(Cl)c21 ZINC000670437811 484829715 /nfs/dbraw/zinc/82/97/15/484829715.db2.gz MUDDARPZFSVHTF-UHFFFAOYSA-N -1 0 305.725 1.585 50 0 DDAARM O=C([O-])CN(C(=O)C[C@@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000299744830 534498219 /nfs/dbraw/zinc/49/82/19/534498219.db2.gz QCZPYGKUILXYRI-LBPRGKRZSA-N -1 0 320.370 1.565 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)CCO1 ZINC000299750462 534524663 /nfs/dbraw/zinc/52/46/63/534524663.db2.gz NMUQGLMBCPTECQ-AWEZNQCLSA-N -1 0 321.348 1.950 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnc(-c2cccs2)s1 ZINC000299748555 534539925 /nfs/dbraw/zinc/53/99/25/534539925.db2.gz HLGIKVIYYRHQRK-MRVPVSSYSA-N -1 0 324.383 1.797 50 0 DDAARM CC(C)[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299743809 528546871 /nfs/dbraw/zinc/54/68/71/528546871.db2.gz MJQGMAWVRPBFKO-DGCLKSJQSA-N -1 0 322.386 1.715 50 0 DDAARM O=C([O-])CN(C(=O)c1cc2c(cc1F)NC(=O)CC2)C1CC1 ZINC000190725466 604922178 /nfs/dbraw/zinc/92/21/78/604922178.db2.gz FOHPTBCJJLBNBG-UHFFFAOYSA-N -1 0 306.293 1.400 50 0 DDAARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000032276271 696123676 /nfs/dbraw/zinc/12/36/76/696123676.db2.gz ZVMHOGGYUSRRSF-LEXSJLIMSA-N -1 0 316.309 1.932 50 0 DDAARM Cn1cc(C=CC(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)cn1 ZINC000877871162 706229312 /nfs/dbraw/zinc/22/93/12/706229312.db2.gz LQMFSUDUXZMSPJ-GZTOBOFZSA-N -1 0 305.338 1.013 50 0 DDAARM Cc1cc(F)ccc1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000095470249 185372767 /nfs/dbraw/zinc/37/27/67/185372767.db2.gz FHJMMMPIPNGDOS-UHFFFAOYSA-N -1 0 304.277 1.633 50 0 DDAARM COC(=O)C[C@@H](c1c(C)[nH][nH]c1=O)c1ccc(C(=O)[O-])cc1 ZINC000095474070 185372996 /nfs/dbraw/zinc/37/29/96/185372996.db2.gz ODVXWZFRGZIBIO-LLVKDONJSA-N -1 0 304.302 1.817 50 0 DDAARM C[S@@](=O)Cc1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000262188179 539275495 /nfs/dbraw/zinc/27/54/95/539275495.db2.gz PNNRUDKHIXLVFF-YCRPNKLZSA-N -1 0 309.387 1.502 50 0 DDAARM Cc1ccc(CC(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)s1 ZINC000262859751 539275896 /nfs/dbraw/zinc/27/58/96/539275896.db2.gz FBGXEBYDRWUVFV-CYBMUJFWSA-N -1 0 311.403 1.843 50 0 DDAARM CCOc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1OC ZINC000095403628 185355171 /nfs/dbraw/zinc/35/51/71/185355171.db2.gz CAGVPOIRQBBWRR-GFCCVEGCSA-N -1 0 323.345 1.410 50 0 DDAARM C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000095424750 185361401 /nfs/dbraw/zinc/36/14/01/185361401.db2.gz FFPXNBSKWKKXNN-WCFLWFBJSA-N -1 0 310.394 1.441 50 0 DDAARM Cn1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1=O ZINC000095425526 185361723 /nfs/dbraw/zinc/36/17/23/185361723.db2.gz HMXDVPRUQDIRRE-UHFFFAOYSA-N -1 0 300.314 1.655 50 0 DDAARM O=S(=O)([N-]c1ccc2nncn2c1)c1ccc(F)cc1F ZINC000095460443 185370733 /nfs/dbraw/zinc/37/07/33/185370733.db2.gz ALPMDUYOMMAMKJ-UHFFFAOYSA-N -1 0 310.285 1.808 50 0 DDAARM Cc1ccc(S(=O)(=O)N[C@H](C)c2ccon2)cc1C(=O)[O-] ZINC000225587014 186280588 /nfs/dbraw/zinc/28/05/88/186280588.db2.gz ZWYXAYVLWWXEQS-SECBINFHSA-N -1 0 310.331 1.721 50 0 DDAARM C[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237456698 186292104 /nfs/dbraw/zinc/29/21/04/186292104.db2.gz IQYCAIWOYCXGAV-YGRLFVJLSA-N -1 0 303.314 1.848 50 0 DDAARM C[C@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000101692826 353923701 /nfs/dbraw/zinc/92/37/01/353923701.db2.gz JNJUYMAVYLYJRG-MWDDYTRKSA-N -1 0 313.309 1.608 50 0 DDAARM Cc1cc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)n(C)n1 ZINC000004110315 181074632 /nfs/dbraw/zinc/07/46/32/181074632.db2.gz VPSDLVBNMBDLNJ-UHFFFAOYSA-N -1 0 308.363 1.547 50 0 DDAARM Cc1nc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)o2)c[nH]1 ZINC000153576794 354199506 /nfs/dbraw/zinc/19/95/06/354199506.db2.gz MKPFWQYTDXHGOB-UHFFFAOYSA-N -1 0 305.319 1.569 50 0 DDAARM CC(C)CS(=O)(=O)[N-]C(=O)c1ccnc(C2CCCC2)n1 ZINC000162122653 354245436 /nfs/dbraw/zinc/24/54/36/354245436.db2.gz LYWATNJQPVKHQP-UHFFFAOYSA-N -1 0 311.407 1.850 50 0 DDAARM O=c1nc(-c2nc[nH]n2)[n-]c2c(-c3ccccc3F)nsc21 ZINC000186996462 354283109 /nfs/dbraw/zinc/28/31/09/354283109.db2.gz SRPDTTVPZHWDGN-UHFFFAOYSA-N -1 0 314.305 1.971 50 0 DDAARM CC1(C)Cc2nc(N3C[C@H](C(=O)[O-])CC3=O)sc2C(=O)C1 ZINC000585122771 354810281 /nfs/dbraw/zinc/81/02/81/354810281.db2.gz CVEUQHZIAINUIR-SSDOTTSWSA-N -1 0 308.359 1.736 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000005020931 181191601 /nfs/dbraw/zinc/19/16/01/181191601.db2.gz PICQEJDBZKDWOD-AWEZNQCLSA-N -1 0 305.355 1.661 50 0 DDAARM O=C1NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000005516115 181252411 /nfs/dbraw/zinc/25/24/11/181252411.db2.gz PVMBQJDYZYHVHZ-UHFFFAOYSA-N -1 0 308.340 1.433 50 0 DDAARM COc1cc(CNC(=O)c2cc(C3CC3)n[nH]2)ccc1C(=O)[O-] ZINC000237325115 202231681 /nfs/dbraw/zinc/23/16/81/202231681.db2.gz LFJJAZGAXYZEJO-UHFFFAOYSA-N -1 0 315.329 1.924 50 0 DDAARM Cc1cccc2[nH]cc(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)c21 ZINC000237736426 202343110 /nfs/dbraw/zinc/34/31/10/202343110.db2.gz IJOPVJZUNMCSIR-CYBMUJFWSA-N -1 0 302.330 1.331 50 0 DDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCn1ccccc1=O ZINC000237925791 202392380 /nfs/dbraw/zinc/39/23/80/202392380.db2.gz WXOXCSXGAJLRAY-ZDUSSCGKSA-N -1 0 306.362 1.484 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCO1 ZINC000238197040 202450643 /nfs/dbraw/zinc/45/06/43/202450643.db2.gz GRSBTIDMHDMJAT-MCIONIFRSA-N -1 0 307.321 1.631 50 0 DDAARM Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(O)c1 ZINC000006623370 181362196 /nfs/dbraw/zinc/36/21/96/181362196.db2.gz RMWIRODICYXOFN-UHFFFAOYSA-N -1 0 323.326 1.905 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)cn1C ZINC000006800559 181391409 /nfs/dbraw/zinc/39/14/09/181391409.db2.gz JNTITMFXTWBTSX-UHFFFAOYSA-N -1 0 312.322 1.752 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1C1CC1 ZINC000091657362 193085710 /nfs/dbraw/zinc/08/57/10/193085710.db2.gz XTJRTNLZTBESBU-NWDGAFQWSA-N -1 0 303.314 1.598 50 0 DDAARM Cc1n[n-]c(SCC(=O)Nc2ccc(F)cc2F)nc1=O ZINC000007026663 181432519 /nfs/dbraw/zinc/43/25/19/181432519.db2.gz WYCNAQAAVBCSGH-UHFFFAOYSA-N -1 0 312.301 1.482 50 0 DDAARM O=C([O-])CC1(NC(=O)c2cnc3ccccc3n2)CCOCC1 ZINC000262405328 203284663 /nfs/dbraw/zinc/28/46/63/203284663.db2.gz ARDBZDNXDHOEPW-UHFFFAOYSA-N -1 0 315.329 1.384 50 0 DDAARM CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)[C@H]1CC(=O)[O-] ZINC000018137590 182094296 /nfs/dbraw/zinc/09/42/96/182094296.db2.gz NEAAMVGPWZFMQJ-LBPRGKRZSA-N -1 0 303.314 1.961 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000019708161 182137578 /nfs/dbraw/zinc/13/75/78/182137578.db2.gz UWOMSRJTBQZUKI-MJBXVCDLSA-N -1 0 301.342 1.858 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000020200933 182196995 /nfs/dbraw/zinc/19/69/95/182196995.db2.gz KVVPTNITOZQRNL-NWDGAFQWSA-N -1 0 308.378 1.101 50 0 DDAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCc2ccco2)C1=O ZINC000020289591 182203161 /nfs/dbraw/zinc/20/31/61/182203161.db2.gz DRDIPGRDASYCTA-OUKQBFOZSA-N -1 0 319.361 1.912 50 0 DDAARM C[C@@H](NC(=O)c1cccc(I)c1)C(=O)[O-] ZINC000020305008 182205113 /nfs/dbraw/zinc/20/51/13/182205113.db2.gz XUOVHYTXFRGXBR-ZCFIWIBFSA-N -1 0 319.098 1.494 50 0 DDAARM Cc1ccc(-c2nnc(CCC(=O)[N-]S(C)(=O)=O)o2)cc1 ZINC000040543833 183099189 /nfs/dbraw/zinc/09/91/89/183099189.db2.gz YXLCTMQCPWCJHO-UHFFFAOYSA-N -1 0 309.347 1.053 50 0 DDAARM COc1ccc(O[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000041539051 183200579 /nfs/dbraw/zinc/20/05/79/183200579.db2.gz SFTQCYDQEXJAPE-LLVKDONJSA-N -1 0 307.346 1.786 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)nc2)CCO1 ZINC000043702594 183382030 /nfs/dbraw/zinc/38/20/30/183382030.db2.gz OKPQWRZDQSHPGT-QMMMGPOBSA-N -1 0 304.224 1.026 50 0 DDAARM C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000106149778 194186612 /nfs/dbraw/zinc/18/66/12/194186612.db2.gz PVGVAUGOXMGBOO-ZWLSGLHFSA-N -1 0 309.387 1.918 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)C[C@H]1OCCc2ccccc21 ZINC000268937117 207101702 /nfs/dbraw/zinc/10/17/02/207101702.db2.gz GZEMGQAOWKCSHT-CQSZACIVSA-N -1 0 307.346 1.250 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000062912995 184259408 /nfs/dbraw/zinc/25/94/08/184259408.db2.gz AXXSFWFSPRIGQX-NSHDSACASA-N -1 0 301.140 1.714 50 0 DDAARM COc1ccc([C@@H](C)CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299745720 533089719 /nfs/dbraw/zinc/08/97/19/533089719.db2.gz SCWDULAITJXTHG-FZMZJTMJSA-N -1 0 307.346 1.501 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2coc(-c3ccccc3)n2)CCO1 ZINC000238124404 256599930 /nfs/dbraw/zinc/59/99/30/256599930.db2.gz NZKXFKWBQYWNHI-CYBMUJFWSA-N -1 0 316.313 1.196 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CCOc3ccccc32)n1 ZINC000122970238 195527459 /nfs/dbraw/zinc/52/74/59/195527459.db2.gz HVIWWXASNRVBFZ-NSHDSACASA-N -1 0 301.302 1.473 50 0 DDAARM O=C([O-])c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO ZINC000037328028 304285841 /nfs/dbraw/zinc/28/58/41/304285841.db2.gz FGOCPFKNBYZDTF-SECBINFHSA-N -1 0 319.404 1.372 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccs1 ZINC000000087734 406619957 /nfs/dbraw/zinc/61/99/57/406619957.db2.gz NQNOZBXLAORQQT-LLVKDONJSA-N -1 0 311.384 1.722 50 0 DDAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)CCC(=O)[O-] ZINC000000116320 406623330 /nfs/dbraw/zinc/62/33/30/406623330.db2.gz LRMIGYOXHGKQNU-UHFFFAOYSA-N -1 0 311.290 1.294 50 0 DDAARM CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000000186576 406629638 /nfs/dbraw/zinc/62/96/38/406629638.db2.gz OVCLKPWJYGPZOR-SECBINFHSA-N -1 0 322.180 1.591 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000000994408 406661112 /nfs/dbraw/zinc/66/11/12/406661112.db2.gz LQTZDQAIZXYQHK-UHFFFAOYSA-N -1 0 319.342 1.159 50 0 DDAARM CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000001576009 406673051 /nfs/dbraw/zinc/67/30/51/406673051.db2.gz XCHVIDSCZYPFTR-DGCLKSJQSA-N -1 0 322.361 1.671 50 0 DDAARM CCOc1cc(C(=O)NCC(=O)[O-])cc(OCC)c1OCC ZINC000002650185 406693428 /nfs/dbraw/zinc/69/34/28/406693428.db2.gz SISIZEYKBBNLND-UHFFFAOYSA-N -1 0 311.334 1.697 50 0 DDAARM C[C@@H]1CCc2c(sc(NC(=O)/C=C\C(=O)[O-])c2C(N)=O)C1 ZINC000005962086 406735133 /nfs/dbraw/zinc/73/51/33/406735133.db2.gz KXNCBDSJOMTCSV-IQXGSHKSSA-N -1 0 308.359 1.551 50 0 DDAARM CC(C)C[C@H](NC(=O)c1n[nH]c(=O)c2ccccc21)C(=O)[O-] ZINC000008135448 406778703 /nfs/dbraw/zinc/77/87/03/406778703.db2.gz DQJNAXKZLKNIPP-NSHDSACASA-N -1 0 303.318 1.152 50 0 DDAARM CCS(=O)(=O)[N-]c1cc(C(=O)OC)ccc1C(=O)OC ZINC000008325700 406786225 /nfs/dbraw/zinc/78/62/25/406786225.db2.gz QXJMVVRILWFLCB-UHFFFAOYSA-N -1 0 301.320 1.021 50 0 DDAARM COc1ccc(CC(=O)Nc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000009202553 406805370 /nfs/dbraw/zinc/80/53/70/406805370.db2.gz LALDRGFHBDAXST-UHFFFAOYSA-N -1 0 313.317 1.328 50 0 DDAARM Cn1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2CCc2cccnc2)cn1 ZINC000072275737 406877919 /nfs/dbraw/zinc/87/79/19/406877919.db2.gz UTJJSEVFJARAEC-DZGCQCFKSA-N -1 0 314.345 1.032 50 0 DDAARM C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])C[C@@H](C)O1 ZINC000015996637 406882859 /nfs/dbraw/zinc/88/28/59/406882859.db2.gz ZJOGADBZWGFYOX-YRGRVCCFSA-N -1 0 306.362 1.501 50 0 DDAARM CC1CCN(c2ncc(NS(C)(=O)=O)cc2C(=O)[O-])CC1 ZINC000035397327 406972151 /nfs/dbraw/zinc/97/21/51/406972151.db2.gz FPADRHBZZOVKAQ-UHFFFAOYSA-N -1 0 313.379 1.388 50 0 DDAARM O=C([O-])CCN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000035686960 406974189 /nfs/dbraw/zinc/97/41/89/406974189.db2.gz LPMFZBROHLEZMO-UHFFFAOYSA-N -1 0 314.744 1.712 50 0 DDAARM CCn1ncc(CN(C)C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000036624032 406981437 /nfs/dbraw/zinc/98/14/37/406981437.db2.gz NPTZEOQWGAHHSZ-KBPBESRZSA-N -1 0 305.378 1.837 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccnc1Cl ZINC000037591747 406991966 /nfs/dbraw/zinc/99/19/66/406991966.db2.gz SUEJAPSGBQTIOA-QMMMGPOBSA-N -1 0 306.771 1.609 50 0 DDAARM C[C@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088376297 407122305 /nfs/dbraw/zinc/12/23/05/407122305.db2.gz XMHMHCHSYVZVPS-ONGXEEELSA-N -1 0 313.737 1.419 50 0 DDAARM COCc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000089420399 407133218 /nfs/dbraw/zinc/13/32/18/407133218.db2.gz GKYRSEITAYOAOD-NSHDSACASA-N -1 0 320.370 1.715 50 0 DDAARM COc1cc(F)c(S(=O)(=O)[N-]c2noc(C)n2)cc1OC ZINC000089718473 407145387 /nfs/dbraw/zinc/14/53/87/407145387.db2.gz WBCBHCJTQCWFOR-UHFFFAOYSA-N -1 0 317.298 1.335 50 0 DDAARM CC[C@@H](Nc1cccc(OC)c1)C(=O)NCCCc1nnn[n-]1 ZINC000055183198 407196493 /nfs/dbraw/zinc/19/64/93/407196493.db2.gz GBGITYZCHUVYDV-CYBMUJFWSA-N -1 0 318.381 1.148 50 0 DDAARM Cc1nnc(CN(C)[C@@H](C(=O)[O-])c2ccc3c(c2)OCO3)o1 ZINC000095387707 407213202 /nfs/dbraw/zinc/21/32/02/407213202.db2.gz PLZTYSPGRCJLDH-CYBMUJFWSA-N -1 0 305.290 1.364 50 0 DDAARM CCCS(=O)(=O)[N-]C(=O)c1cnn(C)c1-n1c(C)ccc1C ZINC000095960719 407217730 /nfs/dbraw/zinc/21/77/30/407217730.db2.gz ZYQFOVMSHQJVCD-UHFFFAOYSA-N -1 0 324.406 1.297 50 0 DDAARM CN(C)C(=O)CC[C@@H]1CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000096151206 407240552 /nfs/dbraw/zinc/24/05/52/407240552.db2.gz ZPEKYJBQLCBUNS-LBPRGKRZSA-N -1 0 305.378 1.865 50 0 DDAARM CC(C)c1nc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cs1 ZINC000096485683 407271423 /nfs/dbraw/zinc/27/14/23/407271423.db2.gz HTMSSGRXZGTJKK-SECBINFHSA-N -1 0 306.395 1.799 50 0 DDAARM Cc1cc(F)cc(S(=O)(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000170598978 407449853 /nfs/dbraw/zinc/44/98/53/407449853.db2.gz MPRBVPCPCPMKRF-VIFPVBQESA-N -1 0 313.358 1.071 50 0 DDAARM Cc1cscc1C(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000170611831 407453858 /nfs/dbraw/zinc/45/38/58/407453858.db2.gz WFNUOAUZAVGAQZ-UHFFFAOYSA-N -1 0 300.336 1.709 50 0 DDAARM CC(C)c1ocnc1C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000170625362 407456828 /nfs/dbraw/zinc/45/68/28/407456828.db2.gz WFZQIMAJEBXUQX-SNVBAGLBSA-N -1 0 316.379 1.427 50 0 DDAARM Cc1cc(C)c(N2C[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC2=O)c(C)c1 ZINC000178831242 407619467 /nfs/dbraw/zinc/61/94/67/407619467.db2.gz IOIHHRZABURJCX-QWHCGFSZSA-N -1 0 318.373 1.554 50 0 DDAARM Cc1cc(CN2CCN(C(=O)c3ccc(F)cc3[O-])CC2)no1 ZINC000178996770 407685285 /nfs/dbraw/zinc/68/52/85/407685285.db2.gz SAPIHRITHYTXNH-UHFFFAOYSA-N -1 0 319.336 1.786 50 0 DDAARM CC(C)[S@](=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000236703214 407755214 /nfs/dbraw/zinc/75/52/14/407755214.db2.gz SSYNJDXEQKLVBQ-ZSEKCTLFSA-N -1 0 309.387 1.892 50 0 DDAARM CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000236616256 407735839 /nfs/dbraw/zinc/73/58/39/407735839.db2.gz LMWGKIGWQYKPMV-BDAKNGLRSA-N -1 0 324.299 1.013 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000262438182 407833200 /nfs/dbraw/zinc/83/32/00/407833200.db2.gz UCZAUFOEGFPRMM-LOWVWBTDSA-N -1 0 309.749 1.961 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc(CN2CCCC2=O)cc1)C1CC1 ZINC000238087227 407886757 /nfs/dbraw/zinc/88/67/57/407886757.db2.gz SQFPUPGSBVAFRN-UHFFFAOYSA-N -1 0 316.357 1.498 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2cc3ccccc3o2)CCO1 ZINC000238126889 407892136 /nfs/dbraw/zinc/89/21/36/407892136.db2.gz FYGXWGUUPABVDD-VBROQKIQSA-N -1 0 301.298 1.758 50 0 DDAARM CN(CCC(=O)[O-])C(=O)CCN1C(=O)CCc2ccccc21 ZINC000262493371 407848047 /nfs/dbraw/zinc/84/80/47/407848047.db2.gz GTBBXOHBDGNBMS-UHFFFAOYSA-N -1 0 304.346 1.289 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)[C@@H]1C[C@H]1c1cccnc1 ZINC000242288044 407915792 /nfs/dbraw/zinc/91/57/92/407915792.db2.gz YKQHYNAICXDHPC-HZSPNIEDSA-N -1 0 324.402 1.200 50 0 DDAARM C[C@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)[C@@H]1C(=O)[O-] ZINC000263011737 408001822 /nfs/dbraw/zinc/00/18/22/408001822.db2.gz BYEBVHQBBMWJRW-CABZTGNLSA-N -1 0 305.334 1.503 50 0 DDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)CNC(=O)c1cccc(F)c1 ZINC000263463296 408145861 /nfs/dbraw/zinc/14/58/61/408145861.db2.gz CFYWBWYQGCHFEZ-CMPLNLGQSA-N -1 0 322.336 1.267 50 0 DDAARM CC(C)(C)n1nc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C1CC1 ZINC000268978396 408223351 /nfs/dbraw/zinc/22/33/51/408223351.db2.gz LKNVQIQLJTWVKR-CYBMUJFWSA-N -1 0 321.377 1.441 50 0 DDAARM COCc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)o1 ZINC000192997752 408680742 /nfs/dbraw/zinc/68/07/42/408680742.db2.gz LCRHDBHWGIUALQ-UHFFFAOYSA-N -1 0 307.306 1.695 50 0 DDAARM O=C([N-]S(=O)(=O)CCCF)c1csc([C@H]2CCCO2)n1 ZINC000166797088 408816340 /nfs/dbraw/zinc/81/63/40/408816340.db2.gz NWAKEVYSGLUFQX-SECBINFHSA-N -1 0 322.383 1.414 50 0 DDAARM O=C(NCCc1nnn[n-]1)Nc1ccccc1C(F)(F)F ZINC000313993932 409817616 /nfs/dbraw/zinc/81/76/16/409817616.db2.gz YFEAKKTYHYCWPD-UHFFFAOYSA-N -1 0 300.244 1.583 50 0 DDAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299751314 410605882 /nfs/dbraw/zinc/60/58/82/410605882.db2.gz QHMFLZPOLSTYFF-UFBFGSQYSA-N -1 0 315.272 1.044 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cc(F)ccc1Cl ZINC000299769013 410614147 /nfs/dbraw/zinc/61/41/47/410614147.db2.gz LCTZRIAOXQZIDL-VIFPVBQESA-N -1 0 301.701 1.795 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000133069103 196308872 /nfs/dbraw/zinc/30/88/72/196308872.db2.gz TVNJYRJGODQZPI-GJZGRUSLSA-N -1 0 318.373 1.577 50 0 DDAARM Cc1ccccc1CS(=O)(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000134032842 196355504 /nfs/dbraw/zinc/35/55/04/196355504.db2.gz DKULFOHNLFPEMS-NSHDSACASA-N -1 0 309.395 1.073 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnc(-c2ncccn2)s1 ZINC000136493924 196538537 /nfs/dbraw/zinc/53/85/37/196538537.db2.gz IBLLXAZVPDWGFE-SECBINFHSA-N -1 0 318.358 1.679 50 0 DDAARM CC[C@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000049514608 418478753 /nfs/dbraw/zinc/47/87/53/418478753.db2.gz FWWYFESKVPIIQX-QMMMGPOBSA-N -1 0 315.782 1.839 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]C(=O)c2cocn2)c(C)c1C ZINC000117540103 418501799 /nfs/dbraw/zinc/50/17/99/418501799.db2.gz AGMMYEKUCIHLDY-UHFFFAOYSA-N -1 0 310.331 1.419 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000194463069 418544519 /nfs/dbraw/zinc/54/45/19/418544519.db2.gz GZMXESVEZAEGPU-NWDGAFQWSA-N -1 0 314.345 1.559 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2cnn(-c3ccccc3)c2)C1 ZINC000492182762 421210651 /nfs/dbraw/zinc/21/06/51/421210651.db2.gz POMHLYXFFPFIHD-AFNCTOJWSA-N -1 0 311.341 1.819 50 0 DDAARM Cc1cn(CC(=O)N2CCC[C@H]2C(=O)[O-])nc1C(F)(F)F ZINC000630174441 421936409 /nfs/dbraw/zinc/93/64/09/421936409.db2.gz CABQHNVPXAJVTL-QMMMGPOBSA-N -1 0 305.256 1.286 50 0 DDAARM O=C([O-])[C@@H](CNC(=O)c1cnn(C2CC2)c1)c1ccc(F)cc1 ZINC000630178504 421940571 /nfs/dbraw/zinc/94/05/71/421940571.db2.gz SJTVTPMSMRCPMQ-AWEZNQCLSA-N -1 0 317.320 1.955 50 0 DDAARM COc1cccc(C[C@H](NC(=O)[C@@H]2O[C@@H](C)C[C@@H]2C)C(=O)[O-])c1 ZINC000630246029 421984887 /nfs/dbraw/zinc/98/48/87/421984887.db2.gz ZUXCZZZOUFVRRA-LWWSYDQCSA-N -1 0 321.373 1.621 50 0 DDAARM CC[C@H](C)C1C(=O)N=C(SCC(=O)NC(C)(C)C)N=C1[O-] ZINC000013453835 287785487 /nfs/dbraw/zinc/78/54/87/287785487.db2.gz KJIXSZSGJVDEFB-QMMMGPOBSA-N -1 0 313.423 1.996 50 0 DDAARM CC(=O)SCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000059695384 278222883 /nfs/dbraw/zinc/22/28/83/278222883.db2.gz KYUIXIAQYIPVNT-ZDUSSCGKSA-N -1 0 307.371 1.694 50 0 DDAARM CC(C)(CC(=O)NCc1ccccc1-n1ccnc1)C(=O)[O-] ZINC000169987583 278596831 /nfs/dbraw/zinc/59/68/31/278596831.db2.gz SXELQTQCIQLEMK-UHFFFAOYSA-N -1 0 301.346 1.989 50 0 DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2nccn2C)c(OC)n1 ZINC000095365571 295203186 /nfs/dbraw/zinc/20/31/86/295203186.db2.gz SSHZLMSGAJHAHW-ZDUSSCGKSA-N -1 0 320.349 1.090 50 0 DDAARM Cc1cc(C)n(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC000237655836 301237930 /nfs/dbraw/zinc/23/79/30/301237930.db2.gz ATZYQCCWVOCOHB-HNNXBMFYSA-N -1 0 313.357 1.538 50 0 DDAARM Cc1ccccc1[C@@]1(O)CCN(c2ncncc2CC(=O)[O-])C1 ZINC000095383787 302170160 /nfs/dbraw/zinc/17/01/60/302170160.db2.gz PHWOZKREFBSDNB-QGZVFWFLSA-N -1 0 313.357 1.510 50 0 DDAARM CN(CC(=O)[O-])c1ncc(CN2CCc3sccc3C2)cn1 ZINC000534650496 334311814 /nfs/dbraw/zinc/31/18/14/334311814.db2.gz YEWRVMYYYJONPC-UHFFFAOYSA-N -1 0 318.402 1.617 50 0 DDAARM O=C([O-])[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)CC1CC1 ZINC000656244882 484043689 /nfs/dbraw/zinc/04/36/89/484043689.db2.gz UJPMNGZOSRFXFK-SNVBAGLBSA-N -1 0 306.318 1.084 50 0 DDAARM CC[C@@H](C)C(=O)Nc1cccc(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000670437285 484828639 /nfs/dbraw/zinc/82/86/39/484828639.db2.gz CTNNRGCVTCICAJ-SECBINFHSA-N -1 0 317.349 1.425 50 0 DDAARM C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000668282177 485074977 /nfs/dbraw/zinc/07/49/77/485074977.db2.gz MHHJYDGZSXPJDJ-DOMZBBRYSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000299752780 534526622 /nfs/dbraw/zinc/52/66/22/534526622.db2.gz VJLMNTGIWLTSNI-AGIUHOORSA-N -1 0 309.749 1.756 50 0 DDAARM Cc1oc(CNC(=O)[C@@H](C)OC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299750746 534544632 /nfs/dbraw/zinc/54/46/32/534544632.db2.gz OGIWKELWOUGWMK-MNOVXSKESA-N -1 0 311.334 1.487 50 0 DDAARM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc2c(c1)OCCO2 ZINC000299742508 526971593 /nfs/dbraw/zinc/97/15/93/526971593.db2.gz JSGOPELWERYLSR-UHFFFAOYSA-N -1 0 307.346 1.965 50 0 DDAARM CC[C@H](Oc1ccccc1C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299743779 529163403 /nfs/dbraw/zinc/16/34/03/529163403.db2.gz MEBTTXPZPUSRHZ-JSGCOSHPSA-N -1 0 307.346 1.464 50 0 DDAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2ncsc2c1 ZINC000262492177 698471581 /nfs/dbraw/zinc/47/15/81/698471581.db2.gz XOJFQHRISFSZBH-SSDOTTSWSA-N -1 0 300.361 1.390 50 0 DDAARM CO[N-]C(=O)[C@@H]1CCCN1C(=O)c1cncn1-c1ccccc1 ZINC000585089458 771939462 /nfs/dbraw/zinc/93/94/62/771939462.db2.gz OGWKMDAFQSUJLB-ZDUSSCGKSA-N -1 0 314.345 1.155 50 0 DDAARM Cn1ncc([N-]S(=O)(=O)c2cnc(Cl)n2C)c1Cl ZINC000585119077 771951692 /nfs/dbraw/zinc/95/16/92/771951692.db2.gz PGEZMXTXSXBVGQ-UHFFFAOYSA-N -1 0 310.166 1.261 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cnc(OC)nc2)cc1F ZINC000585434486 773682849 /nfs/dbraw/zinc/68/28/49/773682849.db2.gz YSUFGXANKLHZKH-UHFFFAOYSA-N -1 0 313.310 1.434 50 0 DDAARM Cc1ccc(Br)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000078998462 185143549 /nfs/dbraw/zinc/14/35/49/185143549.db2.gz NHEWXDCJLZAOIG-UHFFFAOYSA-N -1 0 311.139 1.099 50 0 DDAARM COc1ccc(Cl)cc1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088373529 185247223 /nfs/dbraw/zinc/24/72/23/185247223.db2.gz MTOFMOFACVSPPG-NSHDSACASA-N -1 0 313.737 1.203 50 0 DDAARM CCC[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1nnn[n-]1 ZINC000089949685 185271240 /nfs/dbraw/zinc/27/12/40/185271240.db2.gz GQSFSNULOUDJEZ-ZDUSSCGKSA-N -1 0 311.349 1.657 50 0 DDAARM Cn1nccc1/C=C\C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000255565662 282265925 /nfs/dbraw/zinc/26/59/25/282265925.db2.gz GFBDKQGFZSNTQU-XHPSBEMXSA-N -1 0 311.341 1.471 50 0 DDAARM CCn1cc(C(=O)NC[C@@H](Cc2ccccc2C)C(=O)[O-])cn1 ZINC000097018808 185397959 /nfs/dbraw/zinc/39/79/59/185397959.db2.gz XEIPTWVFDGNHRR-CQSZACIVSA-N -1 0 315.373 1.885 50 0 DDAARM Cc1cccc(C[C@H](CNC(=O)Cn2cccn2)C(=O)[O-])c1 ZINC000097018772 185398026 /nfs/dbraw/zinc/39/80/26/185398026.db2.gz LRHUDJTXFARHQO-CQSZACIVSA-N -1 0 301.346 1.251 50 0 DDAARM COCCn1cc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000170091820 197770508 /nfs/dbraw/zinc/77/05/08/197770508.db2.gz WYRPTKSMMPXKRW-YPMHNXCESA-N -1 0 309.366 1.302 50 0 DDAARM O=C([O-])CN(C(=O)Cc1ccc2c[nH]nc2c1)C1CCOCC1 ZINC000563957247 303983761 /nfs/dbraw/zinc/98/37/61/303983761.db2.gz BNACOULDMWYLPF-UHFFFAOYSA-N -1 0 317.345 1.198 50 0 DDAARM Cc1cc(C)cc(NC(=O)C2=NN(CC(=O)[O-])C(=O)CC2)c1 ZINC000072265058 191090048 /nfs/dbraw/zinc/09/00/48/191090048.db2.gz MLEKQFWWKCYCNB-UHFFFAOYSA-N -1 0 303.318 1.305 50 0 DDAARM CN1c2ccccc2[C@@]2(N=C(C(=O)[O-])c3ccccc3N2C)C1=O ZINC000022147430 352176602 /nfs/dbraw/zinc/17/66/02/352176602.db2.gz BEGMESPZANKSHG-SFHVURJKSA-N -1 0 321.336 1.840 50 0 DDAARM CC(C)(C)c1cc(CN2CCc3nc[nH]c3[C@@H]2C(=O)[O-])[nH]n1 ZINC000072423430 191158472 /nfs/dbraw/zinc/15/84/72/191158472.db2.gz HREGSGSWPRSVTD-CYBMUJFWSA-N -1 0 303.366 1.614 50 0 DDAARM COc1cc(I)c(CC(=O)[O-])cc1OC ZINC000000402596 180778090 /nfs/dbraw/zinc/77/80/90/180778090.db2.gz MHGZTNSPOYJSRM-UHFFFAOYSA-N -1 0 322.098 1.936 50 0 DDAARM Cc1cc(C)nc(NC(=N)Nc2ccc(S(=O)(=O)[O-])cc2)n1 ZINC000002288757 180918713 /nfs/dbraw/zinc/91/87/13/180918713.db2.gz DOBPFNKCYLZEAB-UHFFFAOYSA-N -1 0 321.362 1.799 50 0 DDAARM O=C([O-])CN1C(=O)[C@@H](Oc2ccccc2)[C@H]1c1ccccc1O ZINC000075272618 353357463 /nfs/dbraw/zinc/35/74/63/353357463.db2.gz XCUTXZYWXRZWSL-CVEARBPZSA-N -1 0 313.309 1.808 50 0 DDAARM CCCn1nc(C(=O)NCc2ccc(C(=O)[O-])cc2)ccc1=O ZINC000075572409 353368086 /nfs/dbraw/zinc/36/80/86/353368086.db2.gz VIFCEKDZLUBLJC-UHFFFAOYSA-N -1 0 315.329 1.282 50 0 DDAARM Cc1ccccc1C[C@H](CNC(=O)c1cnn(C)c1)C(=O)[O-] ZINC000097228532 353918063 /nfs/dbraw/zinc/91/80/63/353918063.db2.gz LPOSLGYXJWMOKE-CYBMUJFWSA-N -1 0 301.346 1.402 50 0 DDAARM CCCCN1CCN([C@@H](C(=O)[O-])c2ccccc2)C(=O)C1=O ZINC000114671599 353982073 /nfs/dbraw/zinc/98/20/73/353982073.db2.gz SEIQXCKNGFVQAK-CYBMUJFWSA-N -1 0 304.346 1.283 50 0 DDAARM COc1cc2cc(C(=O)N[C@@H](C)C(=O)[O-])n(C)c2cc1OC ZINC000004000445 181061269 /nfs/dbraw/zinc/06/12/69/181061269.db2.gz GVIGKRRXDTZNIY-QMMMGPOBSA-N -1 0 306.318 1.398 50 0 biogenic DDAARM O=C(CCc1ccsc1)[N-]S(=O)(=O)c1ncccc1F ZINC000195580243 354298597 /nfs/dbraw/zinc/29/85/97/354298597.db2.gz BQLQWWYREBPFLT-UHFFFAOYSA-N -1 0 314.363 1.720 50 0 DDAARM O=C([O-])c1ccc(CNc2c(=O)c(=O)c2N2CCCCC2)cc1 ZINC000004687979 181137235 /nfs/dbraw/zinc/13/72/35/181137235.db2.gz GXLJAZLNRHXXNW-UHFFFAOYSA-N -1 0 314.341 1.583 50 0 DDAARM O=C([O-])CCN(C(=O)[C@@H]1Cc2ccccc2O1)C1CCOCC1 ZINC000299747972 304052169 /nfs/dbraw/zinc/05/21/69/304052169.db2.gz FQDOUWMQCZRMFL-HNNXBMFYSA-N -1 0 319.357 1.472 50 0 DDAARM CCCc1noc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000236946674 202085741 /nfs/dbraw/zinc/08/57/41/202085741.db2.gz AYNMPLCBEBFQAI-NSHDSACASA-N -1 0 309.366 1.668 50 0 DDAARM CCn1ncc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C(F)(F)F ZINC000236978714 202105484 /nfs/dbraw/zinc/10/54/84/202105484.db2.gz QQYNZAQBTMTITH-LBPRGKRZSA-N -1 0 319.283 1.859 50 0 DDAARM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnco2)c1 ZINC000089642992 192834028 /nfs/dbraw/zinc/83/40/28/192834028.db2.gz OWRIZLOCRUGTOT-UHFFFAOYSA-N -1 0 323.374 1.978 50 0 DDAARM Cn1nnc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc21 ZINC000237829702 202364135 /nfs/dbraw/zinc/36/41/35/202364135.db2.gz LTGJUKKLTNSANX-GFCCVEGCSA-N -1 0 316.361 1.828 50 0 DDAARM O=C([O-])CNC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000237923038 202391229 /nfs/dbraw/zinc/39/12/29/202391229.db2.gz KAHKITHZAXEWCW-UHFFFAOYSA-N -1 0 304.346 1.307 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000262699132 304103013 /nfs/dbraw/zinc/10/30/13/304103013.db2.gz YIFAXYNGMODAEY-QWRGUYRKSA-N -1 0 322.327 1.726 50 0 DDAARM C[C@H](NS(=O)(=O)c1cccc2c1cccc2N(C)C)C(=O)[O-] ZINC000002579056 299330606 /nfs/dbraw/zinc/33/06/06/299330606.db2.gz JCIYZTBXUJCAMW-JTQLQIEISA-N -1 0 322.386 1.657 50 0 DDAARM O=C([O-])[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000098211119 304111154 /nfs/dbraw/zinc/11/11/54/304111154.db2.gz SEGWDKUGXPSWJM-LLVKDONJSA-N -1 0 300.362 1.909 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cn1 ZINC000006706511 181374744 /nfs/dbraw/zinc/37/47/44/181374744.db2.gz SMYJMEOJBZDAHV-UHFFFAOYSA-N -1 0 311.363 1.721 50 0 DDAARM CS(=O)(=O)[N-]c1nnc(CCCOc2ccccc2)s1 ZINC000006706818 181375089 /nfs/dbraw/zinc/37/50/89/181375089.db2.gz KYJPNCJWHXGSOS-UHFFFAOYSA-N -1 0 313.404 1.921 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(c2nccnc2OC)C1 ZINC000091664872 193087377 /nfs/dbraw/zinc/08/73/77/193087377.db2.gz CLOZRQPDLPECOB-OAHLLOKOSA-N -1 0 309.366 1.583 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CCO1 ZINC000299742841 304131719 /nfs/dbraw/zinc/13/17/19/304131719.db2.gz KWBUARUFPLWLHI-SOUVJXGZSA-N -1 0 319.357 1.466 50 0 DDAARM COc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])nn1 ZINC000262317420 203259449 /nfs/dbraw/zinc/25/94/49/203259449.db2.gz CEJNAGOTXFSIJR-WCQGTBRESA-N -1 0 305.334 1.343 50 0 DDAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)COCC(F)(F)F ZINC000262498969 203310621 /nfs/dbraw/zinc/31/06/21/203310621.db2.gz LTSCPHMSTRZLIY-GFCCVEGCSA-N -1 0 317.263 1.776 50 0 DDAARM O=C([O-])C[C@H]1CCCN1C(=O)CN1C(=O)CCc2ccccc21 ZINC000263068052 203433919 /nfs/dbraw/zinc/43/39/19/203433919.db2.gz XYHBRNUNMRYZEU-CYBMUJFWSA-N -1 0 316.357 1.432 50 0 DDAARM COc1cccc(-c2n[nH]cc2C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000095362867 193432189 /nfs/dbraw/zinc/43/21/89/193432189.db2.gz WCUJIGMOKCIYHS-SECBINFHSA-N -1 0 303.318 1.678 50 0 DDAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000009761519 181639617 /nfs/dbraw/zinc/63/96/17/181639617.db2.gz BUTRDLXFWYTEHL-UHFFFAOYSA-N -1 0 309.347 1.398 50 0 DDAARM O=C([O-])CCCC[C@@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1O ZINC000015108255 181989193 /nfs/dbraw/zinc/98/91/93/181989193.db2.gz NKOOGOGYJCUKMS-IPYPFGDCSA-N -1 0 323.414 1.906 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCCCn1nccc1C1CC1 ZINC000020616871 182239495 /nfs/dbraw/zinc/23/94/95/182239495.db2.gz NDUVPWNYMUGQBJ-UHFFFAOYSA-N -1 0 317.349 1.012 50 0 DDAARM O=C([O-])[C@H]1CCCC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000095399987 304181413 /nfs/dbraw/zinc/18/14/13/304181413.db2.gz NAAMMCVMDYTXQH-RYUDHWBXSA-N -1 0 306.318 1.897 50 0 DDAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1cccnc1 ZINC000024962654 182396323 /nfs/dbraw/zinc/39/63/23/182396323.db2.gz VYXQBIXWGYRIKK-UHFFFAOYSA-N -1 0 323.349 1.522 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000299747443 304199610 /nfs/dbraw/zinc/19/96/10/304199610.db2.gz DAMROVHKODEDIY-CYBMUJFWSA-N -1 0 306.293 1.162 50 0 DDAARM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)CCCC1 ZINC000040481048 183076879 /nfs/dbraw/zinc/07/68/79/183076879.db2.gz JIHTZALQOPCXIJ-UHFFFAOYSA-N -1 0 318.329 1.991 50 0 DDAARM CS(=O)(=O)[N-]C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000040543922 183099244 /nfs/dbraw/zinc/09/92/44/183099244.db2.gz HMKLQDBJUSOCNK-UHFFFAOYSA-N -1 0 323.349 1.190 50 0 DDAARM COc1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)c(OC)c1 ZINC000268948384 207113111 /nfs/dbraw/zinc/11/31/11/207113111.db2.gz NZICDJIQZNASMC-XBXARRHUSA-N -1 0 305.330 1.793 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@H]1CCc2ccccc2C1 ZINC000268995110 207150604 /nfs/dbraw/zinc/15/06/04/207150604.db2.gz VNMKHVXDPAIZQE-SWLSCSKDSA-N -1 0 303.358 1.494 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1cc2ccccc2o1 ZINC000269001399 207155171 /nfs/dbraw/zinc/15/51/71/207155171.db2.gz YTFPDKXEYDMLEB-URWSZGRFSA-N -1 0 301.298 1.758 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000062119972 184207241 /nfs/dbraw/zinc/20/72/41/184207241.db2.gz YAHRVLPJFNSLGL-SSDOTTSWSA-N -1 0 307.730 1.574 50 0 DDAARM COc1ccc(NC(=O)c2c([O-])c3cccnc3[nH]c2=O)cc1 ZINC000065249530 184318673 /nfs/dbraw/zinc/31/86/73/184318673.db2.gz MUPIQYUVXZYJSA-UHFFFAOYSA-N -1 0 311.297 1.890 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)s1 ZINC000262763811 304233252 /nfs/dbraw/zinc/23/32/52/304233252.db2.gz KSJIPGAEJOUZBM-RKDXNWHRSA-N -1 0 308.359 1.330 50 0 DDAARM COc1ccc(NC(=O)C(C)C)c(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000065375351 184331380 /nfs/dbraw/zinc/33/13/80/184331380.db2.gz BFGDHWAJRWCJFT-SNVBAGLBSA-N -1 0 320.345 1.727 50 0 DDAARM O=C([N-]S(=O)(=O)CCCF)c1ccc(-c2cnccn2)cc1 ZINC000154533280 196971874 /nfs/dbraw/zinc/97/18/74/196971874.db2.gz XPZWAMQQLNKYOU-UHFFFAOYSA-N -1 0 323.349 1.563 50 0 DDAARM COc1cc(CCC(=O)N2CC[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000269132717 256625164 /nfs/dbraw/zinc/62/51/64/256625164.db2.gz BWBCIYZKSDDTNT-LBPRGKRZSA-N -1 0 307.346 1.570 50 0 DDAARM Cc1ccc(CNC(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)o1 ZINC000218585059 257274200 /nfs/dbraw/zinc/27/42/00/257274200.db2.gz PGKRZXXYTVVPIO-INIZCTEOSA-N -1 0 322.361 1.498 50 0 DDAARM CN1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1=O ZINC000124806932 195681644 /nfs/dbraw/zinc/68/16/44/195681644.db2.gz GNDZKMNXPXFKOF-LLVKDONJSA-N -1 0 318.373 1.856 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@](C)(C(=O)[O-])C1)C2 ZINC000299746530 533280841 /nfs/dbraw/zinc/28/08/41/533280841.db2.gz YAFUCVFBDFDPNB-SJCJKPOMSA-N -1 0 319.357 1.570 50 0 DDAARM COc1cc(C(=O)N(C)CCCC(=O)[O-])cc2c1OCCO2 ZINC000294457405 533509510 /nfs/dbraw/zinc/50/95/10/533509510.db2.gz TVDLLSCORQHYGX-UHFFFAOYSA-N -1 0 309.318 1.403 50 0 DDAARM CCOC(=O)c1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1 ZINC000012395608 285961931 /nfs/dbraw/zinc/96/19/31/285961931.db2.gz AIBJHPLDHYYNJV-UHFFFAOYSA-N -1 0 303.196 1.623 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCCCC1 ZINC000000215160 406630621 /nfs/dbraw/zinc/63/06/21/406630621.db2.gz SSIIBIGRHVVLAP-UHFFFAOYSA-N -1 0 313.375 1.958 50 0 DDAARM COc1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])cc1OC ZINC000002833062 406702003 /nfs/dbraw/zinc/70/20/03/406702003.db2.gz CQRHVMIOQLYZOA-JTQLQIEISA-N -1 0 313.375 1.640 50 0 DDAARM O=C([O-])CSc1nc2cc(F)c(N3CCOCC3)cc2[nH]1 ZINC000005818833 406736868 /nfs/dbraw/zinc/73/68/68/406736868.db2.gz VEPPUNHSAODJIR-UHFFFAOYSA-N -1 0 311.338 1.715 50 0 DDAARM CC1=C(C)C[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H](C(=O)[O-])C1 ZINC000006698962 406737966 /nfs/dbraw/zinc/73/79/66/406737966.db2.gz XXBQGGRUDNJBIH-KBPBESRZSA-N -1 0 323.389 1.799 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CSC)cc1OC ZINC000013184028 406859401 /nfs/dbraw/zinc/85/94/01/406859401.db2.gz LQSRBCCZCLBEKH-JTQLQIEISA-N -1 0 313.375 1.699 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000013267707 406860535 /nfs/dbraw/zinc/86/05/35/406860535.db2.gz QCYIGVVBNSLJRX-CYBMUJFWSA-N -1 0 309.387 1.661 50 0 DDAARM O=S(=O)([N-]c1cnc(N2CCCC2)nc1)c1cccs1 ZINC000075162114 406926158 /nfs/dbraw/zinc/92/61/58/406926158.db2.gz LSXPXZNEYIOUGG-UHFFFAOYSA-N -1 0 310.404 1.939 50 0 DDAARM COCCn1c2nc(C3CC3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617288 406980609 /nfs/dbraw/zinc/98/06/09/406980609.db2.gz STPPXFWXAIJFSQ-UHFFFAOYSA-N -1 0 321.358 1.676 50 0 DDAARM Cn1ncc2c1NC(=O)C[C@@H]2c1ccccc1OCC(=O)[O-] ZINC000049546370 407123161 /nfs/dbraw/zinc/12/31/61/407123161.db2.gz UVXLPVMOHUVBIG-SNVBAGLBSA-N -1 0 301.302 1.358 50 0 DDAARM Cc1ccnc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000095939333 407215491 /nfs/dbraw/zinc/21/54/91/407215491.db2.gz NYYHUCSHVMQCCK-UHFFFAOYSA-N -1 0 315.358 1.772 50 0 DDAARM Cc1ccc(/C=C/C(=O)[N-]S(=O)(=O)c2cccs2)cn1 ZINC000095942844 407216257 /nfs/dbraw/zinc/21/62/57/407216257.db2.gz UPHRFKSKNBRRDE-VOTSOKGWSA-N -1 0 308.384 1.970 50 0 DDAARM O=C([O-])c1cc(N2Cc3cnn(CCO)c3C2)nc2ccccc21 ZINC000067946380 407291226 /nfs/dbraw/zinc/29/12/26/407291226.db2.gz NMEZEXAIVXZGAD-UHFFFAOYSA-N -1 0 324.340 1.642 50 0 DDAARM CCCCn1nc(CC(N)=O)nc1-c1cccc(C(=O)[O-])c1 ZINC000097495057 407298578 /nfs/dbraw/zinc/29/85/78/407298578.db2.gz SAVDWSQMDNRGNC-UHFFFAOYSA-N -1 0 302.334 1.471 50 0 DDAARM CCC[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000170656062 407465932 /nfs/dbraw/zinc/46/59/32/407465932.db2.gz RGPPKROOYARCPC-KGLIPLIRSA-N -1 0 315.377 1.861 50 0 DDAARM COc1ccc(CN(C)Cc2cc[nH]n2)cc1OCC(=O)[O-] ZINC000215835455 407489351 /nfs/dbraw/zinc/48/93/51/407489351.db2.gz KLIVMKNAULPESY-UHFFFAOYSA-N -1 0 305.334 1.514 50 0 DDAARM CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000236608467 407733349 /nfs/dbraw/zinc/73/33/49/407733349.db2.gz LMWGKIGWQYKPMV-IUCAKERBSA-N -1 0 324.299 1.013 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000236628586 407734556 /nfs/dbraw/zinc/73/45/56/407734556.db2.gz APECBMFDCZDOQQ-KOTGUFOOSA-N -1 0 307.321 1.931 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000237282418 407809862 /nfs/dbraw/zinc/80/98/62/407809862.db2.gz NIROUHKGCLCCOF-ZJUUUORDSA-N -1 0 313.300 1.628 50 0 DDAARM Cc1ccc2ncc(C(=O)N3CCCC[C@H]3C(=O)[O-])c(=O)n2c1 ZINC000262511926 407852847 /nfs/dbraw/zinc/85/28/47/407852847.db2.gz BOUKMRVSGSPYTM-LBPRGKRZSA-N -1 0 315.329 1.082 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(-n3cccn3)c(F)c2)CCC1 ZINC000237979696 407860590 /nfs/dbraw/zinc/86/05/90/407860590.db2.gz GQLYMEZGZBBQNZ-UHFFFAOYSA-N -1 0 303.293 1.749 50 0 DDAARM CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000241965756 407912171 /nfs/dbraw/zinc/91/21/71/407912171.db2.gz UVJGUJUZJSWLNH-WXRRBKDZSA-N -1 0 324.421 1.783 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(-n2ccnn2)c1 ZINC000238055549 407878756 /nfs/dbraw/zinc/87/87/56/407878756.db2.gz KKJJITWWKKLWBI-CYBMUJFWSA-N -1 0 300.318 1.347 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2COc3ccccc3C2)o1 ZINC000238125368 407893843 /nfs/dbraw/zinc/89/38/43/407893843.db2.gz KGUQFZKQYJGZCQ-LLVKDONJSA-N -1 0 301.298 1.845 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)Cc1ccccc1C ZINC000240471679 407907503 /nfs/dbraw/zinc/90/75/03/407907503.db2.gz GDTOTPOARKSVNK-UHFFFAOYSA-N -1 0 321.402 1.605 50 0 DDAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC000263360967 408119717 /nfs/dbraw/zinc/11/97/17/408119717.db2.gz UDYFVSIHYQFTRN-CZUORRHYSA-N -1 0 307.321 1.829 50 0 DDAARM Cc1ccn(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(=O)c1 ZINC000263411093 408133810 /nfs/dbraw/zinc/13/38/10/408133810.db2.gz IXOIIWBISXLINN-IHRRRGAJSA-N -1 0 318.373 1.401 50 0 DDAARM CCC1(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000263538257 408167194 /nfs/dbraw/zinc/16/71/94/408167194.db2.gz PNSCMKFXRUJQRK-UHFFFAOYSA-N -1 0 311.359 1.917 50 0 DDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(C3CC3)on2)cn1 ZINC000192994187 408681066 /nfs/dbraw/zinc/68/10/66/408681066.db2.gz YDZXMLLTVJNKOB-UHFFFAOYSA-N -1 0 304.306 1.821 50 0 DDAARM CN1CC[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)CC1=O ZINC000163556440 408782093 /nfs/dbraw/zinc/78/20/93/408782093.db2.gz VYLHTSXGEYMVQP-QMMMGPOBSA-N -1 0 305.359 1.923 50 0 DDAARM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccnc1)OCC(=O)N2 ZINC000252495845 408800627 /nfs/dbraw/zinc/80/06/27/408800627.db2.gz PCTJMZZMYFEDRB-UHFFFAOYSA-N -1 0 319.342 1.522 50 0 DDAARM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000252539861 408805066 /nfs/dbraw/zinc/80/50/66/408805066.db2.gz OOHYQHJCSCBNLQ-RWMBFGLXSA-N -1 0 324.421 1.783 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000262724238 163869815 /nfs/dbraw/zinc/86/98/15/163869815.db2.gz RMWHCGHNXHSRGS-NEPJUHHUSA-N -1 0 300.318 1.250 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](NC(=O)NCCCC(=O)[O-])C2 ZINC000263313481 163948818 /nfs/dbraw/zinc/94/88/18/163948818.db2.gz ZDNKOMWJTQEPBW-NSHDSACASA-N -1 0 308.334 1.163 50 0 DDAARM CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000314983153 409833519 /nfs/dbraw/zinc/83/35/19/409833519.db2.gz QVGFNRNMOUBFJI-BMWLXYDHSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1[nH]c2c(cccc2F)c1CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000299787475 410627198 /nfs/dbraw/zinc/62/71/98/410627198.db2.gz ODDNGRQPXHBKLX-JYAVWHMHSA-N -1 0 316.332 1.947 50 0 DDAARM COCCc1ccnc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000647702381 423005461 /nfs/dbraw/zinc/00/54/61/423005461.db2.gz VGZAPBJOKBLLHY-NWDGAFQWSA-N -1 0 307.350 1.645 50 0 DDAARM C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccc(Cl)s1 ZINC000044916427 418432198 /nfs/dbraw/zinc/43/21/98/418432198.db2.gz PIHFFLLJHITFSY-SSDOTTSWSA-N -1 0 313.766 1.541 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000044979081 418435652 /nfs/dbraw/zinc/43/56/52/418435652.db2.gz LCXGIEJJXNOLKC-UKRRQHHQSA-N -1 0 319.357 1.678 50 0 DDAARM O=C([O-])[C@@H]1CCN1S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290973013 222040354 /nfs/dbraw/zinc/04/03/54/222040354.db2.gz OYBOKTBQTWBUSI-YFKPBYRVSA-N -1 0 315.294 1.615 50 0 DDAARM C[C@@H]1CC[C@@H](CCC(=O)N(CCC(=O)[O-])C2CCOCC2)O1 ZINC000408513279 418805934 /nfs/dbraw/zinc/80/59/34/418805934.db2.gz KRGJNHUAAIHFMO-OCCSQVGLSA-N -1 0 313.394 1.816 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000408526062 418810003 /nfs/dbraw/zinc/81/00/03/418810003.db2.gz PIAFMJQZUOMCFK-IYNGYCSASA-N -1 0 317.341 1.937 50 0 DDAARM CCOC(=O)C(C(=O)OCC)=C([O-])c1cc(C(C)C)nn1C ZINC000408715672 418810617 /nfs/dbraw/zinc/81/06/17/418810617.db2.gz CIPHPAJWDQRZHC-UHFFFAOYSA-N -1 0 310.350 1.469 50 0 DDAARM C[C@H]1Cc2cc(C(=O)NC3(C(=O)[O-])CCOCC3)ccc2O1 ZINC000426490583 228579104 /nfs/dbraw/zinc/57/91/04/228579104.db2.gz MFHNZLMLUMCVLR-JTQLQIEISA-N -1 0 305.330 1.374 50 0 DDAARM CSCC[C@H](NC(=O)c1c[nH]c(=O)c(Cl)c1)C(=O)[O-] ZINC000426535103 419502324 /nfs/dbraw/zinc/50/23/24/419502324.db2.gz IGIKJQJGJHPYKR-QMMMGPOBSA-N -1 0 304.755 1.377 50 0 DDAARM Cc1cc(C)c(C)c(OCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000299749626 229393935 /nfs/dbraw/zinc/39/39/35/229393935.db2.gz LBRIHODGFQSXRV-HNNXBMFYSA-N -1 0 321.373 1.693 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2cc3ccccc3o2)CCO1 ZINC000492178916 421209735 /nfs/dbraw/zinc/20/97/35/421209735.db2.gz FYGXWGUUPABVDD-GEXIGZQTSA-N -1 0 301.298 1.758 50 0 DDAARM CCOc1ccc(/C=C\C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000321410463 271026638 /nfs/dbraw/zinc/02/66/38/271026638.db2.gz MMWJAEIGXLXACX-GTBONMDNSA-N -1 0 319.357 1.801 50 0 DDAARM CC(=O)NCSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002517122 278118622 /nfs/dbraw/zinc/11/86/22/278118622.db2.gz SUSPMXBDNAADFK-SECBINFHSA-N -1 0 320.411 1.570 50 0 DDAARM CC(=O)N[C@@](C)(C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000035287532 278151840 /nfs/dbraw/zinc/15/18/40/278151840.db2.gz YIXFNBHXEPDILZ-OAHLLOKOSA-N -1 0 314.382 1.613 50 0 DDAARM CC(C)c1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cn1 ZINC000132119606 280599374 /nfs/dbraw/zinc/59/93/74/280599374.db2.gz BARNBRQQIIVHCW-UHFFFAOYSA-N -1 0 310.297 1.827 50 0 DDAARM CC(=O)Nc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1C ZINC000236755387 281875639 /nfs/dbraw/zinc/87/56/39/281875639.db2.gz NVZXGCUOPZAGMJ-ZDUSSCGKSA-N -1 0 304.346 1.890 50 0 DDAARM Cc1cc2c(cc1C)[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])CO2 ZINC000263130114 301445601 /nfs/dbraw/zinc/44/56/01/301445601.db2.gz LLVZXKGQPFMSSA-CHWSQXEVSA-N -1 0 305.330 1.091 50 0 DDAARM Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCOCC3)cc21 ZINC000021658116 302910064 /nfs/dbraw/zinc/91/00/64/302910064.db2.gz IPOXFGCXYRJVGA-UHFFFAOYSA-N -1 0 306.293 1.212 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)cn1 ZINC000659240870 484706008 /nfs/dbraw/zinc/70/60/08/484706008.db2.gz JGRASALFTQFEAT-VIFPVBQESA-N -1 0 318.251 1.573 50 0 DDAARM C[C@@H]1OCCC[C@@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000668287616 485079318 /nfs/dbraw/zinc/07/93/18/485079318.db2.gz HLAYXEKCUFJUMJ-LEWSCRJBSA-N -1 0 309.337 1.925 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CCO1 ZINC000299742039 534538448 /nfs/dbraw/zinc/53/84/48/534538448.db2.gz ATNDHHDKXQTLNS-SWLSCSKDSA-N -1 0 303.358 1.494 50 0 DDAARM C[C@@H]1C[C@H](NC(=O)C2(C(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000154935688 525422158 /nfs/dbraw/zinc/42/21/58/525422158.db2.gz PAEQGWYVRVTOLK-PWSUYJOCSA-N -1 0 302.330 1.161 50 0 DDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000390908840 545661866 /nfs/dbraw/zinc/66/18/66/545661866.db2.gz WBXPINAVJNBKRV-KBPBESRZSA-N -1 0 322.405 1.491 50 0 DDAARM CCN(Cc1nc(COC)no1)Cc1ccc(O)c(C(=O)[O-])c1 ZINC000055370414 696284143 /nfs/dbraw/zinc/28/41/43/696284143.db2.gz FDUGQBANXYAHQH-UHFFFAOYSA-N -1 0 321.333 1.642 50 0 DDAARM O=C([O-])c1cnc(N2CCSCC2)nc1-c1ccccn1 ZINC000169751793 697344061 /nfs/dbraw/zinc/34/40/61/697344061.db2.gz CNYUQJOKWADWHA-UHFFFAOYSA-N -1 0 302.359 1.790 50 0 DDAARM COc1ccc(NC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000169785276 697345713 /nfs/dbraw/zinc/34/57/13/697345713.db2.gz AJJFTYJVANMMIH-SNVBAGLBSA-N -1 0 302.338 1.620 50 0 DDAARM O=C([O-])C[C@H](NC(=O)CCCN1CCCC1=O)c1ccccc1 ZINC000952964755 721528761 /nfs/dbraw/zinc/52/87/61/721528761.db2.gz PHWYEBNVJSFYLS-AWEZNQCLSA-N -1 0 318.373 1.721 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCCN1CCCC1=O ZINC000952989775 721533071 /nfs/dbraw/zinc/53/30/71/721533071.db2.gz SJSJYLJOPJASFQ-CQSZACIVSA-N -1 0 318.373 1.201 50 0 DDAARM C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C1=CCCCC1 ZINC000828479660 759661797 /nfs/dbraw/zinc/66/17/97/759661797.db2.gz FPWYYHXCQZFVDT-LLVKDONJSA-N -1 0 316.423 1.506 50 0 DDAARM CCC(CC)C(=O)[N-]S(=O)(=O)c1ccc2nc[nH]c(=O)c2c1 ZINC000952848752 775571294 /nfs/dbraw/zinc/57/12/94/775571294.db2.gz JMZPKPWXGCEOKE-UHFFFAOYSA-N -1 0 323.374 1.577 50 0 DDAARM C[C@@H]1CN(C(=O)c2ccc(Cn3ccnc3)cc2)C[C@H]1C(=O)[O-] ZINC000263118241 539275951 /nfs/dbraw/zinc/27/59/51/539275951.db2.gz DZXUHYJVKFTOAX-IUODEOHRSA-N -1 0 313.357 1.724 50 0 DDAARM Cc1cc(F)cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000263204932 539275956 /nfs/dbraw/zinc/27/59/56/539275956.db2.gz XZHFSNUVTLSTIV-BXKDBHETSA-N -1 0 301.339 1.475 50 0 DDAARM CC(C)(CNC(=O)c1n[nH]c(=O)[n-]1)c1c(F)cccc1Cl ZINC000095404723 185355461 /nfs/dbraw/zinc/35/54/61/185355461.db2.gz KPZZXXHDGNYRBO-UHFFFAOYSA-N -1 0 312.732 1.598 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000095441721 185366392 /nfs/dbraw/zinc/36/63/92/185366392.db2.gz QLMIMGQSEAJPNS-LBPRGKRZSA-N -1 0 320.324 1.471 50 0 DDAARM Cc1c(C(=O)NC[C@H](Cc2ccc(C)cc2)C(=O)[O-])cnn1C ZINC000097018832 185398040 /nfs/dbraw/zinc/39/80/40/185398040.db2.gz GFJKBKWSCFGOLG-AWEZNQCLSA-N -1 0 315.373 1.710 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000491891591 529934426 /nfs/dbraw/zinc/93/44/26/529934426.db2.gz JHNASBWXEFANPR-PIZKADEWSA-N -1 0 316.357 1.383 50 0 DDAARM O=C([O-])c1cc(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)ccn1 ZINC000634964053 422735706 /nfs/dbraw/zinc/73/57/06/422735706.db2.gz LWNUIJWAVPLHHY-HUUCEWRRSA-N -1 0 300.314 1.408 50 0 DDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-n2cccn2)c1 ZINC000071714719 191010421 /nfs/dbraw/zinc/01/04/21/191010421.db2.gz LHVOVWXKHDMOJX-UHFFFAOYSA-N -1 0 309.347 1.257 50 0 DDAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)[C@H]1CCSC1 ZINC000152634321 186091925 /nfs/dbraw/zinc/09/19/25/186091925.db2.gz QHZNRQYFUITYAM-VIFPVBQESA-N -1 0 321.427 1.789 50 0 DDAARM C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)[O-])n1C ZINC000072328111 191123491 /nfs/dbraw/zinc/12/34/91/191123491.db2.gz SFYVDPSBNCGJRY-VIFPVBQESA-N -1 0 320.374 1.483 50 0 DDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(OC)OC)c2=O ZINC000000425238 352109216 /nfs/dbraw/zinc/10/92/16/352109216.db2.gz LEUBLNPTNIWHKR-UHFFFAOYSA-N -1 0 324.358 1.465 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(c3noc(C(C)C)n3)CC2)c1 ZINC000072425423 191159520 /nfs/dbraw/zinc/15/95/20/191159520.db2.gz IBPIVTIBFLCXNC-UHFFFAOYSA-N -1 0 319.365 1.778 50 0 DDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 ZINC000001926594 180902080 /nfs/dbraw/zinc/90/20/80/180902080.db2.gz DZHGMNKEFWRXLK-LLVKDONJSA-N -1 0 300.717 1.254 50 0 DDAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000076094838 353398020 /nfs/dbraw/zinc/39/80/20/353398020.db2.gz XMKJTIRDGQRWMI-ZIAGYGMSSA-N -1 0 320.370 1.733 50 0 DDAARM C[C@H](c1ccccc1)N1C[C@@H](C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000096595575 353915398 /nfs/dbraw/zinc/91/53/98/353915398.db2.gz IYHIUUSHYJZJMG-OCCSQVGLSA-N -1 0 318.373 1.529 50 0 DDAARM COc1cccc(-c2nc(C[S@@](=O)CC(=O)[O-])c(C)o2)c1 ZINC000003913630 181058032 /nfs/dbraw/zinc/05/80/32/181058032.db2.gz KZTOCSCQOARFRW-NRFANRHFSA-N -1 0 309.343 1.992 50 0 DDAARM Cc1nc([C@H](C)NC(=O)Cc2cc(=O)[nH][n-]c2=O)c(C)s1 ZINC000584885023 354788294 /nfs/dbraw/zinc/78/82/94/354788294.db2.gz VEGHQMZBQOGNHT-LURJTMIESA-N -1 0 308.363 1.381 50 0 DDAARM O=C(COc1ccccc1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000585139745 354813988 /nfs/dbraw/zinc/81/39/88/354813988.db2.gz SNXGZZHFZCDKRF-HNNXBMFYSA-N -1 0 309.329 1.484 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1cccnc1 ZINC000004914048 181172185 /nfs/dbraw/zinc/17/21/85/181172185.db2.gz JCMKPPCHIHRPFV-UHFFFAOYSA-N -1 0 305.359 1.383 50 0 DDAARM O=C(NCCCN1C(=O)CCC1=O)c1ccc([O-])c(Cl)c1 ZINC000078775180 191931083 /nfs/dbraw/zinc/93/10/83/191931083.db2.gz INCLQQLREBUJIN-UHFFFAOYSA-N -1 0 310.737 1.315 50 0 DDAARM CCOc1ccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000005615659 181263937 /nfs/dbraw/zinc/26/39/37/181263937.db2.gz KBDLTQVZHOOQRZ-UHFFFAOYSA-N -1 0 320.374 1.603 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000236829010 202029795 /nfs/dbraw/zinc/02/97/95/202029795.db2.gz YQESIPNISPUUES-UHFFFAOYSA-N -1 0 318.373 1.746 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000236997374 202115408 /nfs/dbraw/zinc/11/54/08/202115408.db2.gz RTEQCVVUISZIAD-RISCZKNCSA-N -1 0 320.393 1.309 50 0 DDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237565219 202285017 /nfs/dbraw/zinc/28/50/17/202285017.db2.gz XJUGXQGZGGCMIU-SECBINFHSA-N -1 0 318.251 1.334 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)NCCCC(=O)[O-])C2=O)cc1 ZINC000237784734 202353881 /nfs/dbraw/zinc/35/38/81/202353881.db2.gz ZZGGUNVVNDNREW-CYBMUJFWSA-N -1 0 304.346 1.329 50 0 DDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237787645 202354742 /nfs/dbraw/zinc/35/47/42/202354742.db2.gz ZIVMAKIEFJGQLQ-TUAOUCFPSA-N -1 0 309.387 1.862 50 0 DDAARM COc1cc(OC)c(C(=O)NC2(C(=O)[O-])CCCC2)cc1OC ZINC000244840252 202500623 /nfs/dbraw/zinc/50/06/23/202500623.db2.gz UJTVRQFAUASQRL-UHFFFAOYSA-N -1 0 323.345 1.840 50 0 DDAARM CCN1CCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000006600367 181359315 /nfs/dbraw/zinc/35/93/15/181359315.db2.gz MKDWQZFSAYGTTL-VMPITWQZSA-N -1 0 324.402 1.111 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000006746598 181381898 /nfs/dbraw/zinc/38/18/98/181381898.db2.gz OCSDLMSPYUUVFP-SNVBAGLBSA-N -1 0 301.339 1.619 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C1CC1 ZINC000091602852 193078682 /nfs/dbraw/zinc/07/86/82/193078682.db2.gz UBDDSEYIUPPTDV-UONOGXRCSA-N -1 0 313.357 1.606 50 0 DDAARM CCc1cc(C(=O)N2CCC[C@@](CCOC)(C(=O)[O-])C2)n(C)n1 ZINC000091745779 193100412 /nfs/dbraw/zinc/10/04/12/193100412.db2.gz MWQDASZWCUERHK-INIZCTEOSA-N -1 0 323.393 1.326 50 0 DDAARM CCN(CC(=O)[O-])C(=O)/C=C\c1cn(Cc2ccccc2)nn1 ZINC000221911294 201596704 /nfs/dbraw/zinc/59/67/04/201596704.db2.gz AKYYTTZKZBHHQS-HJWRWDBZSA-N -1 0 314.345 1.273 50 0 DDAARM CCc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])s1 ZINC000222459762 201610949 /nfs/dbraw/zinc/61/09/49/201610949.db2.gz RZVMQSLJKDCFMT-MNOVXSKESA-N -1 0 313.375 1.299 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000262398491 203283309 /nfs/dbraw/zinc/28/33/09/203283309.db2.gz GZNSVJVPIQLALV-JSGCOSHPSA-N -1 0 321.373 1.924 50 0 DDAARM COc1ccc([C@@H](NC(=O)[C@@H]2CCCOC2)C(=O)[O-])cc1F ZINC000263177399 203442682 /nfs/dbraw/zinc/44/26/82/203442682.db2.gz WSCOXBKELZODEU-ZWNOBZJWSA-N -1 0 311.309 1.503 50 0 DDAARM COCCCn1c(C(=O)[O-])cc2c1nc1c(C)cccn1c2=O ZINC000096347464 193615188 /nfs/dbraw/zinc/61/51/88/193615188.db2.gz NFICTCYBSUKPDE-UHFFFAOYSA-N -1 0 315.329 1.692 50 0 DDAARM C[C@@H](Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1)C(=O)[O-] ZINC000008666589 181571756 /nfs/dbraw/zinc/57/17/56/181571756.db2.gz LVBAFVRFSULYKD-SECBINFHSA-N -1 0 313.317 1.465 50 0 DDAARM CCN(Cc1ccncc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000012545497 181774129 /nfs/dbraw/zinc/77/41/29/181774129.db2.gz MPMMLVJJJVYOSS-UHFFFAOYSA-N -1 0 320.370 1.991 50 0 DDAARM COc1csc(C(=O)NCCc2nc(C(=O)[O-])cs2)c1 ZINC000161947556 197532502 /nfs/dbraw/zinc/53/25/02/197532502.db2.gz SJAWEPMOSHMGBE-UHFFFAOYSA-N -1 0 312.372 1.884 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)cc1OC ZINC000016129722 182035030 /nfs/dbraw/zinc/03/50/30/182035030.db2.gz SBEBEHBKVFDVJU-UHFFFAOYSA-N -1 0 311.363 1.845 50 0 DDAARM COc1ccc(-c2nc(CC(=O)NCC(=O)[O-])cs2)cc1 ZINC000020732355 182244873 /nfs/dbraw/zinc/24/48/73/182244873.db2.gz CSXOYLBBNRHULF-UHFFFAOYSA-N -1 0 306.343 1.562 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000268997316 304199825 /nfs/dbraw/zinc/19/98/25/304199825.db2.gz WTJSCCUEZUCAJH-LLVKDONJSA-N -1 0 317.263 1.560 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@@H]2COc3ccccc3C2)CCSC1 ZINC000043508920 183367806 /nfs/dbraw/zinc/36/78/06/183367806.db2.gz KDBHRYOBJLXMKI-NHYWBVRUSA-N -1 0 307.371 1.314 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2ccc(C(F)(F)F)nc2)CCSC1 ZINC000043511022 183368681 /nfs/dbraw/zinc/36/86/81/183368681.db2.gz GJIBTQJYYHYDOB-NSHDSACASA-N -1 0 320.292 1.791 50 0 DDAARM C[C@@H](Cn1cccn1)NC(=O)c1ccccc1NCC(=O)[O-] ZINC000055383786 183983775 /nfs/dbraw/zinc/98/37/75/183983775.db2.gz WQDSHLIXIYGQSW-NSHDSACASA-N -1 0 302.334 1.198 50 0 DDAARM CC(C)(C)c1ncc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000268974460 207136441 /nfs/dbraw/zinc/13/64/41/207136441.db2.gz IXOBAWDKUUJDHT-SGUJLRQBSA-N -1 0 324.402 1.766 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000269043926 207193864 /nfs/dbraw/zinc/19/38/64/207193864.db2.gz SBUYPVWRIAPCOA-CJNGLKHVSA-N -1 0 317.385 1.884 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)C1 ZINC000062132660 184207784 /nfs/dbraw/zinc/20/77/84/184207784.db2.gz HNIDYXFNWNMNPK-ZDUSSCGKSA-N -1 0 309.387 1.661 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)c(C)n1C ZINC000064923148 184306065 /nfs/dbraw/zinc/30/60/65/184306065.db2.gz DIKZVFHOYSGQBY-UHFFFAOYSA-N -1 0 308.359 1.921 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000065406776 184338610 /nfs/dbraw/zinc/33/86/10/184338610.db2.gz DQGPECFPYKSWHI-SECBINFHSA-N -1 0 305.265 1.309 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]C(=O)CC(C)(C)C)cc1OC ZINC000065611077 184373054 /nfs/dbraw/zinc/37/30/54/184373054.db2.gz SYPBOWGRTMXWSJ-UHFFFAOYSA-N -1 0 315.391 1.945 50 0 DDAARM COCc1nc(C)c(C(=O)[N-]S(=O)(=O)CC(C)C)s1 ZINC000121727211 195335525 /nfs/dbraw/zinc/33/55/25/195335525.db2.gz RUZBOVCBPCLGNE-UHFFFAOYSA-N -1 0 306.409 1.314 50 0 DDAARM CCc1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(OC)c2)co1 ZINC000127692819 195901027 /nfs/dbraw/zinc/90/10/27/195901027.db2.gz WOICADAJPFDECO-UHFFFAOYSA-N -1 0 324.358 1.505 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000000147577 304284280 /nfs/dbraw/zinc/28/42/80/304284280.db2.gz ZDCSNXLQFLPXIV-UHFFFAOYSA-N -1 0 315.285 1.588 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2nccc(OC)n2)C1 ZINC000091649948 292379368 /nfs/dbraw/zinc/37/93/68/292379368.db2.gz DFYFXBKMNVNWPX-HNNXBMFYSA-N -1 0 309.366 1.583 50 0 DDAARM C[C@@H](O)[C@@H](Nc1ccccc1CC(=O)OC(C)(C)C)C(=O)[O-] ZINC000000088509 406620825 /nfs/dbraw/zinc/62/08/25/406620825.db2.gz VCESZMABSRMDDJ-QMTHXVAHSA-N -1 0 309.362 1.817 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000000169238 406626131 /nfs/dbraw/zinc/62/61/31/406626131.db2.gz WQUWIRWFTDFGFT-UHFFFAOYSA-N -1 0 303.767 1.825 50 0 DDAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000166172 406626290 /nfs/dbraw/zinc/62/62/90/406626290.db2.gz RDYJUVZFLCNBPH-ZDUSSCGKSA-N -1 0 309.318 1.930 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000000527857 406654573 /nfs/dbraw/zinc/65/45/73/406654573.db2.gz KGZXPTQGWLZTSD-NSHDSACASA-N -1 0 313.375 1.489 50 0 DDAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cccnc2)c1 ZINC000000377283 406643171 /nfs/dbraw/zinc/64/31/71/406643171.db2.gz NHEKNUOZZDVNIW-UHFFFAOYSA-N -1 0 301.327 1.907 50 0 DDAARM Cc1cc(C)c(C)c(OC[C@@H](O)CN(C)S(=O)(=O)[O-])c1 ZINC000003156760 406713565 /nfs/dbraw/zinc/71/35/65/406713565.db2.gz DSKCVNSKFXXSTQ-LBPRGKRZSA-N -1 0 303.380 1.086 50 0 DDAARM O=C([O-])CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000003195865 406713983 /nfs/dbraw/zinc/71/39/83/406713983.db2.gz VOYPZWCTJMAJRB-QPJJXVBHSA-N -1 0 302.374 1.709 50 0 DDAARM CCCNC(=O)c1c([O-])c2cc(OC)c(OC)cc2[nH]c1=O ZINC000009108892 406802395 /nfs/dbraw/zinc/80/23/95/406802395.db2.gz MGGFNEKUEPENEK-UHFFFAOYSA-N -1 0 306.318 1.391 50 0 DDAARM CCC(=O)c1c([O-])[nH]c(=O)n(-c2cccc3ccccc32)c1=O ZINC000009190227 406804630 /nfs/dbraw/zinc/80/46/30/406804630.db2.gz LHDHOVXIXRXHDR-UHFFFAOYSA-N -1 0 310.309 1.977 50 0 DDAARM CC[C@@H](C(=O)[O-])[S@@](=O)Cc1nnnn1-c1c(C)cccc1C ZINC000170602781 286747625 /nfs/dbraw/zinc/74/76/25/286747625.db2.gz UICMFYVOZGXFAB-SAHAZLINSA-N -1 0 322.390 1.391 50 0 DDAARM CNC(=O)Cc1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071284985 406836228 /nfs/dbraw/zinc/83/62/28/406836228.db2.gz QUYPKXORQOBTNJ-CHWSQXEVSA-N -1 0 304.346 1.270 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000071286304 406837183 /nfs/dbraw/zinc/83/71/83/406837183.db2.gz HTLGGZBODHPFSC-VXGBXAGGSA-N -1 0 304.302 1.962 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000013252360 406859981 /nfs/dbraw/zinc/85/99/81/406859981.db2.gz MHWCFCIGKOYFER-QWHCGFSZSA-N -1 0 302.330 1.652 50 0 DDAARM COc1cc(C)ccc1OCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170919 406860081 /nfs/dbraw/zinc/86/00/81/406860081.db2.gz ZNIJPHBZNCURRM-GFCCVEGCSA-N -1 0 307.346 1.706 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cnn(C(C)(C)C)c1 ZINC000072275635 406877249 /nfs/dbraw/zinc/87/72/49/406877249.db2.gz GMTBAEJXQHGIJD-GXTWGEPZSA-N -1 0 323.393 1.649 50 0 DDAARM Cc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2CCCn2ccnc2)o1 ZINC000072275664 406877908 /nfs/dbraw/zinc/87/79/08/406877908.db2.gz ZZDOPXZVKXNTMX-SWLSCSKDSA-N -1 0 317.345 1.849 50 0 DDAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)cc1C ZINC000022584982 406890619 /nfs/dbraw/zinc/89/06/19/406890619.db2.gz MYMNOJVNYMCIJQ-OAHLLOKOSA-N -1 0 319.405 1.333 50 0 DDAARM Cc1cc(C)n([N-]C(=O)c2ccc(Cn3ccnc3)o2)c(=O)c1 ZINC000071479625 406841103 /nfs/dbraw/zinc/84/11/03/406841103.db2.gz RCKHOCJPUFZVOC-UHFFFAOYSA-N -1 0 312.329 1.687 50 0 DDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)NCc1ccccc1 ZINC000071776485 406842136 /nfs/dbraw/zinc/84/21/36/406842136.db2.gz WFQSOTHZCAPDBA-UHFFFAOYSA-N -1 0 305.359 1.232 50 0 DDAARM O=C(CCc1nnc(-c2ccc(F)c(F)c2)[n-]c1=O)NC1CC1 ZINC000034768357 406965648 /nfs/dbraw/zinc/96/56/48/406965648.db2.gz SERYGASINRTETD-UHFFFAOYSA-N -1 0 320.299 1.734 50 0 DDAARM O=C([O-])c1ccc(CN2CCN(C3CCCC3)C(=O)C2=O)cc1 ZINC000032918676 406956114 /nfs/dbraw/zinc/95/61/14/406956114.db2.gz UUBCQGPYAOAEMS-UHFFFAOYSA-N -1 0 316.357 1.498 50 0 DDAARM CC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000037913984 406995377 /nfs/dbraw/zinc/99/53/77/406995377.db2.gz RDEKTJGRWQERJF-SNVBAGLBSA-N -1 0 313.375 1.957 50 0 DDAARM O=C([O-])CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000038342283 407000775 /nfs/dbraw/zinc/00/07/75/407000775.db2.gz PGTLAEWYSFMXAF-MRXNPFEDSA-N -1 0 324.336 1.585 50 0 DDAARM O=C([O-])Cn1cc(OCc2ccccc2Cl)c(=O)cc1CO ZINC000079482789 407055790 /nfs/dbraw/zinc/05/57/90/407055790.db2.gz FCYCZJXUEKIEOF-UHFFFAOYSA-N -1 0 323.732 1.658 50 0 DDAARM CCCCc1nc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c[nH]1 ZINC000095504180 407214349 /nfs/dbraw/zinc/21/43/49/407214349.db2.gz MGTLNIRPJXTXHO-ZDUSSCGKSA-N -1 0 303.366 1.487 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000095977599 407220325 /nfs/dbraw/zinc/22/03/25/407220325.db2.gz BBKFXTWNDPXGRI-UHFFFAOYSA-N -1 0 312.572 1.927 50 0 DDAARM COc1cc(CCC(=O)NC2(C(=O)[O-])CCC2)cc(OC)c1 ZINC000095989669 407221832 /nfs/dbraw/zinc/22/18/32/407221832.db2.gz AYTMIIALDNBTOK-UHFFFAOYSA-N -1 0 307.346 1.760 50 0 DDAARM O=C([O-])c1ccc(-c2cncc(C(=O)N3CCOCC3)n2)s1 ZINC000067459936 407273877 /nfs/dbraw/zinc/27/38/77/407273877.db2.gz XMKPSRNVRFKCAF-UHFFFAOYSA-N -1 0 319.342 1.376 50 0 DDAARM O=S(=O)([N-]c1cnn(CCO)c1)c1ccc2ccccc2c1 ZINC000067659856 407278224 /nfs/dbraw/zinc/27/82/24/407278224.db2.gz WTZOFDZLRTYQLD-UHFFFAOYSA-N -1 0 317.370 1.829 50 0 DDAARM C[C@H](c1cccnc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000100838129 407308423 /nfs/dbraw/zinc/30/84/23/407308423.db2.gz YJVLFNZBZUJYKU-BVEFZAQCSA-N -1 0 300.314 1.009 50 0 DDAARM CSc1c[n-]n(S(=O)(=O)CCCC(F)(F)F)c1=N ZINC000253426885 407448948 /nfs/dbraw/zinc/44/89/48/407448948.db2.gz JAURTZOICDOMLE-UHFFFAOYSA-N -1 0 303.331 1.538 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)CN1CCc2sccc2C1)C(=O)[O-] ZINC000225510994 407595322 /nfs/dbraw/zinc/59/53/22/407595322.db2.gz IPEUNMNARIGJFK-HZMBPMFUSA-N -1 0 310.419 1.722 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000236711687 407758010 /nfs/dbraw/zinc/75/80/10/407758010.db2.gz KNPWRFGOCMHKRH-UHFFFAOYSA-N -1 0 318.373 1.678 50 0 DDAARM CC(=O)N(CCC(=O)N1CCC[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000236717761 407758252 /nfs/dbraw/zinc/75/82/52/407758252.db2.gz TWGBWVUFRNYHTK-HNNXBMFYSA-N -1 0 318.373 1.501 50 0 DDAARM O=C([O-])c1ccc(C(=O)NC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000262320529 407797298 /nfs/dbraw/zinc/79/72/98/407797298.db2.gz RVMXUZOOEPZQDM-UHFFFAOYSA-N -1 0 316.357 1.516 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](CC(C)C)C(=O)[O-] ZINC000262348744 407807018 /nfs/dbraw/zinc/80/70/18/407807018.db2.gz VBXJUXPRQVJLQI-CYBMUJFWSA-N -1 0 309.410 1.833 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)NC[C@H](C)C(=O)[O-])C2=O)cc1C ZINC000237603398 407830496 /nfs/dbraw/zinc/83/04/96/407830496.db2.gz MWKZKMZSGXOQCG-GXTWGEPZSA-N -1 0 318.373 1.493 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000237950456 407854926 /nfs/dbraw/zinc/85/49/26/407854926.db2.gz UMMRMQPDFXTXNP-SSDOTTSWSA-N -1 0 318.192 1.986 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000238044109 407874910 /nfs/dbraw/zinc/87/49/10/407874910.db2.gz QTADMOBLENUJQE-UHFFFAOYSA-N -1 0 313.357 1.868 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1nncn1-c1ccccc1 ZINC000238064207 407882374 /nfs/dbraw/zinc/88/23/74/407882374.db2.gz LSQHJHMKHTWEAB-ZDUSSCGKSA-N -1 0 314.345 1.276 50 0 DDAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CCCO1 ZINC000238148626 407896736 /nfs/dbraw/zinc/89/67/36/407896736.db2.gz ADCZNXKJJPQBDL-GFCCVEGCSA-N -1 0 313.300 1.947 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CCO1 ZINC000238195851 407899118 /nfs/dbraw/zinc/89/91/18/407899118.db2.gz BZDYBNKOVHVZKZ-GFCCVEGCSA-N -1 0 320.320 1.552 50 0 DDAARM Cc1cc(-n2cccn2)ccc1CN1CCOC[C@@H]1C(=O)[O-] ZINC000240971734 407910383 /nfs/dbraw/zinc/91/03/83/407910383.db2.gz UBYULJVYCCIZFK-OAHLLOKOSA-N -1 0 301.346 1.466 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000262926357 407972648 /nfs/dbraw/zinc/97/26/48/407972648.db2.gz WMEITWDSOGOVCR-JTQLQIEISA-N -1 0 305.334 1.151 50 0 DDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC000262990915 407996808 /nfs/dbraw/zinc/99/68/08/407996808.db2.gz KCVMTBKFLVVTSU-QWHCGFSZSA-N -1 0 323.393 1.552 50 0 DDAARM Cc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)nn1C ZINC000263235588 408071248 /nfs/dbraw/zinc/07/12/48/408071248.db2.gz BOBGBRZXXNFYTP-INIZCTEOSA-N -1 0 301.346 1.501 50 0 DDAARM Cc1cccc(CCNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)n1 ZINC000263352985 408117542 /nfs/dbraw/zinc/11/75/42/408117542.db2.gz QEXKDAIZGZPEJR-YPMHNXCESA-N -1 0 305.378 1.685 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000263431962 408137485 /nfs/dbraw/zinc/13/74/85/408137485.db2.gz KUKISBZFQFOLJB-INIZCTEOSA-N -1 0 317.345 1.296 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cc(C3CC3)no2)(C(=O)[O-])C1(C)C ZINC000263480878 408151576 /nfs/dbraw/zinc/15/15/76/408151576.db2.gz AOAPTGBXILQOSZ-WBMJQRKESA-N -1 0 322.361 1.940 50 0 DDAARM Cc1nc([C@@H](NC(=O)[C@H](C)C(=O)[O-])c2ccc(Cl)cc2)no1 ZINC000263560812 408175160 /nfs/dbraw/zinc/17/51/60/408175160.db2.gz RIEZCHHYDYIDAY-CPCISQLKSA-N -1 0 323.736 1.958 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)cn1 ZINC000263571204 408178122 /nfs/dbraw/zinc/17/81/22/408178122.db2.gz JCAWLYWKZRMPTI-CQSZACIVSA-N -1 0 304.346 1.811 50 0 DDAARM COC(=O)c1ccc(CS(=O)(=O)Nc2ncccc2F)cc1 ZINC000194683609 408790987 /nfs/dbraw/zinc/79/09/87/408790987.db2.gz PGKJEBZQDCIQHG-UHFFFAOYSA-N -1 0 324.333 1.949 50 0 DDAARM CCC[C@H](NC(=O)Cc1cc(F)c(F)cc1F)c1nnn[n-]1 ZINC000164427938 408796969 /nfs/dbraw/zinc/79/69/69/408796969.db2.gz NDCGETXQJXZKNY-NSHDSACASA-N -1 0 313.283 1.817 50 0 DDAARM C[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000178279904 408799456 /nfs/dbraw/zinc/79/94/56/408799456.db2.gz GDCSFAPZADZJCN-HTQZYQBOSA-N -1 0 303.767 1.817 50 0 DDAARM C[C@H](c1cccnc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000169676173 408820016 /nfs/dbraw/zinc/82/00/16/408820016.db2.gz YJVLFNZBZUJYKU-WNWFFLTNSA-N -1 0 300.314 1.009 50 0 DDAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cccc(-n2ccnn2)c1 ZINC000263398683 163961918 /nfs/dbraw/zinc/96/19/18/163961918.db2.gz ZSRQYFCMENKRBW-BXUZGUMPSA-N -1 0 314.345 1.593 50 0 DDAARM Cc1nc(CC(C)C)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)s1 ZINC000178280515 221860734 /nfs/dbraw/zinc/86/07/34/221860734.db2.gz RYFOKXVYODGKTP-LLVKDONJSA-N -1 0 312.391 1.576 50 0 DDAARM CSCC[C@@H](NC(=O)Cc1ccc(O)c(Cl)c1)C(=O)[O-] ZINC000426423123 419468577 /nfs/dbraw/zinc/46/85/77/419468577.db2.gz UOJCZSQGNONUDS-SNVBAGLBSA-N -1 0 317.794 1.911 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cncn3)cc2)C1 ZINC000299744337 229384479 /nfs/dbraw/zinc/38/44/79/229384479.db2.gz OGJSQIUBHOTWNY-HNNXBMFYSA-N -1 0 300.318 1.204 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000492178469 421210137 /nfs/dbraw/zinc/21/01/37/421210137.db2.gz DMSXUEAODVMMOI-CTEOGUNLSA-N -1 0 316.357 1.383 50 0 DDAARM CN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(Cl)cc3)NN2)C1=O ZINC000017028754 277016120 /nfs/dbraw/zinc/01/61/20/277016120.db2.gz AKLBMHMKNFJCDL-BLUPIXKYSA-N -1 0 320.736 1.682 50 0 DDAARM CC(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000000281811 278198726 /nfs/dbraw/zinc/19/87/26/278198726.db2.gz GGJWOMGTWDNWAC-UHFFFAOYSA-N -1 0 305.071 1.948 50 0 DDAARM CC(=O)Nc1ccc2c(c1)NC(=O)C[C@H]2c1c[nH]nc1C(=O)[O-] ZINC000067965233 278205011 /nfs/dbraw/zinc/20/50/11/278205011.db2.gz HHJCYBKAVVEOCJ-SNVBAGLBSA-N -1 0 314.301 1.540 50 0 DDAARM COc1cc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000492183537 294912110 /nfs/dbraw/zinc/91/21/10/294912110.db2.gz QYNHVGUJNMPZSB-VQTKUKTRSA-N -1 0 321.329 1.029 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cccc3)c(F)c2)CCO1 ZINC000362572509 300099752 /nfs/dbraw/zinc/09/97/52/300099752.db2.gz JDQCHVOOJPVBPQ-AWEZNQCLSA-N -1 0 318.304 1.542 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCO3)n1 ZINC000020614546 302910016 /nfs/dbraw/zinc/91/00/16/302910016.db2.gz LRRZVWSAUAFRIV-UHFFFAOYSA-N -1 0 303.274 1.142 50 0 DDAARM NC(=O)c1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000237752508 303346214 /nfs/dbraw/zinc/34/62/14/303346214.db2.gz QVFXCVJXDYHJME-SWHYSGLUSA-N -1 0 316.357 1.643 50 0 DDAARM O=c1c2cc3c(cc2[n-]c(=S)n1C[C@@H]1CCCO1)OCO3 ZINC000040478801 304815943 /nfs/dbraw/zinc/81/59/43/304815943.db2.gz TUUPLJQGWZTQIX-QMMMGPOBSA-N -1 0 306.343 1.967 50 0 DDAARM CCc1cccnc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000095435874 484017171 /nfs/dbraw/zinc/01/71/71/484017171.db2.gz WPLBXHCMLGIDCD-UHFFFAOYSA-N -1 0 304.331 1.981 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCS(=O)(=O)C1CCCC1 ZINC000299747879 534518228 /nfs/dbraw/zinc/51/82/28/534518228.db2.gz FMGDQBYYFOHZQQ-LBPRGKRZSA-N -1 0 317.407 1.200 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000299749024 534538658 /nfs/dbraw/zinc/53/86/58/534538658.db2.gz IXOZNIGPVOBVKD-ZIAGYGMSSA-N -1 0 305.330 1.003 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000299753618 534539487 /nfs/dbraw/zinc/53/94/87/534539487.db2.gz YUTWMRULZBOKTQ-LLVKDONJSA-N -1 0 317.700 1.170 50 0 DDAARM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000157004237 524214188 /nfs/dbraw/zinc/21/41/88/524214188.db2.gz QPWHYIYYNFDDCK-MCMMXHMISA-N -1 0 322.430 1.135 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492120438 527898566 /nfs/dbraw/zinc/89/85/66/527898566.db2.gz UBPROBSZRKGOEK-XQRVVYSFSA-N -1 0 305.330 1.794 50 0 DDAARM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299745960 529156058 /nfs/dbraw/zinc/15/60/58/529156058.db2.gz UHRUNYVQOILMFH-YIYPIFLZSA-N -1 0 313.394 1.672 50 0 DDAARM CCn1c2ccccc2nc(N2CCC[C@H](C(=O)[O-])C2)c1=O ZINC000045795932 536006473 /nfs/dbraw/zinc/00/64/73/536006473.db2.gz VTBNFEIVLIJQMA-NSHDSACASA-N -1 0 301.346 1.717 50 0 DDAARM CCn1cnnc1CN(C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000215705865 563706856 /nfs/dbraw/zinc/70/68/56/563706856.db2.gz WXDUIFLVUBMLHG-LBPRGKRZSA-N -1 0 318.377 1.782 50 0 DDAARM CCn1ccnc1CN1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067742432 696364165 /nfs/dbraw/zinc/36/41/65/696364165.db2.gz GYFYKPFUUHLVMH-LBPRGKRZSA-N -1 0 318.381 1.105 50 0 DDAARM O=C(c1n[n-]c2ccccc2c1=O)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000111582766 696644387 /nfs/dbraw/zinc/64/43/87/696644387.db2.gz PVASCJHMAQVYRB-LLVKDONJSA-N -1 0 323.356 1.666 50 0 DDAARM CN(CC(=O)[O-])C(=O)/C=C\c1ccc(N2CCCC2=O)cc1 ZINC000606441280 699217566 /nfs/dbraw/zinc/21/75/66/699217566.db2.gz DSVYCBKTOHCOQY-TWGQIWQCSA-N -1 0 302.330 1.370 50 0 DDAARM CC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000857560650 704604381 /nfs/dbraw/zinc/60/43/81/704604381.db2.gz GHFMTEQQMMDAFS-RNFRBKRXSA-N -1 0 306.206 1.607 50 0 DDAARM O=c1[n-]c(CNCc2cnc(NCc3ccccc3)nc2)n[nH]1 ZINC000952991239 721533628 /nfs/dbraw/zinc/53/36/28/721533628.db2.gz VHSVSCIFTJWANT-UHFFFAOYSA-N -1 0 311.349 1.202 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2cnn(C3CCCCC3)c2)CC1 ZINC000095970756 539177904 /nfs/dbraw/zinc/17/79/04/539177904.db2.gz KPKODZAQLRAZDU-UHFFFAOYSA-N -1 0 321.377 1.440 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCOc1ccccc1Cl ZINC000088374353 185247540 /nfs/dbraw/zinc/24/75/40/185247540.db2.gz DAOYQNCCSFYPEI-NSHDSACASA-N -1 0 313.737 1.421 50 0 DDAARM CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000095399172 185353647 /nfs/dbraw/zinc/35/36/47/185353647.db2.gz VCDVZIIRTTUPME-AWEZNQCLSA-N -1 0 314.341 1.906 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)[C@H](C)OCc1cccc(OC)c1 ZINC000095424621 185361347 /nfs/dbraw/zinc/36/13/47/185361347.db2.gz KDVJMRFZRDNIFQ-LBPRGKRZSA-N -1 0 309.362 1.924 50 0 DDAARM CCCN(CCC)C(=O)CCCC(=O)NC[C@@H](C)C(=O)[O-] ZINC000095425323 185361705 /nfs/dbraw/zinc/36/17/05/185361705.db2.gz MXGPNAFWJWOCOX-GFCCVEGCSA-N -1 0 300.399 1.642 50 0 DDAARM Cn1nnc(-c2cccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071285826 190953510 /nfs/dbraw/zinc/95/35/10/190953510.db2.gz DXYAPFKQMVPLBE-GHMZBOCLSA-N -1 0 315.333 1.172 50 0 DDAARM COc1cccc(CNC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1OC ZINC000071280059 190952065 /nfs/dbraw/zinc/95/20/65/190952065.db2.gz CWNZWRKGAGVUNU-NEPJUHHUSA-N -1 0 307.346 1.677 50 0 DDAARM O=S(=O)([O-])CCCCOC[C@@H]1COc2cscc2O1 ZINC000072266074 191089958 /nfs/dbraw/zinc/08/99/58/191089958.db2.gz OIRKLPHRLOQDLU-SECBINFHSA-N -1 0 308.377 1.573 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237454713 186291829 /nfs/dbraw/zinc/29/18/29/186291829.db2.gz VRZFMCSMZPIEIP-MNOVXSKESA-N -1 0 321.421 1.927 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)c2cccs2)CC1 ZINC000072407046 191153116 /nfs/dbraw/zinc/15/31/16/191153116.db2.gz KCSDKLGCEXSNPJ-UHFFFAOYSA-N -1 0 305.359 1.661 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Cl)c2nonc21 ZINC000072400833 191150724 /nfs/dbraw/zinc/15/07/24/191150724.db2.gz VEFKDAHDIWSKPS-UHFFFAOYSA-N -1 0 319.664 1.617 50 0 DDAARM COc1ccc(C)cc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004173893 181081598 /nfs/dbraw/zinc/08/15/98/181081598.db2.gz FQOJPAYLDFVNPE-RFGFWPKPSA-N -1 0 303.314 1.596 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1csc(C2CC2)n1 ZINC000157961657 354227660 /nfs/dbraw/zinc/22/76/60/354227660.db2.gz OQARNKBMFJISAS-QMMMGPOBSA-N -1 0 316.404 1.117 50 0 DDAARM COC(=O)C[C@H](NC(=O)CCC(=O)[O-])c1cccc(C)c1C ZINC000004576198 181126239 /nfs/dbraw/zinc/12/62/39/181126239.db2.gz UCKCIUYMKDDAOX-ZDUSSCGKSA-N -1 0 307.346 1.889 50 0 DDAARM O=C(c1ccc(Cl)cc1F)N1CCOC[C@@H]1c1nnn[n-]1 ZINC000585134174 354811147 /nfs/dbraw/zinc/81/11/47/354811147.db2.gz GPHCNZXVOWZPMB-SNVBAGLBSA-N -1 0 311.704 1.206 50 0 DDAARM CCCc1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000236933148 202078452 /nfs/dbraw/zinc/07/84/52/202078452.db2.gz JWFXLNFGAGYGMO-JTQLQIEISA-N -1 0 312.391 1.720 50 0 DDAARM CC[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000237015183 202122072 /nfs/dbraw/zinc/12/20/72/202122072.db2.gz JBAUJSZAHGBFAS-ZDUSSCGKSA-N -1 0 304.346 1.335 50 0 DDAARM O=C([O-])CSC(=S)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000001157202 304071765 /nfs/dbraw/zinc/07/17/65/304071765.db2.gz DFHGBKJKGOWVKZ-ZJUUUORDSA-N -1 0 324.427 1.370 50 0 DDAARM Cc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000237760953 202349502 /nfs/dbraw/zinc/34/95/02/202349502.db2.gz JHQZOQAPJPMELO-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM Cc1cn(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c2ccccc12 ZINC000237784561 202354671 /nfs/dbraw/zinc/35/46/71/202354671.db2.gz FBSUSBTUZTUKEK-ZDUSSCGKSA-N -1 0 316.357 1.652 50 0 DDAARM O=C([O-])CCN(C(=O)Cc1cccc(F)c1)C1CCOCC1 ZINC000238065844 202432978 /nfs/dbraw/zinc/43/29/78/202432978.db2.gz DKZVDTPEFQZVKY-UHFFFAOYSA-N -1 0 309.337 1.851 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2cc3ccccc3c(=O)[nH]2)CCSC1 ZINC000271885906 209296725 /nfs/dbraw/zinc/29/67/25/209296725.db2.gz DINZGFIFQMDUNR-HNNXBMFYSA-N -1 0 318.354 1.631 50 0 DDAARM Cc1cccc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1F ZINC000194316795 201202066 /nfs/dbraw/zinc/20/20/66/201202066.db2.gz KELDVNFXKCPKPG-UHFFFAOYSA-N -1 0 313.292 1.655 50 0 DDAARM O=C([O-])[C@H]1COCCN1Cc1cnn(-c2ccccc2Cl)c1 ZINC000244884133 202507152 /nfs/dbraw/zinc/50/71/52/202507152.db2.gz YGALFLVYAXKOCN-CQSZACIVSA-N -1 0 321.764 1.811 50 0 DDAARM O=C([O-])c1ccc(-c2nccc(N3CCC[C@@H](O)C3)n2)s1 ZINC000215721023 201469595 /nfs/dbraw/zinc/46/95/95/201469595.db2.gz AJKGFXHTRKDPOK-SECBINFHSA-N -1 0 305.359 1.864 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000268992558 304135480 /nfs/dbraw/zinc/13/54/80/304135480.db2.gz UBDWFNIHIGIPBU-NHCYSSNCSA-N -1 0 311.284 1.380 50 0 DDAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262097743 203198807 /nfs/dbraw/zinc/19/88/07/203198807.db2.gz IOAZFZSUBLBGQH-GWCFXTLKSA-N -1 0 311.309 1.295 50 0 DDAARM CCCc1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])n(C)n1 ZINC000095368969 193434375 /nfs/dbraw/zinc/43/43/75/193434375.db2.gz IXZNHNUFXFOLCE-ZDUSSCGKSA-N -1 0 316.361 1.193 50 0 DDAARM C[C@@H](CCC(=O)[O-])NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000095991890 193482479 /nfs/dbraw/zinc/48/24/79/193482479.db2.gz MJIQNKCCMTYNTL-LBPRGKRZSA-N -1 0 301.346 1.915 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)CN1C(=O)CCc2ccccc21 ZINC000136524177 304176975 /nfs/dbraw/zinc/17/69/75/304176975.db2.gz BXNCUIPUWRSPEV-CQSZACIVSA-N -1 0 316.357 1.432 50 0 DDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)n[nH]1 ZINC000021096279 182265499 /nfs/dbraw/zinc/26/54/99/182265499.db2.gz HIOCNXXLKJERCU-UHFFFAOYSA-N -1 0 309.347 1.696 50 0 DDAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C1 ZINC000262864849 304213497 /nfs/dbraw/zinc/21/34/97/304213497.db2.gz WZPSHUMJMPSHOA-INIZCTEOSA-N -1 0 322.336 1.695 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000236826575 284861778 /nfs/dbraw/zinc/86/17/78/284861778.db2.gz AXHDWAUHYFONMI-UHFFFAOYSA-N -1 0 322.336 1.889 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(Br)c(F)c1 ZINC000268933925 207098804 /nfs/dbraw/zinc/09/88/04/207098804.db2.gz ZPGANOZWYWYSGQ-YUMQZZPRSA-N -1 0 316.126 1.925 50 0 DDAARM C[C@H](CCOc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269034169 207180921 /nfs/dbraw/zinc/18/09/21/207180921.db2.gz NQUDULHFNPCAQX-UKRRQHHQSA-N -1 0 321.373 1.794 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)CCO1 ZINC000269048497 207198389 /nfs/dbraw/zinc/19/83/89/207198389.db2.gz UMGUEVPHYYGRTJ-KMOQFTEPSA-N -1 0 319.313 1.131 50 0 DDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000269095200 207236522 /nfs/dbraw/zinc/23/65/22/207236522.db2.gz ZYRCDRRBEGARBU-AWEZNQCLSA-N -1 0 308.353 1.723 50 0 DDAARM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000065554816 184365893 /nfs/dbraw/zinc/36/58/93/184365893.db2.gz RAAAZMSVMFKLNA-UHFFFAOYSA-N -1 0 318.401 1.347 50 0 DDAARM C[C@@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)[C@@H]1C(=O)[O-] ZINC000263011741 296382127 /nfs/dbraw/zinc/38/21/27/296382127.db2.gz BYEBVHQBBMWJRW-SKDRFNHKSA-N -1 0 305.334 1.503 50 0 DDAARM CC(C)(C)OC(=O)NCCOCCOCCOCCC(=O)[O-] ZINC000096307093 257272181 /nfs/dbraw/zinc/27/21/81/257272181.db2.gz PFAQEUVPPBOTTA-UHFFFAOYSA-N -1 0 321.370 1.036 50 0 in-vitro DDAARM COc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000069702559 184838856 /nfs/dbraw/zinc/83/88/56/184838856.db2.gz YJVHDHXKDLTLOA-CYBMUJFWSA-N -1 0 313.375 1.324 50 0 DDAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OC(C)=O ZINC000002772618 406699174 /nfs/dbraw/zinc/69/91/74/406699174.db2.gz ROBPNHSYANFFEK-YHYXMXQVSA-N -1 0 324.720 1.844 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCc1nc(-c2ccccc2)no1 ZINC000071283550 406835928 /nfs/dbraw/zinc/83/59/28/406835928.db2.gz VIHIPJVDHQSAHX-RYUDHWBXSA-N -1 0 315.329 1.710 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)NCCc2cccs2)cc1 ZINC000012997573 406856711 /nfs/dbraw/zinc/85/67/11/406856711.db2.gz YAGWDFOAVUUGTC-UHFFFAOYSA-N -1 0 311.384 1.967 50 0 DDAARM CC1=C(C)C[C@@H](C(=O)NCCCN2CCCC2=O)[C@H](C(=O)[O-])C1 ZINC000013323605 406861187 /nfs/dbraw/zinc/86/11/87/406861187.db2.gz ZJFQCMFHBHCZNR-ZIAGYGMSSA-N -1 0 322.405 1.562 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2cccnc2)C[C@@H]1C(=O)[O-] ZINC000072343576 406882130 /nfs/dbraw/zinc/88/21/30/406882130.db2.gz FLFIIHVTTWZCIV-GFCCVEGCSA-N -1 0 307.350 1.592 50 0 DDAARM C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000035252763 406971055 /nfs/dbraw/zinc/97/10/55/406971055.db2.gz POGSEJALRIZFNH-JTQLQIEISA-N -1 0 309.343 1.887 50 0 DDAARM COc1ccc(C2=NO[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000035327008 406972178 /nfs/dbraw/zinc/97/21/78/406972178.db2.gz YNHIQJASTAQUFX-SNVBAGLBSA-N -1 0 302.252 1.867 50 0 DDAARM Cc1nc(NC(=O)c2ccc(=O)n(CC(=O)[O-])c2)sc1C ZINC000035605702 406972883 /nfs/dbraw/zinc/97/28/83/406972883.db2.gz ADYRBDDTEOSLKU-UHFFFAOYSA-N -1 0 307.331 1.259 50 0 DDAARM O=C([O-])c1ccc(NC(=O)Cn2cc(Cl)ccc2=O)cc1 ZINC000033509310 406961888 /nfs/dbraw/zinc/96/18/88/406961888.db2.gz PCZJRJNXRBDIFF-UHFFFAOYSA-N -1 0 306.705 1.839 50 0 DDAARM CCN(CC)S(=O)(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037862721 406995354 /nfs/dbraw/zinc/99/53/54/406995354.db2.gz PKRCOKIBBVPBDX-UHFFFAOYSA-N -1 0 300.380 1.403 50 0 DDAARM CC(=O)NCCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095380958 407211798 /nfs/dbraw/zinc/21/17/98/407211798.db2.gz SITOSVKPRHPQAQ-OAHLLOKOSA-N -1 0 318.373 1.617 50 0 DDAARM O=C([O-])c1ccccc1-n1nc(-c2ccncc2)nc1CCO ZINC000096163174 407242693 /nfs/dbraw/zinc/24/26/93/407242693.db2.gz BMPNWQQMFHPVHZ-UHFFFAOYSA-N -1 0 310.313 1.562 50 0 DDAARM COc1cc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)ccc1C ZINC000067654487 407278758 /nfs/dbraw/zinc/27/87/58/407278758.db2.gz HNURRRDZBHRNFR-CQSZACIVSA-N -1 0 317.345 1.899 50 0 DDAARM CCc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)nc(C)n1 ZINC000097137630 407281980 /nfs/dbraw/zinc/28/19/80/407281980.db2.gz OZFFVECPSLRLLW-UHFFFAOYSA-N -1 0 309.395 1.926 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)NCCC2=CCCCC2)c1 ZINC000098063841 407305188 /nfs/dbraw/zinc/30/51/88/407305188.db2.gz CIAGNBNEMVANDF-UHFFFAOYSA-N -1 0 304.346 1.553 50 0 DDAARM O=C(NCc1ccco1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621255 407308140 /nfs/dbraw/zinc/30/81/40/407308140.db2.gz VFVOXUUTAYZVJU-UHFFFAOYSA-N -1 0 310.309 1.786 50 0 DDAARM CCOC(=O)C(=C(C)[O-])C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000101361232 407309064 /nfs/dbraw/zinc/30/90/64/407309064.db2.gz XMDHUXBICPXDJY-CYBMUJFWSA-N -1 0 324.329 1.663 50 0 DDAARM COc1cccc(/C=C/C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000122782930 407310712 /nfs/dbraw/zinc/31/07/12/407310712.db2.gz LFKZKAMEAUPGMK-AATRIKPKSA-N -1 0 301.302 1.628 50 0 DDAARM C[C@@H](CN(C)C(=O)c1cc(C2CCCCC2)n[nH]1)c1nnn[n-]1 ZINC000124711503 407367499 /nfs/dbraw/zinc/36/74/99/407367499.db2.gz KOQLSQRVRFYWQK-JTQLQIEISA-N -1 0 317.397 1.846 50 0 DDAARM COc1ccc(C(C)=NNc2nnc(C)c(=O)[n-]2)cc1OC ZINC000254713621 407467711 /nfs/dbraw/zinc/46/77/11/407467711.db2.gz GAHIQQVKENJMHN-UHFFFAOYSA-N -1 0 303.322 1.739 50 0 DDAARM O=C([N-]S(=O)(=O)c1ccc2n[nH]nc2c1)c1ccc(F)cc1 ZINC000253426090 407444171 /nfs/dbraw/zinc/44/41/71/407444171.db2.gz XWGVWKAZFWBMOO-UHFFFAOYSA-N -1 0 320.305 1.216 50 0 DDAARM COCCS(=O)(=O)[N-]C(=O)c1ccc(-c2cnco2)cc1 ZINC000170625441 407457611 /nfs/dbraw/zinc/45/76/11/407457611.db2.gz YJOJMCOUDCKSJD-UHFFFAOYSA-N -1 0 310.331 1.048 50 0 DDAARM O=C(CCc1cc(=O)[n-]o1)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000219615735 407531547 /nfs/dbraw/zinc/53/15/47/407531547.db2.gz KUKORQJIYPHOBH-MMPTUQATSA-N -1 0 317.345 1.336 50 0 DDAARM O=C(NCc1cc(C2CC2)on1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000219848795 407535490 /nfs/dbraw/zinc/53/54/90/407535490.db2.gz LWJIBMHMCJGWLY-UHFFFAOYSA-N -1 0 324.340 1.961 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)o1 ZINC000238119038 407892259 /nfs/dbraw/zinc/89/22/59/407892259.db2.gz IAPVWLFRLIQFSB-JTQLQIEISA-N -1 0 320.345 1.385 50 0 DDAARM CC(C)Oc1cccnc1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262761602 407918906 /nfs/dbraw/zinc/91/89/06/407918906.db2.gz KUEDAUYYKVJYRB-UHFFFAOYSA-N -1 0 321.358 1.954 50 0 DDAARM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2nn(C)cc2Cl)C1 ZINC000263147880 408038226 /nfs/dbraw/zinc/03/82/26/408038226.db2.gz FDIJPMMBSNZYNR-DTWKUNHWSA-N -1 0 314.773 1.326 50 0 DDAARM CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262994728 407996264 /nfs/dbraw/zinc/99/62/64/407996264.db2.gz QPHBREAHLIXGCO-RYUDHWBXSA-N -1 0 311.382 1.035 50 0 DDAARM COCc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])s1 ZINC000263036984 408009239 /nfs/dbraw/zinc/00/92/39/408009239.db2.gz RFPONUHSCDEVDS-HOSYDEDBSA-N -1 0 324.402 1.923 50 0 DDAARM C[C@]1(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CC1(F)F ZINC000263222812 408065947 /nfs/dbraw/zinc/06/59/47/408065947.db2.gz PLNFDHUDODVMHJ-CYBMUJFWSA-N -1 0 322.271 1.949 50 0 DDAARM COc1c(C)cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1C ZINC000263259124 408078310 /nfs/dbraw/zinc/07/83/10/408078310.db2.gz JFYQGSFPMJNAFU-OCCSQVGLSA-N -1 0 321.373 1.922 50 0 DDAARM COc1c(C)cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1C ZINC000263259123 408078386 /nfs/dbraw/zinc/07/83/86/408078386.db2.gz JFYQGSFPMJNAFU-JSGCOSHPSA-N -1 0 321.373 1.922 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CCOC[C@H]3CC(=O)[O-])cc2c1 ZINC000263519892 408160907 /nfs/dbraw/zinc/16/09/07/408160907.db2.gz GRADAGXOPZXHAZ-LLVKDONJSA-N -1 0 318.329 1.492 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2coc(-c3ccccc3)n2)CCO1 ZINC000178232395 408790475 /nfs/dbraw/zinc/79/04/75/408790475.db2.gz RKJQCPRSYMCQRK-LBPRGKRZSA-N -1 0 302.286 1.267 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCO1 ZINC000178246959 408793903 /nfs/dbraw/zinc/79/39/03/408793903.db2.gz PPOOWMONHQVBAF-CYBMUJFWSA-N -1 0 314.341 1.997 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-n3cccc3)c(F)c2)CCO1 ZINC000238130139 163398216 /nfs/dbraw/zinc/39/82/16/163398216.db2.gz JDQCHVOOJPVBPQ-CQSZACIVSA-N -1 0 318.304 1.542 50 0 DDAARM O=C([O-])c1cnc(N2CCO[C@H](c3cccc(O)c3)C2)cn1 ZINC000263381152 163959590 /nfs/dbraw/zinc/95/95/90/163959590.db2.gz CMMHRYBMEMGNNM-ZDUSSCGKSA-N -1 0 301.302 1.458 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2ccc3c(c2)CCC=C3)CC1 ZINC000263508458 163977501 /nfs/dbraw/zinc/97/75/01/163977501.db2.gz BTCTYTYQGLSPTR-UHFFFAOYSA-N -1 0 301.342 1.698 50 0 DDAARM CCn1nc(C)c([C@H](C)NC(=O)c2[nH]cnc2C(=O)[O-])c1C ZINC000299796427 410635133 /nfs/dbraw/zinc/63/51/33/410635133.db2.gz NEZKXKJIRKHZON-ZETCQYMHSA-N -1 0 305.338 1.432 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000647780917 423045141 /nfs/dbraw/zinc/04/51/41/423045141.db2.gz SXUVBWNGDULMRT-IUCAKERBSA-N -1 0 322.271 1.383 50 0 DDAARM O=C(NCc1ccncc1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047055236 418452370 /nfs/dbraw/zinc/45/23/70/418452370.db2.gz CNLLTKAMJHFREC-UHFFFAOYSA-N -1 0 312.354 1.537 50 0 DDAARM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000069674851 418488182 /nfs/dbraw/zinc/48/81/82/418488182.db2.gz VRUXOWHDYZCURW-UHFFFAOYSA-N -1 0 324.333 2.117 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000299741416 229376650 /nfs/dbraw/zinc/37/66/50/229376650.db2.gz FSJJNRFZTHYXPV-SKDRFNHKSA-N -1 0 320.370 1.423 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000299746336 229388171 /nfs/dbraw/zinc/38/81/71/229388171.db2.gz WSDMYPQTUOAJBT-ZDUSSCGKSA-N -1 0 303.293 1.701 50 0 DDAARM COc1cc(/C=C/C(=O)N(C)[C@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000492214479 421214562 /nfs/dbraw/zinc/21/45/62/421214562.db2.gz OFWICGVKALEMDY-ORAHPGNNSA-N -1 0 321.329 1.411 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000521364103 421784115 /nfs/dbraw/zinc/78/41/15/421784115.db2.gz CLXYMJSBBYBIFT-GFCCVEGCSA-N -1 0 323.345 1.085 50 0 DDAARM Cn1cnc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c1 ZINC000630159824 421928877 /nfs/dbraw/zinc/92/88/77/421928877.db2.gz OXJOAVQTLMNDHW-UHFFFAOYSA-N -1 0 301.346 1.927 50 0 DDAARM C[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])n1ccc(C(F)(F)F)n1 ZINC000630175218 421939213 /nfs/dbraw/zinc/93/92/13/421939213.db2.gz QFEBPWBKRGPATH-YUMQZZPRSA-N -1 0 305.256 1.539 50 0 DDAARM CCOc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC000583650650 422209701 /nfs/dbraw/zinc/20/97/01/422209701.db2.gz YUTYVDGMCOFTLT-UHFFFAOYSA-N -1 0 308.334 1.186 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000008030046 297061916 /nfs/dbraw/zinc/06/19/16/297061916.db2.gz WVOJRRGMQWUFRK-DTORHVGOSA-N -1 0 317.338 1.322 50 0 DDAARM Cc1cccc(N2C[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])CC2=O)c1C ZINC000095970391 301999322 /nfs/dbraw/zinc/99/93/22/301999322.db2.gz BJLOAAABTKRGNR-AAEUAGOBSA-N -1 0 318.373 1.636 50 0 DDAARM Cc1ccc(C(C)C)cc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000532002204 303269196 /nfs/dbraw/zinc/26/91/96/303269196.db2.gz IVKVXWANNRGLBH-OAHLLOKOSA-N -1 0 321.373 1.809 50 0 DDAARM CO[C@](C)(C(=O)[O-])C(=O)Nc1cc(Br)ccc1O ZINC000663114829 484679792 /nfs/dbraw/zinc/67/97/92/484679792.db2.gz IXFQOUWRAFZJPU-NSHDSACASA-N -1 0 318.123 1.583 50 0 DDAARM C[C@H](CN(C)C(=O)/C=C/c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000328594959 534007297 /nfs/dbraw/zinc/00/72/97/534007297.db2.gz GUBXSEPKBJGIMK-DUMNWFOQSA-N -1 0 305.330 1.650 50 0 DDAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000299753024 534222330 /nfs/dbraw/zinc/22/23/30/534222330.db2.gz WNVHAWWBCDRFLH-IJLUTSLNSA-N -1 0 309.387 1.862 50 0 DDAARM Cc1nn(C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000262954377 518193792 /nfs/dbraw/zinc/19/37/92/518193792.db2.gz HNMUVPMFRFXBCZ-CQSZACIVSA-N -1 0 315.329 1.219 50 0 DDAARM Cc1cccc([C@@H](CC(=O)N2CCC[C@@H]2C(=O)[O-])NC(N)=O)c1 ZINC000299749283 534758270 /nfs/dbraw/zinc/75/82/70/534758270.db2.gz JURXXTOYAIKVAU-CHWSQXEVSA-N -1 0 319.361 1.170 50 0 DDAARM CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cs1 ZINC000299752508 528008839 /nfs/dbraw/zinc/00/88/39/528008839.db2.gz UIVYOVSEDUYAGD-IEBDPFPHSA-N -1 0 312.391 1.920 50 0 DDAARM CC(C)Oc1ccccc1CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299751803 528247353 /nfs/dbraw/zinc/24/73/53/528247353.db2.gz RWCQGEXPNPWNJX-CQSZACIVSA-N -1 0 321.373 1.718 50 0 DDAARM COc1ccc(-c2nc(N3CCOCC3)ncc2C(=O)[O-])cc1 ZINC000169751155 563897114 /nfs/dbraw/zinc/89/71/14/563897114.db2.gz JTTHQSOZHCEFBB-UHFFFAOYSA-N -1 0 315.329 1.687 50 0 DDAARM CN(C[C@@H](O)COc1cccc2ccccc21)S(=O)(=O)[O-] ZINC000022779489 696079552 /nfs/dbraw/zinc/07/95/52/696079552.db2.gz JBEMKLLRQXGZDN-GFCCVEGCSA-N -1 0 311.359 1.314 50 0 DDAARM Cc1cc(C[C@H](C)NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)[nH]n1 ZINC000263122746 698492466 /nfs/dbraw/zinc/49/24/66/698492466.db2.gz CLAQAMYESBFZFF-NHCYSSNCSA-N -1 0 308.382 1.401 50 0 DDAARM C[C@@H](NS(C)(=O)=O)c1nnc([N-]c2cccc(F)c2)o1 ZINC000863980826 706049925 /nfs/dbraw/zinc/04/99/25/706049925.db2.gz QOKQKMOHZPPRIG-SSDOTTSWSA-N -1 0 300.315 1.563 50 0 DDAARM Cc1ccn2ncnc2c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000585128389 771960369 /nfs/dbraw/zinc/96/03/69/771960369.db2.gz ABSWQQUBRKHNKX-UHFFFAOYSA-N -1 0 320.378 1.616 50 0 DDAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]c3ncnn23)cc1 ZINC000585129693 771961764 /nfs/dbraw/zinc/96/17/64/771961764.db2.gz RYNMBNKIJUDQNV-SECBINFHSA-N -1 0 320.378 1.767 50 0 DDAARM C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)C[C@H](C)O1 ZINC000585138022 771966493 /nfs/dbraw/zinc/96/64/93/771966493.db2.gz IIPIMWZAZCCREV-IUCAKERBSA-N -1 0 317.338 1.322 50 0 DDAARM CN(C)[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1ccc(F)cc1 ZINC000095530380 185378918 /nfs/dbraw/zinc/37/89/18/185378918.db2.gz FNHGFZYLUKNCLA-ZDUSSCGKSA-N -1 0 308.353 1.942 50 0 DDAARM O=C([O-])C1(c2cccc(I)c2)COC1 ZINC000095630845 185383044 /nfs/dbraw/zinc/38/30/44/185383044.db2.gz WSGNJKVAYGJCMP-UHFFFAOYSA-N -1 0 304.083 1.644 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000328593056 231233807 /nfs/dbraw/zinc/23/38/07/231233807.db2.gz MAAPIKHQDLABKP-RCFWFJCLSA-N -1 0 317.341 1.794 50 0 DDAARM CC(C)(C)[C@H]1NC(=O)C[C@@H](C(=O)[O-])N1C(=O)c1ccccc1 ZINC000101175089 539178390 /nfs/dbraw/zinc/17/83/90/539178390.db2.gz KFUQHFPYHCKQQQ-NHYWBVRUSA-N -1 0 304.346 1.474 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000262024838 539275415 /nfs/dbraw/zinc/27/54/15/539275415.db2.gz ADWSEWDCYVIVPE-UHFFFAOYSA-N -1 0 307.350 1.050 50 0 DDAARM C[C@]1(NC(=O)c2cnn3cccnc23)CCCC[C@@H]1C(=O)[O-] ZINC000262741751 539275926 /nfs/dbraw/zinc/27/59/26/539275926.db2.gz JDOZEBSTLFHQDJ-ABAIWWIYSA-N -1 0 302.334 1.493 50 0 DDAARM Cc1cccc(C[C@H](CNC(=O)[C@H](C)n2cccn2)C(=O)[O-])c1 ZINC000095425404 185361605 /nfs/dbraw/zinc/36/16/05/185361605.db2.gz VYTOADWWEHRICB-DZGCQCFKSA-N -1 0 315.373 1.812 50 0 DDAARM Cc1ccc(CN2C[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC000237446443 186290559 /nfs/dbraw/zinc/29/05/59/186290559.db2.gz JHRUAXWPPCZOPE-OCCSQVGLSA-N -1 0 318.373 1.180 50 0 DDAARM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cc(C)no1)c1ccccc1 ZINC000072301868 191115290 /nfs/dbraw/zinc/11/52/90/191115290.db2.gz CBOUIOKPQDLSGX-ZDUSSCGKSA-N -1 0 324.358 1.317 50 0 DDAARM O=C(CCNc1n[nH]c(=S)[n-]c1=O)OCc1ccccc1 ZINC000001009771 352109667 /nfs/dbraw/zinc/10/96/67/352109667.db2.gz RUQDZFFPNYCTAI-UHFFFAOYSA-N -1 0 306.347 1.785 50 0 DDAARM O=C([O-])[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)CCO1 ZINC000072440618 191167962 /nfs/dbraw/zinc/16/79/62/191167962.db2.gz HNGYAUXLHUXBIS-CQSZACIVSA-N -1 0 305.378 1.810 50 0 DDAARM CN(C)c1cccc2c1cccc2S(=O)(=O)N(C)CC(=O)[O-] ZINC000002545088 180933810 /nfs/dbraw/zinc/93/38/10/180933810.db2.gz BRLJKBOXIVONAG-UHFFFAOYSA-N -1 0 322.386 1.611 50 0 in-vitro DDAARM O=C([O-])C1(NS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000004749236 304034068 /nfs/dbraw/zinc/03/40/68/304034068.db2.gz QSOQIWPVSNVRTE-UHFFFAOYSA-N -1 0 301.339 1.892 50 0 DDAARM CCn1[n-]c(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)cc1=O ZINC000076017703 353390892 /nfs/dbraw/zinc/39/08/92/353390892.db2.gz ZHMAPBFGMDEUHK-SWLSCSKDSA-N -1 0 315.373 1.583 50 0 DDAARM O=C([O-])[C@H](O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000098198366 353921474 /nfs/dbraw/zinc/92/14/74/353921474.db2.gz SRSIWDVGZPFBQS-HNNXBMFYSA-N -1 0 313.309 1.928 50 0 DDAARM O=C([O-])C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000003623428 181042242 /nfs/dbraw/zinc/04/22/42/181042242.db2.gz VKPNJGFKWYNJJG-UHFFFAOYSA-N -1 0 306.299 1.604 50 0 in-man DDAARM CC(=O)c1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000004292244 181093829 /nfs/dbraw/zinc/09/38/29/181093829.db2.gz CQMKYHONNUHDFX-UHFFFAOYSA-N -1 0 304.331 1.098 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC000004555490 181123966 /nfs/dbraw/zinc/12/39/66/181123966.db2.gz URPPIUACTSHDKN-LURJTMIESA-N -1 0 317.128 1.571 50 0 DDAARM C[C@H](O)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005426492 181242310 /nfs/dbraw/zinc/24/23/10/181242310.db2.gz LMFZAWXLAJFKLM-BONVTDFDSA-N -1 0 304.346 1.441 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)NCCC(=O)[O-])C2=O)cc1C ZINC000237783688 202354307 /nfs/dbraw/zinc/35/43/07/202354307.db2.gz NMMDDBPOMLVBGS-ZDUSSCGKSA-N -1 0 304.346 1.247 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2ccc3c(c2)OCCCO3)CCSC1 ZINC000271896012 209305237 /nfs/dbraw/zinc/30/52/37/209305237.db2.gz RZYBDXVHLLCTNG-HNNXBMFYSA-N -1 0 323.370 1.538 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2csnc2C)(C(=O)[O-])C1(C)C ZINC000193031081 200979819 /nfs/dbraw/zinc/97/98/19/200979819.db2.gz COTXIEJHYWYJMT-HZMBPMFUSA-N -1 0 312.391 1.840 50 0 DDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006706547 181375122 /nfs/dbraw/zinc/37/51/22/181375122.db2.gz OWYSFZPLJXHQPA-UHFFFAOYSA-N -1 0 312.297 1.865 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000006858534 181398266 /nfs/dbraw/zinc/39/82/66/181398266.db2.gz UMEPRFCJYLIVAC-UHFFFAOYSA-N -1 0 306.343 1.595 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1cccnc1 ZINC000091526898 193069317 /nfs/dbraw/zinc/06/93/17/193069317.db2.gz RSGHGTAQFDGJTJ-UONOGXRCSA-N -1 0 303.362 1.834 50 0 DDAARM O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)CCCn2cncn2)C1 ZINC000091536823 193070998 /nfs/dbraw/zinc/07/09/98/193070998.db2.gz HKIFDOGXJVFGFO-MRXNPFEDSA-N -1 0 320.393 1.552 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000091604884 193078841 /nfs/dbraw/zinc/07/88/41/193078841.db2.gz JYLAWVHCSQIIRU-MRXNPFEDSA-N -1 0 322.361 1.109 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000261914174 203151168 /nfs/dbraw/zinc/15/11/68/203151168.db2.gz YMYZCKSMVIBDPS-GFCCVEGCSA-N -1 0 300.318 1.204 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000262730694 203394923 /nfs/dbraw/zinc/39/49/23/203394923.db2.gz BWIFCOHLFXDHHH-FZMZJTMJSA-N -1 0 307.346 1.676 50 0 DDAARM COc1ccc([C@H](NC(=O)[C@@H]2CCCO2)C(=O)[O-])cc1Cl ZINC000263038252 203430945 /nfs/dbraw/zinc/43/09/45/203430945.db2.gz NEWHTOXCPHCRSA-RYUDHWBXSA-N -1 0 313.737 1.770 50 0 DDAARM O=C([O-])c1cncnc1NCCNC(=O)c1ccccc1Cl ZINC000095371262 193435415 /nfs/dbraw/zinc/43/54/15/193435415.db2.gz OSBDNSGFCQDIKW-UHFFFAOYSA-N -1 0 320.736 1.670 50 0 DDAARM CNC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000015756496 182015049 /nfs/dbraw/zinc/01/50/49/182015049.db2.gz GFWPKGPHILGSOJ-UHFFFAOYSA-N -1 0 322.390 1.197 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000262699124 304177506 /nfs/dbraw/zinc/17/75/06/304177506.db2.gz YIFAXYNGMODAEY-GHMZBOCLSA-N -1 0 322.327 1.726 50 0 DDAARM CSCC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000020000699 182176166 /nfs/dbraw/zinc/17/61/66/182176166.db2.gz CNQYLPKESHVNPV-CABZTGNLSA-N -1 0 311.359 1.149 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000159932965 197374704 /nfs/dbraw/zinc/37/47/04/197374704.db2.gz AJIMVJASXBGUHB-LBPRGKRZSA-N -1 0 316.313 1.714 50 0 DDAARM O=C([O-])/C=C\C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000028187630 182510202 /nfs/dbraw/zinc/51/02/02/182510202.db2.gz DAFSCTZJTKKQFA-FMFIFOJESA-N -1 0 318.329 1.175 50 0 DDAARM CS(=O)(=O)[N-]C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000040543895 183099256 /nfs/dbraw/zinc/09/92/56/183099256.db2.gz BVWVXZQPQCODMG-UHFFFAOYSA-N -1 0 313.766 1.274 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1cc2sccc2[nH]1 ZINC000219924588 304207589 /nfs/dbraw/zinc/20/75/89/304207589.db2.gz PVTNJYSBDDEERA-LLVKDONJSA-N -1 0 316.342 1.604 50 0 DDAARM COc1ccc(CCC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1 ZINC000043503711 183367949 /nfs/dbraw/zinc/36/79/49/183367949.db2.gz SOQOFEJADHREQF-OAHLLOKOSA-N -1 0 309.387 1.704 50 0 DDAARM C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000268943952 207107281 /nfs/dbraw/zinc/10/72/81/207107281.db2.gz UNFGGKIHZKUGML-IUODEOHRSA-N -1 0 321.373 1.927 50 0 DDAARM COCCNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000064479424 184298255 /nfs/dbraw/zinc/29/82/55/184298255.db2.gz PPDIENPVOMWMBZ-UHFFFAOYSA-N -1 0 306.771 1.088 50 0 DDAARM COCCOc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000065554864 184365914 /nfs/dbraw/zinc/36/59/14/184365914.db2.gz XHXXCZJEHYSBLH-UHFFFAOYSA-N -1 0 314.388 1.969 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC000123683740 304250215 /nfs/dbraw/zinc/25/02/15/304250215.db2.gz YCUDUDZTGWIPAL-GHMZBOCLSA-N -1 0 313.350 1.945 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)o1 ZINC000238124922 256600254 /nfs/dbraw/zinc/60/02/54/256600254.db2.gz IAPVWLFRLIQFSB-SNVBAGLBSA-N -1 0 320.345 1.385 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])cc1F ZINC000328589230 533231217 /nfs/dbraw/zinc/23/12/17/533231217.db2.gz IZIZNIFDHSHCGH-PYEVWLCESA-N -1 0 309.293 1.160 50 0 DDAARM COc1ccc2c(c1)OCC(C(=O)N1CC[C@H](C(=O)[O-])C1)=C2 ZINC000299740775 533278557 /nfs/dbraw/zinc/27/85/57/533278557.db2.gz BRYFSLYITFRSAI-NSHDSACASA-N -1 0 303.314 1.404 50 0 DDAARM CCO[N-]C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000022874480 286186254 /nfs/dbraw/zinc/18/62/54/286186254.db2.gz SMFLMYVWNWPISQ-ZDUSSCGKSA-N -1 0 312.391 1.298 50 0 DDAARM Cc1ccccc1CCC(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000222546602 407558841 /nfs/dbraw/zinc/55/88/41/407558841.db2.gz KIUDDYPCLJSLQO-HUUCEWRRSA-N -1 0 321.373 1.303 50 0 DDAARM CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000000291926 406637032 /nfs/dbraw/zinc/63/70/32/406637032.db2.gz XQYKSJQWJOZSJZ-GFCCVEGCSA-N -1 0 320.370 1.741 50 0 DDAARM COc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000000615030 406658165 /nfs/dbraw/zinc/65/81/65/406658165.db2.gz PUNONOLVCUFWTK-UHFFFAOYSA-N -1 0 313.375 1.761 50 0 DDAARM CCc1cc(=O)oc2cc(OCC(=O)NCCC(=O)[O-])ccc12 ZINC000002087529 406682103 /nfs/dbraw/zinc/68/21/03/406682103.db2.gz QGDPZKCLHUTQDR-UHFFFAOYSA-N -1 0 319.313 1.325 50 0 biogenic DDAARM CC(C)=C(NC(=O)c1ccccc1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000002299582 406682915 /nfs/dbraw/zinc/68/29/15/406682915.db2.gz UTCOQVOSDTUVTA-CQSZACIVSA-N -1 0 318.373 1.936 50 0 DDAARM CCOC(=O)COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000002488652 406687599 /nfs/dbraw/zinc/68/75/99/406687599.db2.gz MJQZSWSYPVCYIT-DGCLKSJQSA-N -1 0 311.359 1.417 50 0 DDAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1cc(Cl)ccc1O ZINC000006925751 406745099 /nfs/dbraw/zinc/74/50/99/406745099.db2.gz FKZKILQRORLFPR-MRVPVSSYSA-N -1 0 300.723 1.726 50 0 DDAARM NC(=O)c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000008746710 406795621 /nfs/dbraw/zinc/79/56/21/406795621.db2.gz NXLBCPQGZLUYLW-UHFFFAOYSA-N -1 0 312.297 1.865 50 0 DDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@H](C)C(=O)[O-] ZINC000011865408 406832686 /nfs/dbraw/zinc/83/26/86/406832686.db2.gz SQMWWMUHXZKECN-SECBINFHSA-N -1 0 319.313 1.329 50 0 DDAARM CCCCS(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000012648962 406850108 /nfs/dbraw/zinc/85/01/08/406850108.db2.gz VCKJOKXXEIQENI-LBPRGKRZSA-N -1 0 301.364 1.107 50 0 DDAARM COC(=O)CC(=Nc1ccccc1C(=O)[O-])C(=O)NC(C)C ZINC000012321164 406840996 /nfs/dbraw/zinc/84/09/96/406840996.db2.gz GOKIKEZTGJAFFU-XYOKQWHBSA-N -1 0 306.318 1.378 50 0 DDAARM O=C([O-])C1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000012390401 406843523 /nfs/dbraw/zinc/84/35/23/406843523.db2.gz IBSBOUOBTRSCLF-ZDUSSCGKSA-N -1 0 316.357 1.363 50 0 DDAARM COC(=O)c1ccccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000032091825 406945797 /nfs/dbraw/zinc/94/57/97/406945797.db2.gz QHMNMUXTNNTUBN-UHFFFAOYSA-N -1 0 301.258 1.214 50 0 DDAARM C[C@H](Oc1ccccc1Cl)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088376291 407121833 /nfs/dbraw/zinc/12/18/33/407121833.db2.gz XMHMHCHSYVZVPS-GXSJLCMTSA-N -1 0 313.737 1.419 50 0 DDAARM COc1cccc(N(Cc2n[nH]c(=O)[n-]2)C(=O)c2ccco2)c1 ZINC000079502245 407057060 /nfs/dbraw/zinc/05/70/60/407057060.db2.gz APSPQNSSZOXOBT-UHFFFAOYSA-N -1 0 314.301 1.547 50 0 DDAARM CCCCC(=O)Nc1n[nH]c([N-]S(=O)(=O)c2ccccc2)n1 ZINC000053946118 407175501 /nfs/dbraw/zinc/17/55/01/407175501.db2.gz MNTWPJTWLMQNJC-UHFFFAOYSA-N -1 0 323.378 1.734 50 0 DDAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1ccnc2ccccc21 ZINC000095354083 407208156 /nfs/dbraw/zinc/20/81/56/407208156.db2.gz AUCUMDXFNNTYNA-OAHLLOKOSA-N -1 0 322.324 1.782 50 0 DDAARM CCOC(=O)c1c([O-])c2cnc(-c3ccccc3)nc2[nH]c1=O ZINC000066323286 407248423 /nfs/dbraw/zinc/24/84/23/407248423.db2.gz JRXRYRBBSMBEAE-UHFFFAOYSA-N -1 0 311.297 1.867 50 0 DDAARM CCCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675345 407314106 /nfs/dbraw/zinc/31/41/06/407314106.db2.gz XEZJNCWVEYQQOZ-NSHDSACASA-N -1 0 301.306 1.445 50 0 DDAARM CC[C@H](C)Oc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000102171523 407320653 /nfs/dbraw/zinc/32/06/53/407320653.db2.gz FLJWLKKWDHAGSC-JOYOIKCWSA-N -1 0 315.333 1.834 50 0 DDAARM CCn1c(C)nnc1S([O-])=CC(=O)NCc1ccccc1C ZINC000096450250 407268236 /nfs/dbraw/zinc/26/82/36/407268236.db2.gz FDSIEVYAGABSIU-QFIPXVFZSA-N -1 0 320.418 1.339 50 0 DDAARM Cc1ocnc1C(=O)NC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000097036038 407276163 /nfs/dbraw/zinc/27/61/63/407276163.db2.gz ZTYLGRJGFRMNAK-ZDUSSCGKSA-N -1 0 302.330 1.965 50 0 DDAARM CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000097112457 407281221 /nfs/dbraw/zinc/28/12/21/407281221.db2.gz UMBVELNHAURSJM-VIFPVBQESA-N -1 0 318.295 1.700 50 0 DDAARM COc1cc(F)c(CN2CCOC[C@@H]2CC(=O)[O-])cc1OC ZINC000097243663 407289654 /nfs/dbraw/zinc/28/96/54/407289654.db2.gz MIEUDFUURAPUCL-NSHDSACASA-N -1 0 313.325 1.518 50 0 DDAARM CSc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)ccc1F ZINC000124714106 407367416 /nfs/dbraw/zinc/36/74/16/407367416.db2.gz VZXFCMRICUCWGJ-MRVPVSSYSA-N -1 0 309.370 1.936 50 0 DDAARM Cc1sc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000195562617 407467522 /nfs/dbraw/zinc/46/75/22/407467522.db2.gz ASQXOJMNWVQVMD-ZCFIWIBFSA-N -1 0 310.339 1.354 50 0 DDAARM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(-c2cccnc2)[nH]n1 ZINC000170625155 407456746 /nfs/dbraw/zinc/45/67/46/407456746.db2.gz HFDGYHNFVYGMRJ-UHFFFAOYSA-N -1 0 323.238 1.861 50 0 DDAARM COc1ccc(CN(CCO)Cc2nccs2)cc1C(=O)[O-] ZINC000223857868 407573921 /nfs/dbraw/zinc/57/39/21/407573921.db2.gz KZUVKTFFWVELIJ-UHFFFAOYSA-N -1 0 322.386 1.844 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000226087641 407614698 /nfs/dbraw/zinc/61/46/98/407614698.db2.gz OMRYSQKSYNCGRK-CQSZACIVSA-N -1 0 311.403 1.746 50 0 DDAARM Cc1cc(CNC(=O)C[C@H](CC(=O)[O-])c2ccccc2)n(C)n1 ZINC000226748851 407624135 /nfs/dbraw/zinc/62/41/35/407624135.db2.gz QGIMJPWLLKGLRF-CQSZACIVSA-N -1 0 315.373 1.993 50 0 DDAARM O=C([O-])C1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)CC1 ZINC000238024269 407873795 /nfs/dbraw/zinc/87/37/95/407873795.db2.gz LDJRTLAOHJZCEF-UHFFFAOYSA-N -1 0 314.345 1.268 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cccc(C)n2)(C(=O)[O-])C1(C)C ZINC000262762339 407920272 /nfs/dbraw/zinc/92/02/72/407920272.db2.gz FWTJBCANRUOJGB-BLLLJJGKSA-N -1 0 306.362 1.778 50 0 DDAARM C[N@@H+](CC(=O)[O-])C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000262785637 407930619 /nfs/dbraw/zinc/93/06/19/407930619.db2.gz CPMWNVJVUKBEQT-ZBFHGGJFSA-N -1 0 322.380 1.530 50 0 DDAARM CCOc1ncccc1C(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000263012711 408000328 /nfs/dbraw/zinc/00/03/28/408000328.db2.gz LPYUZNVLAVUKLJ-GHMZBOCLSA-N -1 0 308.334 1.185 50 0 DDAARM COCc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])s1 ZINC000263036990 408008931 /nfs/dbraw/zinc/00/89/31/408008931.db2.gz RFPONUHSCDEVDS-UMNHJUIQSA-N -1 0 324.402 1.923 50 0 DDAARM CO[C@@H](CNC(=O)c1ccc(-c2cccs2)nc1C)C(=O)[O-] ZINC000263073522 408017812 /nfs/dbraw/zinc/01/78/12/408017812.db2.gz KCYAFJIFMDBDTN-LBPRGKRZSA-N -1 0 320.370 1.948 50 0 DDAARM CN(CCC(=O)[O-])c1nc2ccccc2nc1N1CCOCC1 ZINC000263410553 408133755 /nfs/dbraw/zinc/13/37/55/408133755.db2.gz MEDOUQLKEYBPEW-UHFFFAOYSA-N -1 0 316.361 1.377 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCC(n3cncn3)CC2)c1 ZINC000238204773 163399098 /nfs/dbraw/zinc/39/90/98/163399098.db2.gz GLKMZWAPIQOWCZ-UHFFFAOYSA-N -1 0 300.318 1.454 50 0 DDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1-n1cccn1 ZINC000263244234 163937392 /nfs/dbraw/zinc/93/73/92/163937392.db2.gz RZUGNXZEIINYNN-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM COc1ccc(CCNC(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC000263280218 163943005 /nfs/dbraw/zinc/94/30/05/163943005.db2.gz SWIHSIPVIIFGFT-UHFFFAOYSA-N -1 0 324.352 1.883 50 0 DDAARM CNc1ccccc1C(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000298913670 410447681 /nfs/dbraw/zinc/44/76/81/410447681.db2.gz LXAMJOHSKGFYCI-JTQLQIEISA-N -1 0 301.350 1.160 50 0 DDAARM CC(C)S(=O)(=O)CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000299751631 410604162 /nfs/dbraw/zinc/60/41/62/410604162.db2.gz RBWHFRSOYFWSKM-SRVKXCTJSA-N -1 0 317.407 1.054 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000044979078 418435920 /nfs/dbraw/zinc/43/59/20/418435920.db2.gz LCXGIEJJXNOLKC-ZFWWWQNUSA-N -1 0 319.357 1.678 50 0 DDAARM CC[C@@H](OC)C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049515130 418477858 /nfs/dbraw/zinc/47/78/58/418477858.db2.gz ZYCMEGBGDMAQIW-SECBINFHSA-N -1 0 306.771 1.106 50 0 DDAARM O=C([N-]OCc1ccccc1)c1cnc2sccn2c1=O ZINC000048274395 418468778 /nfs/dbraw/zinc/46/87/78/418468778.db2.gz AHYVIUJIADFSBA-UHFFFAOYSA-N -1 0 301.327 1.618 50 0 DDAARM COc1ccccc1/C(C)=C\C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000606442016 422459623 /nfs/dbraw/zinc/45/96/23/422459623.db2.gz KSGOARUBRAMAGC-PRWOLLLXSA-N -1 0 305.330 1.411 50 0 DDAARM CC(C)n1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000655597700 424588461 /nfs/dbraw/zinc/58/84/61/424588461.db2.gz WPLIZTGCGSFAML-ZDUSSCGKSA-N -1 0 302.334 1.285 50 0 DDAARM CC(=O)Nc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1 ZINC000001019438 278187095 /nfs/dbraw/zinc/18/70/95/278187095.db2.gz ORINDTIXILRUBB-UHFFFAOYSA-N -1 0 306.347 1.617 50 0 DDAARM CC(=O)Nc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000262504046 278190637 /nfs/dbraw/zinc/19/06/37/278190637.db2.gz ZBRVOVWXPPFFQF-CQSZACIVSA-N -1 0 316.357 1.972 50 0 DDAARM CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000101711092 281399006 /nfs/dbraw/zinc/39/90/06/281399006.db2.gz XAKITLZCCJWOOY-SNVBAGLBSA-N -1 0 301.298 1.578 50 0 DDAARM CN1CC[C@H](C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1=O ZINC000246742561 290192783 /nfs/dbraw/zinc/19/27/83/290192783.db2.gz YWQIFRKOUGBGHP-XQHKEYJVSA-N -1 0 308.378 1.099 50 0 DDAARM COc1cccc([C@H](C(=O)[O-])N(C)Cc2nccn2C)c1OC ZINC000095379642 295322749 /nfs/dbraw/zinc/32/27/49/295322749.db2.gz RTTAMMVMLIZVLN-CQSZACIVSA-N -1 0 319.361 1.695 50 0 DDAARM CSC[C@H](NC(=O)Cn1c(C)nc2ccccc21)C(=O)[O-] ZINC000534661888 334322103 /nfs/dbraw/zinc/32/21/03/334322103.db2.gz ZECKAHLPRHAVGV-NSHDSACASA-N -1 0 307.375 1.277 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccccc2-n2cccn2)CCOCC1 ZINC000426438509 534484990 /nfs/dbraw/zinc/48/49/90/534484990.db2.gz APFWFHHOVYZJHD-UHFFFAOYSA-N -1 0 315.329 1.236 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CSc3ccccc3O2)n1 ZINC000299753382 534509779 /nfs/dbraw/zinc/50/97/79/534509779.db2.gz YAPIOKZGHXRSFP-SNVBAGLBSA-N -1 0 319.342 1.460 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2nc3ccccc3o2)CCO1 ZINC000328589228 534524901 /nfs/dbraw/zinc/52/49/01/534524901.db2.gz HVWWMQDBNOPGKS-FYJFLYSWSA-N -1 0 302.286 1.153 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(OCC2CC2)cc1 ZINC000299747749 534539165 /nfs/dbraw/zinc/53/91/65/534539165.db2.gz DXRQTGFPMSVGNU-CQSZACIVSA-N -1 0 305.330 1.401 50 0 DDAARM CCNc1nc(C)c(C(=O)N2CCOC[C@H]2CC(=O)[O-])s1 ZINC000299791027 528441800 /nfs/dbraw/zinc/44/18/00/528441800.db2.gz CZUJBIWHANYTKQ-SECBINFHSA-N -1 0 313.379 1.199 50 0 DDAARM COc1cc(C=Cc2cc(C(=O)[O-])nc(=O)[nH]2)cc(OC)c1O ZINC000095455294 696603012 /nfs/dbraw/zinc/60/30/12/696603012.db2.gz RHTJPOLMNRTTHE-ONEGZZNKSA-N -1 0 318.285 1.361 50 0 DDAARM Cc1ccc(C(=O)N2CCC(O)(c3nnn[n-]3)CC2)c(Cl)c1 ZINC000818026835 702557530 /nfs/dbraw/zinc/55/75/30/702557530.db2.gz YTPJXUKUDNBWNR-UHFFFAOYSA-N -1 0 321.768 1.285 50 0 DDAARM CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])[nH]c(=O)n1 ZINC000952972181 721529640 /nfs/dbraw/zinc/52/96/40/721529640.db2.gz UZOZCPCIHYYQLN-GFCCVEGCSA-N -1 0 307.350 1.460 50 0 DDAARM CN(Cc1ccc2nsnc2c1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000828540383 759673523 /nfs/dbraw/zinc/67/35/23/759673523.db2.gz QLMOLMXABOLEPL-LBPRGKRZSA-N -1 0 320.374 1.696 50 0 DDAARM C/C(=C\C(=O)N1CCOC[C@H]1C(=O)[O-])CCc1ccccc1 ZINC000584908036 771884588 /nfs/dbraw/zinc/88/45/88/771884588.db2.gz BLUJBIZZQJUIIZ-FQNOHDAGSA-N -1 0 303.358 1.878 50 0 DDAARM CCn1[n-]nnc1=NC(=O)N(C)Cc1ccc(Cl)s1 ZINC000585119462 771953899 /nfs/dbraw/zinc/95/38/99/771953899.db2.gz IGBWJJULWWKDJJ-UHFFFAOYSA-N -1 0 300.775 1.494 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cnc3ccnn3c2)c1C ZINC000585129686 771961709 /nfs/dbraw/zinc/96/17/09/771961709.db2.gz RRUWNCNJGIJIQM-UHFFFAOYSA-N -1 0 320.378 1.363 50 0 DDAARM C[C@@H](NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)c1cc[nH]c(=O)c1 ZINC000263120368 539276005 /nfs/dbraw/zinc/27/60/05/539276005.db2.gz CGYDYVCGYKGMSB-CKYFFXLPSA-N -1 0 307.350 1.600 50 0 DDAARM CCC[C@@H](NC(=O)c1cccc(-n2cccn2)n1)c1nnn[n-]1 ZINC000089949690 185271076 /nfs/dbraw/zinc/27/10/76/185271076.db2.gz ZNWRVNMDNOGISY-SNVBAGLBSA-N -1 0 312.337 1.052 50 0 DDAARM CC(C)C[C@H](NC(=O)c1cn(Cc2ccccc2)nn1)C(=O)[O-] ZINC000095427717 185361989 /nfs/dbraw/zinc/36/19/89/185361989.db2.gz CSDWXEJBFNVPMX-ZDUSSCGKSA-N -1 0 316.361 1.556 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2nnc(C(C)(C)C)s2)cn1 ZINC000083956322 192393125 /nfs/dbraw/zinc/39/31/25/192393125.db2.gz NJCBELIILXAWRC-UHFFFAOYSA-N -1 0 315.424 1.853 50 0 DDAARM COc1cc2c(cc1CN1CCOC[C@@H]1CC(=O)[O-])CCC2 ZINC000072152825 191057187 /nfs/dbraw/zinc/05/71/87/191057187.db2.gz MWKYIUXNJZBLQD-HNNXBMFYSA-N -1 0 305.374 1.859 50 0 DDAARM O=C([N-]S(=O)(=O)c1cnccn1)C(F)(F)c1ccccc1 ZINC000152479473 186077736 /nfs/dbraw/zinc/07/77/36/186077736.db2.gz QXSXEEXGXCWHFC-UHFFFAOYSA-N -1 0 313.285 1.074 50 0 DDAARM COc1ccsc1S(=O)(=O)[N-]c1ncc(OC)cn1 ZINC000225632784 186284922 /nfs/dbraw/zinc/28/49/22/186284922.db2.gz PIGBPNLCAWLYHC-UHFFFAOYSA-N -1 0 301.349 1.356 50 0 DDAARM C[C@@H](Nc1cc(-c2ccccc2)nc2ccnn21)c1n[nH]c(=O)[n-]1 ZINC000072417797 191155966 /nfs/dbraw/zinc/15/59/66/191155966.db2.gz KNQVIESTFJMZOR-SNVBAGLBSA-N -1 0 321.344 1.981 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000072462495 191172160 /nfs/dbraw/zinc/17/21/60/191172160.db2.gz PXBNXGQBESJGOB-CYBMUJFWSA-N -1 0 303.362 1.642 50 0 DDAARM COC(=O)c1cscc1NC(=O)c1nccnc1C(=O)[O-] ZINC000000147570 180708424 /nfs/dbraw/zinc/70/84/24/180708424.db2.gz WPYZSRJUWLANHA-UHFFFAOYSA-N -1 0 307.287 1.275 50 0 DDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1=O ZINC000002911919 180970129 /nfs/dbraw/zinc/97/01/29/180970129.db2.gz ICEYEDNGFRDFOR-AWEZNQCLSA-N -1 0 311.293 1.684 50 0 DDAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)NCC(=O)[O-])cc2oc1=O ZINC000004046471 181066588 /nfs/dbraw/zinc/06/65/88/181066588.db2.gz RIIKYORKAXVOAH-SNVBAGLBSA-N -1 0 319.313 1.378 50 0 biogenic DDAARM CCCc1nc(=N[C@@H](c2cnn(C)c2)c2noc(C)n2)s[n-]1 ZINC000585134672 354811265 /nfs/dbraw/zinc/81/12/65/354811265.db2.gz FSEDDWQFHJPJFP-NSHDSACASA-N -1 0 319.394 1.539 50 0 DDAARM CCc1cccc2c(CC(=O)N3CCO[C@H](C(=O)[O-])C3)c[nH]c21 ZINC000237000239 202116966 /nfs/dbraw/zinc/11/69/66/202116966.db2.gz WAXHOURBSTVVPI-AWEZNQCLSA-N -1 0 316.357 1.585 50 0 DDAARM CCc1cccc2c(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)c[nH]c21 ZINC000237000168 202116995 /nfs/dbraw/zinc/11/69/95/202116995.db2.gz WAXHOURBSTVVPI-CQSZACIVSA-N -1 0 316.357 1.585 50 0 DDAARM CN(CCCOc1ccccc1)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237109740 202154813 /nfs/dbraw/zinc/15/48/13/202154813.db2.gz QUOYDIBAQZUYGG-HNNXBMFYSA-N -1 0 320.389 1.463 50 0 DDAARM C[C@@H](CN(C)C(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)[O-] ZINC000237412783 202257975 /nfs/dbraw/zinc/25/79/75/202257975.db2.gz BMLFEBRDMITHRK-LBPRGKRZSA-N -1 0 318.373 1.996 50 0 DDAARM O=C([O-])CN(C(=O)c1cc(N2CCNC2=O)ccc1F)C1CC1 ZINC000089769755 192862886 /nfs/dbraw/zinc/86/28/86/192862886.db2.gz CFCGYXKVFZDOIN-UHFFFAOYSA-N -1 0 321.308 1.045 50 0 DDAARM Cc1cccc2c(CC(=O)N3CCO[C@H](C(=O)[O-])C3)c[nH]c21 ZINC000237757129 202347983 /nfs/dbraw/zinc/34/79/83/202347983.db2.gz WFGSNGPTZHEMAI-ZDUSSCGKSA-N -1 0 302.330 1.331 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)cn1C ZINC000006800510 181391163 /nfs/dbraw/zinc/39/11/63/181391163.db2.gz GUXBYNZPZFPSPI-UHFFFAOYSA-N -1 0 312.322 1.752 50 0 DDAARM O=C([O-])c1coc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)n1 ZINC000091655898 193085663 /nfs/dbraw/zinc/08/56/63/193085663.db2.gz LNFYARBNQPWKSR-NXEZZACHSA-N -1 0 317.301 1.068 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@]12CCc1ccccc12 ZINC000263269084 304135230 /nfs/dbraw/zinc/13/52/30/304135230.db2.gz LPPOWJNZVPEGCD-JKIFEVAISA-N -1 0 301.342 1.203 50 0 DDAARM C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)CS2 ZINC000261657102 203088693 /nfs/dbraw/zinc/08/86/93/203088693.db2.gz KERSXGJPQZBVMO-IAQYHMDHSA-N -1 0 320.370 1.777 50 0 DDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262097751 203198605 /nfs/dbraw/zinc/19/86/05/203198605.db2.gz IOAZFZSUBLBGQH-ZWNOBZJWSA-N -1 0 311.309 1.295 50 0 DDAARM COc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nn1 ZINC000262317417 203259104 /nfs/dbraw/zinc/25/91/04/203259104.db2.gz CEJNAGOTXFSIJR-JLLWLGSASA-N -1 0 305.334 1.343 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000020027758 182180883 /nfs/dbraw/zinc/18/08/83/182180883.db2.gz HCTDLSSJOFVDIP-SNVBAGLBSA-N -1 0 300.314 1.465 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1C)C(=O)[O-] ZINC000037375332 182884467 /nfs/dbraw/zinc/88/44/67/182884467.db2.gz MOXOTROQGQBOCX-SNVBAGLBSA-N -1 0 321.395 1.619 50 0 DDAARM CN(C)S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000040764749 183131793 /nfs/dbraw/zinc/13/17/93/183131793.db2.gz SMPQUFAQUMFJGI-UHFFFAOYSA-N -1 0 312.269 1.622 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)CCO1 ZINC000043701440 183381683 /nfs/dbraw/zinc/38/16/83/183381683.db2.gz FFHHFMCICJUAGV-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000268914701 207080526 /nfs/dbraw/zinc/08/05/26/207080526.db2.gz PLCRYPFKIHGHSB-KBPBESRZSA-N -1 0 321.348 1.711 50 0 DDAARM CCCOc1ccc([C@@]2(CC)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000057842197 184056425 /nfs/dbraw/zinc/05/64/25/184056425.db2.gz OLPBKBBZDRONGK-MRXNPFEDSA-N -1 0 320.345 1.717 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000268985241 207143443 /nfs/dbraw/zinc/14/34/43/207143443.db2.gz PLIYSBAVBACCCP-JTQLQIEISA-N -1 0 319.235 1.511 50 0 DDAARM CN(C(=O)C1(C(=O)[O-])CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000154899246 197003029 /nfs/dbraw/zinc/00/30/29/197003029.db2.gz OBMQXCBOHPTHFN-ZDUSSCGKSA-N -1 0 316.357 1.505 50 0 DDAARM Cc1ccc(N2CCC[C@@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)cc1 ZINC000154934264 197006605 /nfs/dbraw/zinc/00/66/05/197006605.db2.gz KODLIYSOWKJFCR-CYBMUJFWSA-N -1 0 316.357 1.471 50 0 DDAARM C[C@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C[C@H](C)O1 ZINC000000540881 257213673 /nfs/dbraw/zinc/21/36/73/257213673.db2.gz ZJOGADBZWGFYOX-OBJOEFQTSA-N -1 0 306.362 1.501 50 0 DDAARM COc1ccccc1[C@H](C)CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268977146 257257031 /nfs/dbraw/zinc/25/70/31/257257031.db2.gz KOZXJSOCTXSKDB-DGCLKSJQSA-N -1 0 307.346 1.501 50 0 DDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cc1cn2ccccc2n1 ZINC000261636139 407564683 /nfs/dbraw/zinc/56/46/83/407564683.db2.gz DKPZVPJFJIALEI-GHJWDPDVSA-N -1 0 313.357 1.589 50 0 DDAARM CCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000000182408 406629547 /nfs/dbraw/zinc/62/95/47/406629547.db2.gz DSEYIKWVSGYNEA-JTQLQIEISA-N -1 0 312.391 1.886 50 0 DDAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)Nc1cccc(O)c1 ZINC000000236772 406634844 /nfs/dbraw/zinc/63/48/44/406634844.db2.gz FLUJXBBGAJBRLX-ZDUSSCGKSA-N -1 0 304.302 1.557 50 0 DDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-] ZINC000002504757 406689879 /nfs/dbraw/zinc/68/98/79/406689879.db2.gz MJRWXIQFTMLYFG-LBPRGKRZSA-N -1 0 322.361 1.323 50 0 DDAARM COc1ccc(C(=O)Nc2c(N)nc(SC)[n-]c2=O)cc1 ZINC000005081533 406733800 /nfs/dbraw/zinc/73/38/00/406733800.db2.gz FMIDZGKASVPHFK-UHFFFAOYSA-N -1 0 306.347 1.335 50 0 DDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000005817489 406737104 /nfs/dbraw/zinc/73/71/04/406737104.db2.gz MJMPDDCRJLXVNW-OWBHPGMISA-N -1 0 313.357 1.994 50 0 DDAARM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)NCc1ccoc1 ZINC000069461220 406718062 /nfs/dbraw/zinc/71/80/62/406718062.db2.gz KCNWDSZXKWPJEZ-UHFFFAOYSA-N -1 0 300.318 1.091 50 0 DDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1cccc2ncccc21 ZINC000008134293 406779827 /nfs/dbraw/zinc/77/98/27/406779827.db2.gz IMUFMQLOFIATNQ-UHFFFAOYSA-N -1 0 310.313 1.114 50 0 DDAARM COc1cc(OC)cc(C(=O)N[C@@H](CCSC)C(=O)[O-])c1 ZINC000008274288 406783236 /nfs/dbraw/zinc/78/32/36/406783236.db2.gz ZDINCSSCZSUAJU-LBPRGKRZSA-N -1 0 313.375 1.640 50 0 DDAARM Cc1cc(O)c2c(C)c(CC(=O)N[C@H](C)C(=O)[O-])c(=O)oc2c1 ZINC000011865393 406831548 /nfs/dbraw/zinc/83/15/48/406831548.db2.gz UVROLOKXJYRRMD-SECBINFHSA-N -1 0 319.313 1.247 50 0 DDAARM CC(C)NC(=O)[C@@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000071289434 406837913 /nfs/dbraw/zinc/83/79/13/406837913.db2.gz XTXPPMZOMDCDNG-SECBINFHSA-N -1 0 321.406 1.533 50 0 DDAARM Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000014728861 406876273 /nfs/dbraw/zinc/87/62/73/406876273.db2.gz SNZUCAIBSMTKPN-UHFFFAOYSA-N -1 0 321.387 1.739 50 0 DDAARM CCn1c(=O)c2ccc(C(=O)N3CCCC3)cc2[n-]c1=S ZINC000017356486 406883656 /nfs/dbraw/zinc/88/36/56/406883656.db2.gz ORKHIIYIVGWGHJ-UHFFFAOYSA-N -1 0 303.387 1.941 50 0 DDAARM Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037376999 406988400 /nfs/dbraw/zinc/98/84/00/406988400.db2.gz BAIJOJWBDARVOD-SNVBAGLBSA-N -1 0 301.339 1.619 50 0 DDAARM Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)c3nnn[n-]3)cc2)n1 ZINC000077520714 406994311 /nfs/dbraw/zinc/99/43/11/406994311.db2.gz JFICPFXTNUVUPQ-LLVKDONJSA-N -1 0 311.349 1.493 50 0 DDAARM CC[C@@](C)(NC(=O)C[C@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000089941975 407160787 /nfs/dbraw/zinc/16/07/87/407160787.db2.gz VIOLRPDNILRAAB-XJKSGUPXSA-N -1 0 306.362 1.623 50 0 DDAARM CSCC[C@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000096221909 407253315 /nfs/dbraw/zinc/25/33/15/407253315.db2.gz ZVGACXHTMFKLII-LBPRGKRZSA-N -1 0 309.387 1.487 50 0 DDAARM Cc1nn(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c1Cl ZINC000096402425 407259888 /nfs/dbraw/zinc/25/98/88/407259888.db2.gz LVEUFJRCCLLDPA-JTQLQIEISA-N -1 0 301.774 1.769 50 0 DDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1snnc1C(C)C ZINC000055568703 407205446 /nfs/dbraw/zinc/20/54/46/407205446.db2.gz RSJRRRZSACSEKN-UHFFFAOYSA-N -1 0 323.378 1.812 50 0 DDAARM Cc1noc(C)c1CCC(=O)N1CCc2[nH]cnc2[C@H]1C(=O)[O-] ZINC000095370538 407210195 /nfs/dbraw/zinc/21/01/95/407210195.db2.gz AYFVSFWKUQYISG-AWEZNQCLSA-N -1 0 318.333 1.158 50 0 DDAARM CCn1ccnc1CN(C)[C@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000095375910 407211016 /nfs/dbraw/zinc/21/10/16/407211016.db2.gz SXKLGDBVGSUASI-HNNXBMFYSA-N -1 0 317.345 1.889 50 0 DDAARM Cc1nc(CC(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)cs1 ZINC000095385136 407212647 /nfs/dbraw/zinc/21/26/47/407212647.db2.gz TZCFAIAEARXRLE-LBPRGKRZSA-N -1 0 308.363 1.276 50 0 DDAARM CCC[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1nnn[n-]1 ZINC000096466431 407269784 /nfs/dbraw/zinc/26/97/84/407269784.db2.gz PPLLJYBLZXLZAV-QMMMGPOBSA-N -1 0 314.271 1.885 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000097463513 407293903 /nfs/dbraw/zinc/29/39/03/407293903.db2.gz WVRAMGHDIVZYIB-UONOGXRCSA-N -1 0 317.385 1.998 50 0 DDAARM COCCN(Cc1cccnc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097638074 407301074 /nfs/dbraw/zinc/30/10/74/407301074.db2.gz HGGUDRZRNGBAFU-UONOGXRCSA-N -1 0 306.362 1.558 50 0 DDAARM COCc1cc(CN(C)C(=O)c2ccc(C(=O)[O-])s2)[nH]n1 ZINC000097813695 407302701 /nfs/dbraw/zinc/30/27/01/407302701.db2.gz VWLQMRGXVBNCII-UHFFFAOYSA-N -1 0 309.347 1.588 50 0 DDAARM Cc1cc(=O)n(CC(=O)[O-])c(=O)n1-c1ccc(F)c(Cl)c1 ZINC000098063788 407304892 /nfs/dbraw/zinc/30/48/92/407304892.db2.gz RIULSZGDNPTTLZ-UHFFFAOYSA-N -1 0 312.684 1.185 50 0 DDAARM COc1cccc(C=C2SC(=O)NC2=O)c1OCC(=O)[O-] ZINC000098063823 407305144 /nfs/dbraw/zinc/30/51/44/407305144.db2.gz DUOBPJLBIJVAJP-WEVVVXLNSA-N -1 0 309.299 1.483 50 0 DDAARM COc1cnc([N-]S(=O)(=O)c2cncc(Cl)c2)cn1 ZINC000225397902 407579580 /nfs/dbraw/zinc/57/95/80/407579580.db2.gz LYZCHBGTOLNVHQ-UHFFFAOYSA-N -1 0 300.727 1.334 50 0 DDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc(F)cc1C(F)(F)F ZINC000225549534 407594321 /nfs/dbraw/zinc/59/43/21/407594321.db2.gz XGNQGCDBUJVERC-UHFFFAOYSA-N -1 0 310.232 1.763 50 0 DDAARM Cc1ccc(OCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)c1 ZINC000261987021 407701635 /nfs/dbraw/zinc/70/16/35/407701635.db2.gz SKBJJXREEKRPPI-AWEZNQCLSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCO1 ZINC000262030299 407716831 /nfs/dbraw/zinc/71/68/31/407716831.db2.gz YTBFGQZPTVCTQS-JTQLQIEISA-N -1 0 319.235 1.511 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000236688385 407752162 /nfs/dbraw/zinc/75/21/62/407752162.db2.gz GEYUGQXBMFYZMI-CABCVRRESA-N -1 0 318.373 1.495 50 0 DDAARM CCN1CCN(c2ccc(C(=O)NCCC(=O)[O-])cc2F)CC1 ZINC000262147397 407750368 /nfs/dbraw/zinc/75/03/68/407750368.db2.gz ADDLKMAVHMGWHU-UHFFFAOYSA-N -1 0 323.368 1.172 50 0 DDAARM O=C([O-])COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C2CC2)cc1 ZINC000237986836 407863124 /nfs/dbraw/zinc/86/31/24/407863124.db2.gz SUUXWZPYJNVKFW-HUUCEWRRSA-N -1 0 303.358 1.855 50 0 DDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCn1ccccc1=O ZINC000237983591 407863294 /nfs/dbraw/zinc/86/32/94/407863294.db2.gz WXOXCSXGAJLRAY-CYBMUJFWSA-N -1 0 306.362 1.484 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000238070238 407882910 /nfs/dbraw/zinc/88/29/10/407882910.db2.gz GUCWLGXCKINCMT-CQSZACIVSA-N -1 0 316.357 1.432 50 0 DDAARM Cc1ccn2cc(C(=O)N[C@H](C(=O)[O-])[C@@H]3CCCOC3)nc2c1 ZINC000262737979 407912678 /nfs/dbraw/zinc/91/26/78/407912678.db2.gz HXYAGFGQTKITGI-RISCZKNCSA-N -1 0 317.345 1.252 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCO1 ZINC000238195069 407896512 /nfs/dbraw/zinc/89/65/12/407896512.db2.gz LFXMRUWCVSYGEK-CYBMUJFWSA-N -1 0 307.321 1.559 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ncoc2-c2cccs2)CCO1 ZINC000238197997 407898936 /nfs/dbraw/zinc/89/89/36/407898936.db2.gz BFWWAPTTWFIWHW-SECBINFHSA-N -1 0 322.342 1.719 50 0 DDAARM Cc1noc(C)c1C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000262948624 407980159 /nfs/dbraw/zinc/98/01/59/407980159.db2.gz HCKLSFFUFVIOQI-AWEZNQCLSA-N -1 0 316.313 1.782 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000136486820 408108633 /nfs/dbraw/zinc/10/86/33/408108633.db2.gz VOSKXHZYMOBSSM-ZDUSSCGKSA-N -1 0 318.308 1.486 50 0 DDAARM O=C([O-])CCCNC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000263477425 408150887 /nfs/dbraw/zinc/15/08/87/408150887.db2.gz JSLVBCXZOCFRSC-UHFFFAOYSA-N -1 0 305.334 1.565 50 0 DDAARM C[C@@H]1CN(C(=O)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)C[C@H](C)O1 ZINC000299743013 410603642 /nfs/dbraw/zinc/60/36/42/410603642.db2.gz LNJXYQXHSFZVKF-AICCOOGYSA-N -1 0 324.421 1.340 50 0 DDAARM Cc1[nH]c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2c1C ZINC000299744243 410604726 /nfs/dbraw/zinc/60/47/26/410604726.db2.gz RHLORIWRCPAFJU-CQSZACIVSA-N -1 0 302.330 1.710 50 0 DDAARM O=C([O-])C1(NC(=O)COc2ccc(F)cc2Cl)CCC1 ZINC000129023764 196013413 /nfs/dbraw/zinc/01/34/13/196013413.db2.gz CEJGDTBHNMTMES-UHFFFAOYSA-N -1 0 301.701 1.981 50 0 DDAARM COc1ccc([C@H](C)C(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000647781056 423045757 /nfs/dbraw/zinc/04/57/57/423045757.db2.gz ZOKPVJUNYCTXEG-VIFPVBQESA-N -1 0 304.306 1.114 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 ZINC000136131315 196522388 /nfs/dbraw/zinc/52/23/88/196522388.db2.gz YRKOFKNONIYUKS-LBPRGKRZSA-N -1 0 314.341 1.325 50 0 DDAARM CC1(C)Oc2cc(NC(=O)CCCC(=O)[O-])ccc2NC1=O ZINC000046088402 418445683 /nfs/dbraw/zinc/44/56/83/418445683.db2.gz JLMJFEFGWWEZLQ-UHFFFAOYSA-N -1 0 306.318 1.990 50 0 DDAARM CCn1c(=O)c2ccc(C(=O)NCC3CC3)cc2[n-]c1=S ZINC000102909843 418495480 /nfs/dbraw/zinc/49/54/80/418495480.db2.gz UHKLDKBXEQGNMH-UHFFFAOYSA-N -1 0 303.387 1.845 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)NCC3CCC3)cc2[n-]c1=S ZINC000103154734 418496118 /nfs/dbraw/zinc/49/61/18/418496118.db2.gz LGTPYLSBLDUISU-UHFFFAOYSA-N -1 0 303.387 1.752 50 0 DDAARM CN(C)c1cccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)c1 ZINC000103445608 418496336 /nfs/dbraw/zinc/49/63/36/418496336.db2.gz WTGXVNZLSDKWAT-OAHLLOKOSA-N -1 0 323.352 1.996 50 0 DDAARM C[C@]1(C(=O)[O-])CCCN1Cc1nnnn1Cc1ccccc1 ZINC000309579364 418590091 /nfs/dbraw/zinc/59/00/91/418590091.db2.gz UCOVTOWSGOKIDY-OAHLLOKOSA-N -1 0 301.350 1.161 50 0 DDAARM COc1cccc2c(C)c(C(=O)N3CCO[C@H](C(=O)[O-])C3)oc21 ZINC000408513486 418806192 /nfs/dbraw/zinc/80/61/92/418806192.db2.gz YMQJMWPOVUPAHL-LBPRGKRZSA-N -1 0 319.313 1.675 50 0 DDAARM Cc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO ZINC000408519737 418807897 /nfs/dbraw/zinc/80/78/97/418807897.db2.gz XEQKKKCCMBRDIX-CYBMUJFWSA-N -1 0 324.377 1.601 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)CCCO3)CCOCC1 ZINC000426484412 419480108 /nfs/dbraw/zinc/48/01/08/419480108.db2.gz HBBGXZGFGFXZGV-UHFFFAOYSA-N -1 0 305.330 1.375 50 0 DDAARM O=C([O-])CNC(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000426439005 419470686 /nfs/dbraw/zinc/47/06/86/419470686.db2.gz RTXUPBASZUXIFC-QPJJXVBHSA-N -1 0 303.362 1.112 50 0 DDAARM CCn1ncnc1[C@@H](C)NC(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426593677 228589170 /nfs/dbraw/zinc/58/91/70/228589170.db2.gz KAXVGDPBXPRIJR-SECBINFHSA-N -1 0 318.333 1.496 50 0 DDAARM O=C([O-])[C@@H]1C=CCN1C(=O)CCc1nc2cc(F)ccc2[nH]1 ZINC000426517560 419495681 /nfs/dbraw/zinc/49/56/81/419495681.db2.gz JLAWWKGFBLWNBL-LBPRGKRZSA-N -1 0 303.293 1.486 50 0 DDAARM COc1cccc2c1OCC(C(=O)NC1(C(=O)[O-])CCCC1)=C2 ZINC000299747625 229389043 /nfs/dbraw/zinc/38/90/43/229389043.db2.gz DLHUMNMEEAISFW-UHFFFAOYSA-N -1 0 317.341 1.985 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000299748612 229390734 /nfs/dbraw/zinc/39/07/34/229390734.db2.gz HROFJFQCHVGDSD-KGLIPLIRSA-N -1 0 303.358 1.572 50 0 DDAARM CC(C)c1noc2ncc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc21 ZINC000521365978 421784156 /nfs/dbraw/zinc/78/41/56/421784156.db2.gz ASSBJAAONXTIPU-NSHDSACASA-N -1 0 319.317 1.272 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])C2 ZINC000299749210 295268692 /nfs/dbraw/zinc/26/86/92/295268692.db2.gz JLNXXEDKNFMCEF-OCCSQVGLSA-N -1 0 319.357 1.712 50 0 DDAARM C[C@H](CNC(=O)[C@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000123207867 298759407 /nfs/dbraw/zinc/75/94/07/298759407.db2.gz FWPSVHVIKCCMBR-DYEKYZERSA-N -1 0 318.373 1.433 50 0 DDAARM C[C@H](NC(=O)CCCCSc1ncnc2[nH]cnc21)C(=O)[O-] ZINC000006694090 299044499 /nfs/dbraw/zinc/04/44/99/299044499.db2.gz CYTRUWBIXUFCQC-QMMMGPOBSA-N -1 0 323.378 1.205 50 0 DDAARM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(-c3ccn(C)n3)c(=O)c12 ZINC000017056004 300950338 /nfs/dbraw/zinc/95/03/38/300950338.db2.gz TWKJZPBEHOYBGI-UHFFFAOYSA-N -1 0 322.371 1.850 50 0 DDAARM Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1c[nH]nc1C(=O)[O-] ZINC000067675856 303043254 /nfs/dbraw/zinc/04/32/54/303043254.db2.gz PKIWDYXFIPDIFI-ZETCQYMHSA-N -1 0 301.306 1.193 50 0 DDAARM Cn1cc(CN2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)[O-])cn1 ZINC000534577751 334288440 /nfs/dbraw/zinc/28/84/40/334288440.db2.gz FEPASGBWABNZDL-INIZCTEOSA-N -1 0 310.357 1.913 50 0 DDAARM CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1n[nH]c(=O)[n-]1 ZINC000084736509 484001802 /nfs/dbraw/zinc/00/18/02/484001802.db2.gz PZFQXOVOKCZNSW-LLVKDONJSA-N -1 0 301.350 1.381 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2nc(-c3ccccc3)ns2)C1 ZINC000662898084 484529540 /nfs/dbraw/zinc/52/95/40/484529540.db2.gz RRFSYJJJCHTOKO-GARJFASQSA-N -1 0 305.359 1.841 50 0 DDAARM COc1ccccc1/C(C)=C/C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000328594778 533938558 /nfs/dbraw/zinc/93/85/58/533938558.db2.gz BKYYNZOMEUFTAQ-MARXPDLDSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1ccccc1CN(C(=O)Cn1[n-]nnc1=N)C1CCCC1 ZINC000952966268 721528664 /nfs/dbraw/zinc/52/86/64/721528664.db2.gz VYEIMOQQGZWRHT-UHFFFAOYSA-N -1 0 314.393 1.365 50 0 DDAARM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21)C1CC1 ZINC000176565638 745498834 /nfs/dbraw/zinc/49/88/34/745498834.db2.gz HEZNESJRGUCNFS-LLVKDONJSA-N -1 0 308.403 1.846 50 0 DDAARM COc1cccc([C@@H]2[C@@H](C(=O)[O-])SCC(=O)N2C2CC2)c1 ZINC000824787826 759203429 /nfs/dbraw/zinc/20/34/29/759203429.db2.gz NLPBAFRUVCWLHR-KGLIPLIRSA-N -1 0 307.371 1.927 50 0 DDAARM CO[N-]C(=O)[C@H]1CCCN1C(=O)c1cncn1-c1ccccc1 ZINC000585089457 771939478 /nfs/dbraw/zinc/93/94/78/771939478.db2.gz OGWKMDAFQSUJLB-CYBMUJFWSA-N -1 0 314.345 1.155 50 0 DDAARM CCOc1ccncc1S(=O)(=O)[N-]c1cccnc1N(C)C ZINC000585129830 771962507 /nfs/dbraw/zinc/96/25/07/771962507.db2.gz YDCAVNMMLZWIMT-UHFFFAOYSA-N -1 0 322.390 1.742 50 0 DDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3=O)o1 ZINC000328594042 231234184 /nfs/dbraw/zinc/23/41/84/231234184.db2.gz KNWSWLCYURBAPQ-UHFFFAOYSA-N -1 0 307.331 1.698 50 0 DDAARM C[C@@H]1CN(C(=O)c2cncc(C(F)(F)F)c2)C[C@H]1C(=O)[O-] ZINC000263210996 539275943 /nfs/dbraw/zinc/27/59/43/539275943.db2.gz NNFRIHZZBGRQKF-GMSGAONNSA-N -1 0 302.252 1.893 50 0 DDAARM COc1ccccc1-c1nc(CC(=O)N[C@H](C)C(=O)[O-])cs1 ZINC000095471337 185372576 /nfs/dbraw/zinc/37/25/76/185372576.db2.gz HASCIVJRYLFTOI-SECBINFHSA-N -1 0 320.370 1.951 50 0 DDAARM C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)O1 ZINC000119356141 185732370 /nfs/dbraw/zinc/73/23/70/185732370.db2.gz NIMXJQSGEUNBHM-OIBJUYFYSA-N -1 0 304.755 1.107 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC000071288503 190953203 /nfs/dbraw/zinc/95/32/03/190953203.db2.gz BWYKPZFFJZEABP-NEPJUHHUSA-N -1 0 300.318 1.563 50 0 DDAARM CO[C@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000148243599 186044079 /nfs/dbraw/zinc/04/40/79/186044079.db2.gz WKLRPUTUBYHXDD-SECBINFHSA-N -1 0 306.099 1.933 50 0 DDAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)Cn3cncn3)C2)cc1 ZINC000072410318 191153635 /nfs/dbraw/zinc/15/36/35/191153635.db2.gz IMMZHTODGYLXAD-ZDUSSCGKSA-N -1 0 314.345 1.068 50 0 DDAARM CCc1cc(N[C@@H](C)c2n[nH]c(=O)[n-]2)n2nc(C)c(C)c2n1 ZINC000072411261 191153805 /nfs/dbraw/zinc/15/38/05/191153805.db2.gz VIVWPFSYWCGFST-VIFPVBQESA-N -1 0 301.354 1.493 50 0 DDAARM CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000002983233 352110904 /nfs/dbraw/zinc/11/09/04/352110904.db2.gz XFTSMQGDJZQTIB-LSDHHAIUSA-N -1 0 320.389 1.349 50 0 DDAARM CCOC(=O)N1CCC(NC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000000151664 180709603 /nfs/dbraw/zinc/70/96/03/180709603.db2.gz FYSWTKGNKMIVQB-UHFFFAOYSA-N -1 0 320.345 1.736 50 0 DDAARM COc1cc([C@H](CC(=O)[O-])n2cnnn2)ccc1OC(C)C ZINC000001235068 180850370 /nfs/dbraw/zinc/85/03/70/180850370.db2.gz FTTQXXKKCMZGGO-NSHDSACASA-N -1 0 306.322 1.533 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000076020308 353390639 /nfs/dbraw/zinc/39/06/39/353390639.db2.gz SJRWJDMABOPSCJ-ZIAGYGMSSA-N -1 0 310.419 1.801 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCCCC1)c1cccc2cc[nH]c21 ZINC000076090292 353398411 /nfs/dbraw/zinc/39/84/11/353398411.db2.gz NFVFLOBYODSBJM-UHFFFAOYSA-N -1 0 307.375 1.628 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000003150128 180986247 /nfs/dbraw/zinc/98/62/47/180986247.db2.gz XGDABHXCVGCHBB-QWRGUYRKSA-N -1 0 312.366 1.462 50 0 DDAARM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000236799102 202014608 /nfs/dbraw/zinc/01/46/08/202014608.db2.gz XMYZSQXUTVRWJM-JTQLQIEISA-N -1 0 324.402 1.919 50 0 DDAARM COC(=O)[C@H](C)SC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000004329637 181098745 /nfs/dbraw/zinc/09/87/45/181098745.db2.gz HKVPVWAEEFQMSW-ZETCQYMHSA-N -1 0 300.361 1.452 50 0 DDAARM Cc1nonc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000195573200 354297759 /nfs/dbraw/zinc/29/77/59/354297759.db2.gz OMZHLWVNKNVRJE-UHFFFAOYSA-N -1 0 313.383 1.648 50 0 DDAARM O=C([O-])c1cc(NC(=O)CSc2nc[nH]n2)ccc1Cl ZINC000004769869 181149730 /nfs/dbraw/zinc/14/97/30/181149730.db2.gz KOJVQVLFWVZZQW-UHFFFAOYSA-N -1 0 312.738 1.887 50 0 DDAARM O=CNCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004764563 181149966 /nfs/dbraw/zinc/14/99/66/181149966.db2.gz WQGAAAXDBHLCJF-CYBMUJFWSA-N -1 0 308.334 1.282 50 0 DDAARM O=C([O-])CCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000008765064 304045767 /nfs/dbraw/zinc/04/57/67/304045767.db2.gz RASWLHVGCNLLJG-NWDGAFQWSA-N -1 0 304.346 1.049 50 0 DDAARM O=C([O-])CCCNC(=O)CCCNC(=O)NC1CCCCC1 ZINC000089818449 304049629 /nfs/dbraw/zinc/04/96/29/304049629.db2.gz KTOBUXLQLUNKCN-UHFFFAOYSA-N -1 0 313.398 1.380 50 0 DDAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NC[C@@H]1CCCO1 ZINC000005687479 181273106 /nfs/dbraw/zinc/27/31/06/181273106.db2.gz PDKNIXUQHZFTNE-JTQLQIEISA-N -1 0 302.330 1.071 50 0 DDAARM CC(C)N1CC[C@@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)C1=O ZINC000236829120 202029839 /nfs/dbraw/zinc/02/98/39/202029839.db2.gz VTWRYPARCDYGPE-CQSZACIVSA-N -1 0 318.373 1.443 50 0 DDAARM CCc1nc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cs1 ZINC000237032324 202128147 /nfs/dbraw/zinc/12/81/47/202128147.db2.gz UQCCIIONKQZTJE-UHFFFAOYSA-N -1 0 312.391 1.340 50 0 DDAARM CNC(=O)[C@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000237154774 202170857 /nfs/dbraw/zinc/17/08/57/202170857.db2.gz UXNOQQJPLXCOJN-CYBMUJFWSA-N -1 0 304.346 1.054 50 0 DDAARM Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000237654088 202318841 /nfs/dbraw/zinc/31/88/41/202318841.db2.gz VMNIRDJFMYTQGP-QWHCGFSZSA-N -1 0 316.357 1.281 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000237659516 202320101 /nfs/dbraw/zinc/32/01/01/202320101.db2.gz XIBJDNXKSJALSR-QGZVFWFLSA-N -1 0 316.357 1.750 50 0 DDAARM Cc1[nH]c2c(cccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1C ZINC000237724317 202340470 /nfs/dbraw/zinc/34/04/70/202340470.db2.gz MBCVBKNWUPVCCP-CYBMUJFWSA-N -1 0 302.330 1.710 50 0 DDAARM Cc1ccc(CN2C[C@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)cc1 ZINC000237729300 202340969 /nfs/dbraw/zinc/34/09/69/202340969.db2.gz MYCARDQEAOWCTC-CYBMUJFWSA-N -1 0 316.357 1.077 50 0 DDAARM CCCn1nccc1C(=O)N1CCC[C@@](CCOC)(C(=O)[O-])C1 ZINC000091746644 193101340 /nfs/dbraw/zinc/10/13/40/193101340.db2.gz POFSGFKWELWXHD-INIZCTEOSA-N -1 0 323.393 1.637 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000092020121 193143258 /nfs/dbraw/zinc/14/32/58/193143258.db2.gz RIVSLWVNTWIOPW-QGZVFWFLSA-N -1 0 321.373 1.522 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000268926641 304139810 /nfs/dbraw/zinc/13/98/10/304139810.db2.gz WKZVHECMIZEXCY-MJBXVCDLSA-N -1 0 316.357 1.187 50 0 DDAARM O=C([N-]CCO)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000261494937 203073611 /nfs/dbraw/zinc/07/36/11/203073611.db2.gz VISJQPWOFLESHS-UHFFFAOYSA-N -1 0 318.629 1.954 50 0 DDAARM COCc1nc(C(=O)NCc2nc(C(=O)[O-])cs2)cs1 ZINC000262743114 203397018 /nfs/dbraw/zinc/39/70/18/203397018.db2.gz JNVYAMPTGMYTRY-UHFFFAOYSA-N -1 0 313.360 1.374 50 0 DDAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)c1ccc2c(c1)CCC2 ZINC000072429268 304162444 /nfs/dbraw/zinc/16/24/44/304162444.db2.gz VCHSHYICKFYZRK-HNNXBMFYSA-N -1 0 311.341 1.723 50 0 DDAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccccc2N)C1=O ZINC000009357713 181617010 /nfs/dbraw/zinc/61/70/10/181617010.db2.gz UJEMILQVJMHBQE-JLHYYAGUSA-N -1 0 316.361 1.833 50 0 DDAARM COc1ccccc1OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000013168324 181836017 /nfs/dbraw/zinc/83/60/17/181836017.db2.gz FNZXSFXHDNQFIC-UHFFFAOYSA-N -1 0 307.346 1.978 50 0 DDAARM NC(=O)c1ccsc1NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017056021 182073315 /nfs/dbraw/zinc/07/33/15/182073315.db2.gz VFBOXGLFJANVJU-PKRIEVTBSA-N -1 0 322.386 1.923 50 0 DDAARM CC(C)(C)OC(=O)NC1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000019894280 182161600 /nfs/dbraw/zinc/16/16/00/182161600.db2.gz SZTHXOJFNXFGLU-UHFFFAOYSA-N -1 0 300.355 1.367 50 0 DDAARM COc1cccc([C@H](C)NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020318462 182206350 /nfs/dbraw/zinc/20/63/50/182206350.db2.gz GHAVBOCRDUYDQL-VIFPVBQESA-N -1 0 303.318 1.618 50 0 DDAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000100621174 193802164 /nfs/dbraw/zinc/80/21/64/193802164.db2.gz NLZLTPPSPXOUHZ-UHFFFAOYSA-N -1 0 310.313 1.769 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCCCO1 ZINC000176827031 304206402 /nfs/dbraw/zinc/20/64/02/304206402.db2.gz UEWCKXSPYNQQKE-HUUCEWRRSA-N -1 0 303.358 1.984 50 0 DDAARM COc1ccccc1CC(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000042290435 183249617 /nfs/dbraw/zinc/24/96/17/183249617.db2.gz UFLRIZGFMUSOSE-UHFFFAOYSA-N -1 0 324.358 1.348 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3ccco3)n2)CCO1 ZINC000043702055 183381905 /nfs/dbraw/zinc/38/19/05/183381905.db2.gz QVBLHSCUJVAKPW-JTQLQIEISA-N -1 0 308.315 1.329 50 0 DDAARM C[C@@H](CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000268912496 207078858 /nfs/dbraw/zinc/07/88/58/207078858.db2.gz ZPQOOZZUQRAZRY-JTQLQIEISA-N -1 0 307.346 1.572 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(Br)c(F)c1 ZINC000268933922 207099209 /nfs/dbraw/zinc/09/92/09/207099209.db2.gz ZPGANOZWYWYSGQ-HTQZYQBOSA-N -1 0 316.126 1.925 50 0 DDAARM O=C1NCc2ccc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc21 ZINC000058497286 184120542 /nfs/dbraw/zinc/12/05/42/184120542.db2.gz JDWKQIRDBIZKSI-UHFFFAOYSA-N -1 0 323.761 1.779 50 0 DDAARM CCCCc1nc([C@H]2CC(=O)Nc3[nH]nc(C(=O)[O-])c32)c[nH]1 ZINC000065380499 184331892 /nfs/dbraw/zinc/33/18/92/184331892.db2.gz CBPDEMAOSSKBFY-SSDOTTSWSA-N -1 0 303.322 1.648 50 0 DDAARM O=C([O-])CSc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 ZINC000065534254 184361840 /nfs/dbraw/zinc/36/18/40/184361840.db2.gz VVLNZOCOBIJHES-UHFFFAOYSA-N -1 0 320.305 1.196 50 0 DDAARM O=C([O-])c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 ZINC000000121493 406623359 /nfs/dbraw/zinc/62/33/59/406623359.db2.gz RBKZNZVRGWSGED-UHFFFAOYSA-N -1 0 323.308 1.733 50 0 DDAARM CCOc1ccc(C(=O)NCCC(=O)NCCCC(=O)[O-])cc1 ZINC000002279303 406683859 /nfs/dbraw/zinc/68/38/59/406683859.db2.gz YETMOEPNAGNRKT-UHFFFAOYSA-N -1 0 322.361 1.186 50 0 DDAARM CCOc1ccc(N[C@H]2SC(=O)N(CCC(=O)[O-])C2=O)cc1 ZINC000002269407 406684841 /nfs/dbraw/zinc/68/48/41/406684841.db2.gz JEHMBDKZBCHLAV-LBPRGKRZSA-N -1 0 324.358 1.993 50 0 DDAARM CC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000002619072 406692878 /nfs/dbraw/zinc/69/28/78/406692878.db2.gz WDHQUIHVUFAJQW-UHFFFAOYSA-N -1 0 311.359 1.375 50 0 DDAARM O=C([O-])CCNS(=O)(=O)c1ccc(Br)s1 ZINC000002927918 406707445 /nfs/dbraw/zinc/70/74/45/406707445.db2.gz HOYOGYSUBWGBCP-UHFFFAOYSA-N -1 0 314.182 1.264 50 0 DDAARM O=S(=O)([N-]c1cc(F)ccc1-n1cccn1)c1cn[nH]c1 ZINC000069813852 406775793 /nfs/dbraw/zinc/77/57/93/406775793.db2.gz MAUARXXSZXDBFM-UHFFFAOYSA-N -1 0 307.310 1.535 50 0 DDAARM CCOc1ccccc1[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 ZINC000008844443 406796888 /nfs/dbraw/zinc/79/68/88/406796888.db2.gz LODWYXBFFGWGMB-SNVBAGLBSA-N -1 0 319.404 1.014 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)cc1OC ZINC000011615637 406829656 /nfs/dbraw/zinc/82/96/56/406829656.db2.gz OMCZXSBUWVGUPA-UHFFFAOYSA-N -1 0 315.376 1.665 50 0 DDAARM COc1ccc(C2(CNC(=O)/C=C/C(=O)[O-])CCOCC2)cc1 ZINC000012902773 406854037 /nfs/dbraw/zinc/85/40/37/406854037.db2.gz UJCMNJXXALKENO-VOTSOKGWSA-N -1 0 319.357 1.500 50 0 DDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000013058936 406858779 /nfs/dbraw/zinc/85/87/79/406858779.db2.gz PXPRXKMNHWPKRE-UHFFFAOYSA-N -1 0 312.297 1.865 50 0 DDAARM Cc1nn(C)c2sc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc12 ZINC000013260846 406861015 /nfs/dbraw/zinc/86/10/15/406861015.db2.gz NPXLPEIZNNOAQL-VIFPVBQESA-N -1 0 307.375 1.880 50 0 DDAARM C[C@H](NS(=O)(=O)c1ccsc1C(=O)[O-])c1ccncc1 ZINC000035126609 406967889 /nfs/dbraw/zinc/96/78/89/406967889.db2.gz KCDSGIMKNIQTGX-QMMMGPOBSA-N -1 0 312.372 1.881 50 0 DDAARM CCC[C@](C)(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)[O-] ZINC000036339974 406979239 /nfs/dbraw/zinc/97/92/39/406979239.db2.gz PBCYKQNFNCIIFK-ZDUSSCGKSA-N -1 0 319.354 1.756 50 0 DDAARM CCC[C@@H]1CN(C(=O)CCc2cc(=O)[n-]o2)C[C@H]1NC(C)=O ZINC000082127941 407080568 /nfs/dbraw/zinc/08/05/68/407080568.db2.gz VQBWSXGCZXRXAN-DGCLKSJQSA-N -1 0 309.366 1.076 50 0 DDAARM O=C([O-])Cn1c2ccccc2n2nc(-c3ccccc3)c(=O)nc12 ZINC000051325933 407139183 /nfs/dbraw/zinc/13/91/83/407139183.db2.gz MQLNBLARPJIEPM-UHFFFAOYSA-N -1 0 320.308 1.796 50 0 DDAARM Cc1noc(C)c1[C@@H](C(=O)[O-])N1CCN(c2cnccn2)CC1 ZINC000095357225 407208230 /nfs/dbraw/zinc/20/82/30/407208230.db2.gz YALDXSGKHSBYNM-AWEZNQCLSA-N -1 0 317.349 1.029 50 0 DDAARM CC(C)c1noc(CN(C)[C@@H](C(=O)[O-])c2ccc(CO)cc2)n1 ZINC000095362212 407209270 /nfs/dbraw/zinc/20/92/70/407209270.db2.gz LYKVEHACUDXESJ-CQSZACIVSA-N -1 0 319.361 1.943 50 0 DDAARM CN(Cc1ccc2nonc2c1)[C@H](C(=O)[O-])c1ccc(N)nc1 ZINC000095379264 407212652 /nfs/dbraw/zinc/21/26/52/407212652.db2.gz KMCZIKIKDMNWES-AWEZNQCLSA-N -1 0 313.317 1.458 50 0 DDAARM Cn1cc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c2ccccc21 ZINC000095522625 407214099 /nfs/dbraw/zinc/21/40/99/407214099.db2.gz WNSJAKGHNUNVSV-OAHLLOKOSA-N -1 0 324.340 1.553 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)COCCOc1ccccc1)C(=O)[O-] ZINC000095969876 407218743 /nfs/dbraw/zinc/21/87/43/407218743.db2.gz UEJLUMQCJNTELM-WFASDCNBSA-N -1 0 309.362 1.698 50 0 DDAARM O=C([O-])CN(C(=O)/C=C/c1cnn(-c2ccccc2)c1)C1CC1 ZINC000095969888 407218850 /nfs/dbraw/zinc/21/88/50/407218850.db2.gz IRWUINLXBXSGJL-RMKNXTFCSA-N -1 0 311.341 1.961 50 0 DDAARM O=C([O-])c1cccnc1NCc1cccnc1N1CCOCC1 ZINC000058404611 407220684 /nfs/dbraw/zinc/22/06/84/407220684.db2.gz ZAYMMVWHDPGRKP-UHFFFAOYSA-N -1 0 314.345 1.624 50 0 DDAARM COc1ccc(CN2C=C(C(=O)[O-])C(C)=NS2(=O)=O)cc1 ZINC000096031993 407224316 /nfs/dbraw/zinc/22/43/16/407224316.db2.gz XCNIAOLLILGZSG-UHFFFAOYSA-N -1 0 310.331 1.185 50 0 DDAARM Cn1ncc2c1[n-]cc(C(=O)Nc1cccc3[nH]cnc31)c2=O ZINC000097080432 407278775 /nfs/dbraw/zinc/27/87/75/407278775.db2.gz SIXXDMDFBFFFFN-UHFFFAOYSA-N -1 0 308.301 1.390 50 0 DDAARM O=C([O-])[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000100744905 407308537 /nfs/dbraw/zinc/30/85/37/407308537.db2.gz UBGPKXCDBYKGFU-PHIMTYICSA-N -1 0 302.330 1.581 50 0 DDAARM Cc1ccc(F)c(OCC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000124598709 407363416 /nfs/dbraw/zinc/36/34/16/407363416.db2.gz BLEYOCVZDOBWOC-SNVBAGLBSA-N -1 0 307.329 1.288 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)c1ccn(-c2ccccc2F)n1 ZINC000195541763 407464749 /nfs/dbraw/zinc/46/47/49/407464749.db2.gz TZNLAJSGBXPKQV-UHFFFAOYSA-N -1 0 305.309 1.948 50 0 DDAARM O=C([O-])CCCCNC(=O)c1ccn(-c2ccccc2F)n1 ZINC000195542042 407465679 /nfs/dbraw/zinc/46/56/79/407465679.db2.gz UKBCPABLMLHMAE-UHFFFAOYSA-N -1 0 305.309 1.996 50 0 DDAARM COC(=O)[C@@]1(F)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000170647855 407462737 /nfs/dbraw/zinc/46/27/37/407462737.db2.gz XALDGJBJJMQXMN-CQSZACIVSA-N -1 0 324.333 1.844 50 0 DDAARM Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000225444716 407584244 /nfs/dbraw/zinc/58/42/44/407584244.db2.gz LZXHWHQWWCMQEN-QMMMGPOBSA-N -1 0 308.725 1.432 50 0 DDAARM COC1(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCC1 ZINC000234583513 407711438 /nfs/dbraw/zinc/71/14/38/407711438.db2.gz AXJWQHPNPPTCDG-GFCCVEGCSA-N -1 0 309.284 1.811 50 0 DDAARM CCO[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262081566 407735587 /nfs/dbraw/zinc/73/55/87/407735587.db2.gz BFCWAANGOFAZEQ-IINYFYTJSA-N -1 0 304.346 1.705 50 0 DDAARM COc1ccc2c(c1)CN(C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)CC2 ZINC000262310124 407794389 /nfs/dbraw/zinc/79/43/89/407794389.db2.gz PPXXBKGFYNBYPZ-UONOGXRCSA-N -1 0 305.330 1.212 50 0 DDAARM CNC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000237153260 407801401 /nfs/dbraw/zinc/80/14/01/407801401.db2.gz BYCZSFPFOUHWQJ-CQSZACIVSA-N -1 0 318.373 1.302 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000237948681 407854756 /nfs/dbraw/zinc/85/47/56/407854756.db2.gz OHLWNGVBRIVCKE-VIFPVBQESA-N -1 0 322.748 1.426 50 0 DDAARM C[C@@H](C(=O)[O-])N(C(=O)CN1Cc2ccccc2C1=O)C1CC1 ZINC000262657140 407892397 /nfs/dbraw/zinc/89/23/97/407892397.db2.gz STVJUHGIGAVNTK-JTQLQIEISA-N -1 0 302.330 1.107 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 ZINC000238198918 407899100 /nfs/dbraw/zinc/89/91/00/407899100.db2.gz NVQUYKDLHSEDSJ-OAHLLOKOSA-N -1 0 303.358 1.881 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)cc3nc[nH]c32)CCO1 ZINC000238197650 407899536 /nfs/dbraw/zinc/89/95/36/407899536.db2.gz QJMXHMQGNBWCPK-SECBINFHSA-N -1 0 307.281 1.018 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCO1 ZINC000238218631 407899623 /nfs/dbraw/zinc/89/96/23/407899623.db2.gz NPXPUMYYBKQPDS-HUUCEWRRSA-N -1 0 316.357 1.849 50 0 DDAARM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cncc(Cl)c2)O1 ZINC000119356422 408049548 /nfs/dbraw/zinc/04/95/48/408049548.db2.gz NIMXJQSGEUNBHM-XVKPBYJWSA-N -1 0 304.755 1.107 50 0 DDAARM Cc1cc(C(=O)[O-])cc(C(=O)NCC(=O)N2CCCCC2)c1 ZINC000263051812 408011770 /nfs/dbraw/zinc/01/17/70/408011770.db2.gz DZKVQVJQCOANKK-UHFFFAOYSA-N -1 0 304.346 1.436 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000263563793 408174861 /nfs/dbraw/zinc/17/48/61/408174861.db2.gz ULYBOMHRGWTXKK-KWQFWETISA-N -1 0 310.737 1.282 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2coc(Br)c2)CCO1 ZINC000269030646 408225311 /nfs/dbraw/zinc/22/53/11/408225311.db2.gz MIOVFBUOBGJWPP-MRVPVSSYSA-N -1 0 318.123 1.358 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2c1 ZINC000263218647 163932717 /nfs/dbraw/zinc/93/27/17/163932717.db2.gz YGVUGZGGBPDSPK-ZDUSSCGKSA-N -1 0 304.302 1.102 50 0 DDAARM Cc1cnccc1CCNC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263353179 163955372 /nfs/dbraw/zinc/95/53/72/163955372.db2.gz QGTGCNBVGNXIOH-FZMZJTMJSA-N -1 0 305.378 1.685 50 0 DDAARM CNC(=O)c1cccc(CCC(=O)N2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000263381266 163959621 /nfs/dbraw/zinc/95/96/21/163959621.db2.gz BLMAWRSBJLHOHT-KRWDZBQOSA-N -1 0 318.373 1.445 50 0 DDAARM O=C([O-])[C@H]1Cc2nc(NC(=O)c3ccoc3)sc2C(=O)C1 ZINC000299769468 410614191 /nfs/dbraw/zinc/61/41/91/410614191.db2.gz NIQNROHXGOBRPC-ZETCQYMHSA-N -1 0 306.299 1.818 50 0 DDAARM CC(C)n1cccc1C(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000299791903 410631157 /nfs/dbraw/zinc/63/11/57/410631157.db2.gz GBQMJXMOVBJKBI-ZDUSSCGKSA-N -1 0 302.334 1.444 50 0 DDAARM CCCc1nnc(N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)s1 ZINC000299796929 410635357 /nfs/dbraw/zinc/63/53/57/410635357.db2.gz OHXXCTQBAUICSK-DTWKUNHWSA-N -1 0 322.394 1.303 50 0 DDAARM CC(C)(C)c1nc(C(=O)Nc2cnn(CC(=O)[O-])c2)cs1 ZINC000647744602 423027149 /nfs/dbraw/zinc/02/71/49/423027149.db2.gz GPUNRKOFPPBYET-UHFFFAOYSA-N -1 0 308.363 1.974 50 0 DDAARM Cc1cccc(O[C@@H](C)C(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC000647781013 423044919 /nfs/dbraw/zinc/04/49/19/423044919.db2.gz XVMJPDVHFWIWMA-JTQLQIEISA-N -1 0 304.306 1.077 50 0 DDAARM COc1ccccc1NCc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000101803437 418494563 /nfs/dbraw/zinc/49/45/63/418494563.db2.gz WAOJADOLWOYIKB-UHFFFAOYSA-N -1 0 311.345 1.527 50 0 DDAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N[C@H](C)C(F)(F)F)c1 ZINC000426478173 419482002 /nfs/dbraw/zinc/48/20/02/419482002.db2.gz UZFAJLVWXMHESY-SSDOTTSWSA-N -1 0 320.267 1.808 50 0 DDAARM CC(C)[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000268881697 279931938 /nfs/dbraw/zinc/93/19/38/279931938.db2.gz DTZYNQZYJBAZDY-SBJJXXPASA-N -1 0 316.357 1.381 50 0 DDAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C)c(OC)c1OC ZINC000062715979 295252889 /nfs/dbraw/zinc/25/28/89/295252889.db2.gz NGSHHQFBVBUOOQ-SKDRFNHKSA-N -1 0 309.318 1.316 50 0 DDAARM Cn1cc(-n2c(=O)c3ccccc3[nH]c2=S)c(C(=O)[O-])n1 ZINC000008417793 302903825 /nfs/dbraw/zinc/90/38/25/302903825.db2.gz UWDUUBXZCVPGSK-UHFFFAOYSA-N -1 0 302.315 1.106 50 0 DDAARM Cc1cc(C)cc(N(CCC(=O)[O-])S(=O)(=O)c2c[nH]cn2)c1 ZINC000547898928 303558903 /nfs/dbraw/zinc/55/89/03/303558903.db2.gz VJEAJOYTLBDGJF-UHFFFAOYSA-N -1 0 323.374 1.697 50 0 DDAARM COc1ccc(C)cc1/C=C\C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000388199987 325769762 /nfs/dbraw/zinc/76/97/62/325769762.db2.gz SNZPVJJJUIAZJY-RYWCDNDXSA-N -1 0 305.330 1.329 50 0 DDAARM CCc1cccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c1 ZINC000071405404 337366901 /nfs/dbraw/zinc/36/69/01/337366901.db2.gz VOHKJRNEFQPWMI-UHFFFAOYSA-N -1 0 306.347 1.164 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2cc3ccccc3o2)CCO1 ZINC000492178917 534524905 /nfs/dbraw/zinc/52/49/05/534524905.db2.gz FYGXWGUUPABVDD-GXMNPTEKSA-N -1 0 301.298 1.758 50 0 DDAARM C[C@](O)(CNC(=O)c1csc(Br)c1)C(=O)[O-] ZINC000085231514 696562485 /nfs/dbraw/zinc/56/24/85/696562485.db2.gz HSKCHDNPDUGTMY-VIFPVBQESA-N -1 0 308.153 1.076 50 0 DDAARM COCCN(CCOC)C(=O)c1ccsc1CC(=O)[O-] ZINC000379123251 699057853 /nfs/dbraw/zinc/05/78/53/699057853.db2.gz MPKBEHGDCKTBNI-UHFFFAOYSA-N -1 0 301.364 1.110 50 0 DDAARM CNC(=O)c1cccnc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000585129214 771961239 /nfs/dbraw/zinc/96/12/39/771961239.db2.gz BSCXZMIRWXUVNG-UHFFFAOYSA-N -1 0 323.378 1.019 50 0 DDAARM Cc1nc(C(C)C)sc1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000095510723 185376141 /nfs/dbraw/zinc/37/61/41/185376141.db2.gz MRFOXZMFRHCWDN-SNVBAGLBSA-N -1 0 322.390 1.724 50 0 DDAARM CC(C)(O)CO[N-]C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000278646792 214299868 /nfs/dbraw/zinc/29/98/68/214299868.db2.gz OHSHWXUJDCLMPX-UHFFFAOYSA-N -1 0 322.405 1.533 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCO1 ZINC000328595040 231236706 /nfs/dbraw/zinc/23/67/06/231236706.db2.gz JBKNHUMKTGOQOA-LBPRGKRZSA-N -1 0 308.721 1.747 50 0 DDAARM Cc1cnc(NC[C@](C)(O)C(=O)[O-])nc1-c1ccccc1F ZINC000263539842 539276194 /nfs/dbraw/zinc/27/61/94/539276194.db2.gz BWJWCJSYAREULK-HNNXBMFYSA-N -1 0 305.309 1.839 50 0 DDAARM CCC[C@H](NC(=O)c1cc(-n2cccn2)ccn1)c1nnn[n-]1 ZINC000089949631 185271066 /nfs/dbraw/zinc/27/10/66/185271066.db2.gz MRJOUZKKMAVCGQ-NSHDSACASA-N -1 0 312.337 1.052 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1 ZINC000090607750 185306572 /nfs/dbraw/zinc/30/65/72/185306572.db2.gz WEPUDVDNNQYKLR-UHFFFAOYSA-N -1 0 323.330 1.057 50 0 DDAARM Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000095399191 185353654 /nfs/dbraw/zinc/35/36/54/185353654.db2.gz KBZBHWMYTDVFIN-LLVKDONJSA-N -1 0 303.309 1.663 50 0 DDAARM C[C@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])n1cccn1 ZINC000095463999 185371383 /nfs/dbraw/zinc/37/13/83/185371383.db2.gz NLCIEIUVSLLCOB-ZWNOBZJWSA-N -1 0 305.309 1.395 50 0 DDAARM O=C(C=C1CCCC1)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940499 539564760 /nfs/dbraw/zinc/56/47/60/539564760.db2.gz MZHIZANFNKEUON-XQQFMLRXSA-N -1 0 304.350 1.299 50 0 DDAARM Cn1nnc(-c2ccccc2NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071285075 190953385 /nfs/dbraw/zinc/95/33/85/190953385.db2.gz DTXISFHMFABOBH-MNOVXSKESA-N -1 0 315.333 1.172 50 0 DDAARM O=C([O-])c1cc(-c2cn[nH]c2)cc(S(=O)(=O)NC2CC2)c1 ZINC000071755039 191025152 /nfs/dbraw/zinc/02/51/52/191025152.db2.gz ZGVAIFOUIJDXDX-UHFFFAOYSA-N -1 0 307.331 1.216 50 0 DDAARM Cc1nccn1-c1cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c1 ZINC000072154774 191058937 /nfs/dbraw/zinc/05/89/37/191058937.db2.gz AWLWJTKMLYPETI-UHFFFAOYSA-N -1 0 323.374 1.566 50 0 DDAARM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3cnn(C)c3)ccc21 ZINC000225615367 186283642 /nfs/dbraw/zinc/28/36/42/186283642.db2.gz DJVRVDJSJFGQTD-UHFFFAOYSA-N -1 0 320.374 1.130 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237457689 186292311 /nfs/dbraw/zinc/29/23/11/186292311.db2.gz ZXQIBMURVJONNL-QLJPJBMISA-N -1 0 307.394 1.539 50 0 DDAARM Cc1c(C(=O)OC(C)C)sc2ncn(CC(=O)[O-])c(=O)c12 ZINC000001944807 180903482 /nfs/dbraw/zinc/90/34/82/180903482.db2.gz JSQCBVJDFHOEJZ-UHFFFAOYSA-N -1 0 310.331 1.416 50 0 DDAARM O=C([O-])CN(CC1CC1)C(=O)c1coc(Br)c1 ZINC000097228612 353918176 /nfs/dbraw/zinc/91/81/76/353918176.db2.gz WXQSGXWTHOODGZ-UHFFFAOYSA-N -1 0 302.124 1.979 50 0 DDAARM Cc1nc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cn1C ZINC000004297058 181094485 /nfs/dbraw/zinc/09/44/85/181094485.db2.gz WJHQJVWYQRZRCX-UHFFFAOYSA-N -1 0 309.347 1.301 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000158497650 354230460 /nfs/dbraw/zinc/23/04/60/354230460.db2.gz YPERUAKYDVUJGN-ZIAGYGMSSA-N -1 0 320.320 1.784 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)[nH]n1 ZINC000236881497 202050136 /nfs/dbraw/zinc/05/01/36/202050136.db2.gz SZEJEPQVGNAQBC-LLVKDONJSA-N -1 0 309.366 1.629 50 0 DDAARM CC(=O)N(C)CC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237048355 202134181 /nfs/dbraw/zinc/13/41/81/202134181.db2.gz NIISLXLWGNOCPI-UHFFFAOYSA-N -1 0 318.373 1.110 50 0 DDAARM O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000238190713 304069248 /nfs/dbraw/zinc/06/92/48/304069248.db2.gz KVQZBYHVJLSPRA-BDAKNGLRSA-N -1 0 303.236 1.890 50 0 DDAARM C[C@@H](CN(C)C(=O)c1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000237415581 202259242 /nfs/dbraw/zinc/25/92/42/202259242.db2.gz SLNXUUDCFPWTHU-LBPRGKRZSA-N -1 0 318.373 1.602 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237433391 202263261 /nfs/dbraw/zinc/26/32/61/202263261.db2.gz GNNRJODWCWLTAD-JTQLQIEISA-N -1 0 307.394 1.681 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CSc3ccccc32)CCO1 ZINC000092238031 304084365 /nfs/dbraw/zinc/08/43/65/304084365.db2.gz YEJWEUMPRNWQRT-JQWIXIFHSA-N -1 0 307.371 1.578 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 ZINC000269047505 304084076 /nfs/dbraw/zinc/08/40/76/304084076.db2.gz UDGLTSGXAZTJCK-WCQYABFASA-N -1 0 305.330 1.255 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237681698 202326626 /nfs/dbraw/zinc/32/66/26/202326626.db2.gz JEHSXJFWUZTWOC-ZDUSSCGKSA-N -1 0 307.394 1.825 50 0 DDAARM CCOC(=O)c1ccccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000006737273 181379853 /nfs/dbraw/zinc/37/98/53/181379853.db2.gz SFFPQAWXAZSPDO-UHFFFAOYSA-N -1 0 315.285 1.604 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)N2CCOCC2)C1 ZINC000091616437 193079937 /nfs/dbraw/zinc/07/99/37/193079937.db2.gz NQIXHOBLUILERV-OAHLLOKOSA-N -1 0 314.382 1.032 50 0 DDAARM COCc1cccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262367286 203275075 /nfs/dbraw/zinc/27/50/75/203275075.db2.gz DWIIJILWJYXYKZ-CYBMUJFWSA-N -1 0 313.375 1.461 50 0 DDAARM COc1cc(NC(=O)C2(C(=O)[O-])CC2)ccc1N1CCCC1=O ZINC000262318282 203259010 /nfs/dbraw/zinc/25/90/10/203259010.db2.gz PYWCSWYYTZQSEY-UHFFFAOYSA-N -1 0 318.329 1.625 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC000262978244 203423246 /nfs/dbraw/zinc/42/32/46/203423246.db2.gz KLKPHBRZGOHDDF-MRXNPFEDSA-N -1 0 323.393 1.411 50 0 DDAARM CCOc1ccc(CCNc2nc(=O)c(C)n[n-]2)cc1OCC ZINC000096341512 193613911 /nfs/dbraw/zinc/61/39/11/193613911.db2.gz QVMXYHAQUYIYPE-UHFFFAOYSA-N -1 0 318.377 1.925 50 0 DDAARM COc1cc2c(cc1OC)CN(C(=O)N[C@@H](C)C(=O)[O-])CC2 ZINC000008764609 181584250 /nfs/dbraw/zinc/58/42/50/181584250.db2.gz PDJKURNKHFKACB-VIFPVBQESA-N -1 0 308.334 1.245 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000013341442 181845364 /nfs/dbraw/zinc/84/53/64/181845364.db2.gz YYHGHQYXIHEBOT-NSHDSACASA-N -1 0 305.302 1.593 50 0 DDAARM Cc1nc(-c2cc(-c3nn(CC(=O)[O-])c(=O)o3)no2)cs1 ZINC000040448176 183068619 /nfs/dbraw/zinc/06/86/19/183068619.db2.gz UQJJYZZFCKPRPD-UHFFFAOYSA-N -1 0 308.275 1.008 50 0 DDAARM CCc1ccc(-c2noc(CCC(=O)[N-]S(C)(=O)=O)n2)cc1 ZINC000040543978 183099207 /nfs/dbraw/zinc/09/92/07/183099207.db2.gz VVJCHLBEPCXXGR-UHFFFAOYSA-N -1 0 323.374 1.307 50 0 DDAARM CCc1ccccc1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000041670280 183214319 /nfs/dbraw/zinc/21/43/19/183214319.db2.gz HYLXNMQXLYXKPX-UHFFFAOYSA-N -1 0 300.314 1.748 50 0 DDAARM CCOc1ccc(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000268938976 207102952 /nfs/dbraw/zinc/10/29/52/207102952.db2.gz DGLRRLOMHDAKHP-HNNXBMFYSA-N -1 0 321.373 1.720 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000268973341 207134356 /nfs/dbraw/zinc/13/43/56/207134356.db2.gz IIZHZQVPUJWUBH-GFCCVEGCSA-N -1 0 302.286 1.267 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1coc(-c2cccs2)n1 ZINC000268994995 207151117 /nfs/dbraw/zinc/15/11/17/207151117.db2.gz VBXAHLRKFRSUKU-SNVBAGLBSA-N -1 0 322.342 1.258 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2CN2CCCC2=O)C1 ZINC000065403303 184337518 /nfs/dbraw/zinc/33/75/18/184337518.db2.gz UUYUPAXYNNFRTB-CQSZACIVSA-N -1 0 316.357 1.242 50 0 DDAARM Cc1c([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])cnn1C ZINC000399822006 257235222 /nfs/dbraw/zinc/23/52/22/257235222.db2.gz WYINRPPTGKQCGA-NWDGAFQWSA-N -1 0 309.366 1.764 50 0 DDAARM Cc1nnc2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cn12 ZINC000071795782 184843759 /nfs/dbraw/zinc/84/37/59/184843759.db2.gz MDGRNUOVFWMWAS-UHFFFAOYSA-N -1 0 302.334 1.555 50 0 DDAARM COc1cc2c(cc1OC)[C@@H](O)C[C@H]2[N-]C(=O)C(F)(F)F ZINC000001394839 286259825 /nfs/dbraw/zinc/25/98/25/286259825.db2.gz JISVZQDTSKRCPM-BDAKNGLRSA-N -1 0 305.252 1.861 50 0 DDAARM COc1cc(Br)cc(/C=C2/NC(=O)[N-]C2=O)c1O ZINC000000072244 406618220 /nfs/dbraw/zinc/61/82/20/406618220.db2.gz KLHWKHGRGPUWOG-XVNBXDOJSA-N -1 0 313.107 1.344 50 0 DDAARM COc1ccc(C[C@H](NC(C)=O)C(=O)[O-])c(Cl)c1OC ZINC000000128311 406622324 /nfs/dbraw/zinc/62/23/24/406622324.db2.gz VRBOHZZWHWHPEB-VIFPVBQESA-N -1 0 301.726 1.489 50 0 DDAARM COc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-] ZINC000000167791 406626003 /nfs/dbraw/zinc/62/60/03/406626003.db2.gz GOACRCLOBLTSKA-UHFFFAOYSA-N -1 0 311.315 1.465 50 0 DDAARM CCN1CCN(C(=O)Cc2c3ccccc3[nH]c2C(=O)[O-])CC1 ZINC000000211827 406632386 /nfs/dbraw/zinc/63/23/86/406632386.db2.gz ZWDDGDDJHHFQHI-UHFFFAOYSA-N -1 0 315.373 1.573 50 0 DDAARM COc1ccc(Cc2nnc(NCc3ccco3)[n-]c2=O)cc1 ZINC000002718693 406696919 /nfs/dbraw/zinc/69/69/19/406696919.db2.gz LTXBYOOUFAAQFF-UHFFFAOYSA-N -1 0 312.329 1.969 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccoc2C)cc1 ZINC000002794917 406701855 /nfs/dbraw/zinc/70/18/55/406701855.db2.gz OQYCPSVIAFSSMY-UHFFFAOYSA-N -1 0 322.342 1.665 50 0 DDAARM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000000258416 406637948 /nfs/dbraw/zinc/63/79/48/406637948.db2.gz OSSGQNUAICDPKJ-SECBINFHSA-N -1 0 301.339 1.945 50 0 DDAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)NCc2cccnc2)cc1 ZINC000000381353 406644942 /nfs/dbraw/zinc/64/49/42/406644942.db2.gz IEYOYWYBGKPYMJ-VMPITWQZSA-N -1 0 318.354 1.658 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000006566109 406737848 /nfs/dbraw/zinc/73/78/48/406737848.db2.gz IEMGTWXFCBVWDG-OCCSQVGLSA-N -1 0 321.354 1.048 50 0 DDAARM CNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000007779723 406767810 /nfs/dbraw/zinc/76/78/10/406767810.db2.gz NGFJUFZFLGZIBA-QWRGUYRKSA-N -1 0 302.330 1.652 50 0 DDAARM COCCCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000003043422 406710199 /nfs/dbraw/zinc/71/01/99/406710199.db2.gz DWLZHXKVHNQDQD-UHFFFAOYSA-N -1 0 307.375 1.212 50 0 DDAARM Nc1nnc(SCC(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000008391393 406786268 /nfs/dbraw/zinc/78/62/68/406786268.db2.gz AOLILLREEAVBSY-UHFFFAOYSA-N -1 0 310.360 1.549 50 0 DDAARM C[C@@]12CCC(=O)N1[C@H](C(=O)[N-]OCc1ccccc1)CS2 ZINC000025286517 406895597 /nfs/dbraw/zinc/89/55/97/406895597.db2.gz ONAVIPQHPCMDES-SWLSCSKDSA-N -1 0 306.387 1.688 50 0 DDAARM CC(C)(C)c1n[n-]c(N2CCN(c3ccccc3)CC2)nc1=O ZINC000041604469 407009569 /nfs/dbraw/zinc/00/95/69/407009569.db2.gz JQQPQULLIXLPPS-UHFFFAOYSA-N -1 0 313.405 1.789 50 0 DDAARM CCCc1ccc(S(=O)(=O)[N-]c2c(C)[nH]nc2C(N)=O)cc1 ZINC000078601485 407035769 /nfs/dbraw/zinc/03/57/69/407035769.db2.gz SMTIETDZZSFHHA-UHFFFAOYSA-N -1 0 322.390 1.570 50 0 DDAARM CN1CC[C@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)C1=O ZINC000080029627 407069989 /nfs/dbraw/zinc/06/99/89/407069989.db2.gz LXEDWMPHMAUHEP-QMMMGPOBSA-N -1 0 303.145 1.660 50 0 DDAARM CN(C[C@@H](O)C1CC1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000089880342 407155221 /nfs/dbraw/zinc/15/52/21/407155221.db2.gz VGRIUMRKRUTOPG-GFCCVEGCSA-N -1 0 319.386 1.841 50 0 DDAARM CSCCC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095529139 407214461 /nfs/dbraw/zinc/21/44/61/407214461.db2.gz DJOCNCNRYSNRJF-MLGOLLRUSA-N -1 0 321.398 1.829 50 0 DDAARM Cc1nccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)n1 ZINC000095944125 407216081 /nfs/dbraw/zinc/21/60/81/407216081.db2.gz VIXACDVYDXVRST-VIFPVBQESA-N -1 0 305.359 1.909 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095956985 407217295 /nfs/dbraw/zinc/21/72/95/407217295.db2.gz KETVPZVPKNLXQN-UHFFFAOYSA-N -1 0 324.358 1.567 50 0 DDAARM COc1ccc([C@H](C)NC(=O)Cc2cc(=O)[nH][n-]c2=O)cc1F ZINC000067460287 407274909 /nfs/dbraw/zinc/27/49/09/407274909.db2.gz YIYSWXKQBKHGEW-QMMMGPOBSA-N -1 0 321.308 1.043 50 0 DDAARM Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000122345207 407298446 /nfs/dbraw/zinc/29/84/46/407298446.db2.gz AGRGNDDYIJAELH-UHFFFAOYSA-N -1 0 322.180 1.706 50 0 DDAARM O=C([N-]S(=O)(=O)CCOc1ccccc1)c1cccnc1 ZINC000170646053 407463675 /nfs/dbraw/zinc/46/36/75/407463675.db2.gz CCNNYLJZSIYGBG-UHFFFAOYSA-N -1 0 306.343 1.220 50 0 DDAARM CSCC[C@@H](NC(=O)Cc1ccc2c(c1)CCO2)C(=O)[O-] ZINC000253535973 407453366 /nfs/dbraw/zinc/45/33/66/407453366.db2.gz ZVGACXHTMFKLII-GFCCVEGCSA-N -1 0 309.387 1.487 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000170811561 407515804 /nfs/dbraw/zinc/51/58/04/407515804.db2.gz CCYAPQDPMDZYIO-INIZCTEOSA-N -1 0 300.314 1.877 50 0 DDAARM CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1(C)C ZINC000152293988 407604783 /nfs/dbraw/zinc/60/47/83/407604783.db2.gz DSVMKEVGKJRIHJ-CMPLNLGQSA-N -1 0 309.391 1.520 50 0 DDAARM COc1ccc(CCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000129393298 407610102 /nfs/dbraw/zinc/61/01/02/407610102.db2.gz YLMAWNAEYXMAJD-ZDUSSCGKSA-N -1 0 315.377 1.547 50 0 DDAARM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000236574173 407727006 /nfs/dbraw/zinc/72/70/06/407727006.db2.gz OOHYQHJCSCBNLQ-FRRDWIJNSA-N -1 0 324.421 1.783 50 0 DDAARM CC(C)(C)c1noc(CCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000236659345 407741548 /nfs/dbraw/zinc/74/15/48/407741548.db2.gz XWLAINAGEGYXJJ-OAHLLOKOSA-N -1 0 309.366 1.623 50 0 DDAARM COC[C@@](C)(NC(=O)c1ccc(-n2ccc(C)n2)cc1)C(=O)[O-] ZINC000262178383 407759990 /nfs/dbraw/zinc/75/99/90/407759990.db2.gz XFUHZMRTNUVJTH-MRXNPFEDSA-N -1 0 317.345 1.400 50 0 DDAARM Cc1cccc2c(CCC(=O)N3CCO[C@H](C(=O)[O-])C3)c[nH]c21 ZINC000237760467 407841334 /nfs/dbraw/zinc/84/13/34/407841334.db2.gz BCBKTOZGDOKALR-AWEZNQCLSA-N -1 0 316.357 1.721 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 ZINC000237958238 407857936 /nfs/dbraw/zinc/85/79/36/407857936.db2.gz OHLWNGVBRIVCKE-SECBINFHSA-N -1 0 322.748 1.426 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC000238195873 407898475 /nfs/dbraw/zinc/89/84/75/407898475.db2.gz KAOUXMPHCIRADZ-GFCCVEGCSA-N -1 0 320.320 1.552 50 0 DDAARM Cc1nn(C)c2ncc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc12 ZINC000237841467 407844332 /nfs/dbraw/zinc/84/43/32/407844332.db2.gz CUOMIQDFMSKHNX-GFCCVEGCSA-N -1 0 302.334 1.356 50 0 DDAARM C[C@@H](NC(=O)c1ccc(NC(=O)[C@]2(C)CCCO2)cc1)C(=O)[O-] ZINC000262818049 407945659 /nfs/dbraw/zinc/94/56/59/407945659.db2.gz AHJUADACDCJPEI-HWPZZCPQSA-N -1 0 320.345 1.397 50 0 DDAARM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000241965755 407913821 /nfs/dbraw/zinc/91/38/21/407913821.db2.gz UVJGUJUZJSWLNH-BPCQOVAHSA-N -1 0 324.421 1.783 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCCc1nc(C2CC2)no1 ZINC000136478111 408108129 /nfs/dbraw/zinc/10/81/29/408108129.db2.gz XXGBLWQRGVDEJR-NSHDSACASA-N -1 0 307.350 1.735 50 0 DDAARM Cc1cccc(-n2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)nn2)c1 ZINC000263364977 408119210 /nfs/dbraw/zinc/11/92/10/408119210.db2.gz ZOJCJVNORBGLGP-PHIMTYICSA-N -1 0 300.318 1.169 50 0 DDAARM CCCN(C)S(=O)(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC000268799171 408198802 /nfs/dbraw/zinc/19/88/02/408198802.db2.gz XTCYEMAIIFWLFQ-UHFFFAOYSA-N -1 0 300.380 1.946 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1c[nH]c2ncccc12 ZINC000192415691 408584870 /nfs/dbraw/zinc/58/48/70/408584870.db2.gz MHTURWWNOUTTKA-HNNXBMFYSA-N -1 0 323.352 1.918 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000248844710 408646083 /nfs/dbraw/zinc/64/60/83/408646083.db2.gz AFQLWBMCGLYSDH-UTUOFQBUSA-N -1 0 322.748 1.282 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cn(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193027001 408685795 /nfs/dbraw/zinc/68/57/95/408685795.db2.gz STWZGKVVWPEJCL-IAQYHMDHSA-N -1 0 309.366 1.117 50 0 DDAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccc(F)cc1 ZINC000041605940 286961208 /nfs/dbraw/zinc/96/12/08/286961208.db2.gz GTZDDLZZFRAYLG-SECBINFHSA-N -1 0 324.337 1.519 50 0 DDAARM CCc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccccn1 ZINC000178260833 408795361 /nfs/dbraw/zinc/79/53/61/408795361.db2.gz QXZNPPFEAXBJNG-LLVKDONJSA-N -1 0 314.345 1.376 50 0 DDAARM CNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000177995260 408751818 /nfs/dbraw/zinc/75/18/18/408751818.db2.gz LFULUJFLHVPBGN-PPGNKHEKSA-N -1 0 302.330 1.135 50 0 DDAARM CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000177995286 408752841 /nfs/dbraw/zinc/75/28/41/408752841.db2.gz UXNOQQJPLXCOJN-ZDUSSCGKSA-N -1 0 304.346 1.054 50 0 DDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000263216301 163932299 /nfs/dbraw/zinc/93/22/99/163932299.db2.gz OEVKPSYXKGPLNS-NWDGAFQWSA-N -1 0 314.345 1.593 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000299743840 410604009 /nfs/dbraw/zinc/60/40/09/410604009.db2.gz MPCOLDHMPARZFL-AWEZNQCLSA-N -1 0 322.336 1.352 50 0 DDAARM Cc1n[nH]c(CN2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)c1Cl ZINC000299788480 410627325 /nfs/dbraw/zinc/62/73/25/410627325.db2.gz PPWZYLFQSWKOPI-DTWKUNHWSA-N -1 0 324.772 1.180 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000040287833 418416485 /nfs/dbraw/zinc/41/64/85/418416485.db2.gz WZHPOCIXPSCJNG-UHFFFAOYSA-N -1 0 313.404 2.428 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)cc3cccnc32)CCO1 ZINC000178281228 221861924 /nfs/dbraw/zinc/86/19/24/221861924.db2.gz GMKDAYPNJVQZDB-GFCCVEGCSA-N -1 0 320.732 1.814 50 0 DDAARM NC(=O)[C@H]1CCC[C@@H](n2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000120712728 418504317 /nfs/dbraw/zinc/50/43/17/418504317.db2.gz HZWYMKWXQULWIA-VHSXEESVSA-N -1 0 303.387 1.902 50 0 DDAARM O=C(NCc1n[nH]c(=O)[n-]1)NCC1(c2ccccc2)CCCC1 ZINC000426723810 419538306 /nfs/dbraw/zinc/53/83/06/419538306.db2.gz ARMDQZLFLVGMMX-UHFFFAOYSA-N -1 0 315.377 1.822 50 0 DDAARM Cc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])n1C(F)F ZINC000426510854 419494856 /nfs/dbraw/zinc/49/48/56/419494856.db2.gz PHSGPKMBXDCSRI-VIFPVBQESA-N -1 0 312.276 1.340 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000426518937 419495135 /nfs/dbraw/zinc/49/51/35/419495135.db2.gz JBXZFVKAPLHZEA-AWEZNQCLSA-N -1 0 305.330 1.644 50 0 DDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CCn2cc(Cl)cn2)C1 ZINC000630191948 421948743 /nfs/dbraw/zinc/94/87/43/421948743.db2.gz VVFLFSGNVYDJTH-WDEREUQCSA-N -1 0 315.757 1.017 50 0 DDAARM COCc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1F ZINC000583650577 422210184 /nfs/dbraw/zinc/21/01/84/422210184.db2.gz LRSJCHMDWBEMLY-GFCCVEGCSA-N -1 0 311.309 1.288 50 0 DDAARM CCO/C=C\[C@@](O)(CN=c1nc(CC)[n-]s1)C(F)(F)F ZINC000606444206 422458934 /nfs/dbraw/zinc/45/89/34/422458934.db2.gz SRAJSVLPOHQUJC-WWQCOOJYSA-N -1 0 311.329 1.778 50 0 DDAARM Cn1nccc1[C@@H]1COCCN1Cc1cccc(C(=O)[O-])c1 ZINC000650513860 423185120 /nfs/dbraw/zinc/18/51/20/423185120.db2.gz LRFKPSBEPSHTLV-HNNXBMFYSA-N -1 0 301.346 1.692 50 0 DDAARM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000037584897 279425446 /nfs/dbraw/zinc/42/54/46/279425446.db2.gz BIPWLDYBYNIPQY-UHFFFAOYSA-N -1 0 313.375 1.415 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3O)c1 ZINC000426615406 294945293 /nfs/dbraw/zinc/94/52/93/294945293.db2.gz IESSKBIPMYGVTK-MSRIBSCDSA-N -1 0 305.330 1.236 50 0 DDAARM COc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000263516922 295136159 /nfs/dbraw/zinc/13/61/59/295136159.db2.gz FBXAHFUXDIDWME-DGCLKSJQSA-N -1 0 321.373 1.958 50 0 DDAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(C)Cc1cnn(C)c1 ZINC000095379739 295151928 /nfs/dbraw/zinc/15/19/28/295151928.db2.gz VPJXSVIUEXJDQU-AWEZNQCLSA-N -1 0 307.325 1.826 50 0 DDAARM COc1cccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1OC ZINC000299746871 295283164 /nfs/dbraw/zinc/28/31/64/295283164.db2.gz BMKLOBYZHIUBJK-UHFFFAOYSA-N -1 0 323.345 1.410 50 0 DDAARM COc1ccccc1N1CC[C@H](N2CCCC[C@@H]2C(=O)[O-])C1=O ZINC000262249303 295370146 /nfs/dbraw/zinc/37/01/46/295370146.db2.gz CYOXPFZAHWDMKY-UONOGXRCSA-N -1 0 318.373 1.740 50 0 DDAARM Cc1cc(C)n(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000237655983 301237880 /nfs/dbraw/zinc/23/78/80/301237880.db2.gz LGAVBQFPKWPNIG-IHRRRGAJSA-N -1 0 305.378 1.744 50 0 DDAARM Cc1ccn2cc(CN3CCc4nc[nH]c4[C@H]3C(=O)[O-])nc2c1 ZINC000095366915 302263151 /nfs/dbraw/zinc/26/31/51/302263151.db2.gz AXMSBVPTCREUEY-HNNXBMFYSA-N -1 0 311.345 1.550 50 0 DDAARM Cn1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1=O ZINC000263885714 302950988 /nfs/dbraw/zinc/95/09/88/302950988.db2.gz HWHSJPUUSCPCIW-RTXFEEFZSA-N -1 0 304.346 1.243 50 0 DDAARM C[C@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000583934702 331475042 /nfs/dbraw/zinc/47/50/42/331475042.db2.gz RTHVTHCCGFWGGI-SWLSCSKDSA-N -1 0 318.373 1.178 50 0 DDAARM Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ncn(CC(=O)[O-])n2)cc1C ZINC000663337073 484814978 /nfs/dbraw/zinc/81/49/78/484814978.db2.gz JSKMVUPELRXJQN-QWHCGFSZSA-N -1 0 314.345 1.722 50 0 DDAARM Cc1cc(C)n(CCCN(C)C(=O)N[C@H](C(=O)[O-])C2CC2)n1 ZINC000670444029 484832931 /nfs/dbraw/zinc/83/29/31/484832931.db2.gz XUGBRYWVGMKZBQ-ZDUSSCGKSA-N -1 0 308.382 1.395 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)COc1cccc(C)c1)C(=O)[O-] ZINC000067458946 696361694 /nfs/dbraw/zinc/36/16/94/696361694.db2.gz MMBQPOSRDASDOL-HNNXBMFYSA-N -1 0 317.345 1.656 50 0 DDAARM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1nc(-c2ccccc2)no1 ZINC000822284887 758197971 /nfs/dbraw/zinc/19/79/71/758197971.db2.gz IPLCSVMIMMYXHQ-SSDOTTSWSA-N -1 0 300.278 1.051 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1F ZINC000584908073 771884364 /nfs/dbraw/zinc/88/43/64/771884364.db2.gz AIQBXQCXSJSAJN-OBIHZWKSSA-N -1 0 307.321 1.931 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)C[C@@H](C)O1 ZINC000585138023 771966586 /nfs/dbraw/zinc/96/65/86/771966586.db2.gz IIPIMWZAZCCREV-RKDXNWHRSA-N -1 0 317.338 1.322 50 0 DDAARM CN(C)[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000095503495 185375296 /nfs/dbraw/zinc/37/52/96/185375296.db2.gz ROBFDCRJNGFPFK-ZDUSSCGKSA-N -1 0 308.353 1.942 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnn(-c2cccnc2)c1 ZINC000262662521 539275828 /nfs/dbraw/zinc/27/58/28/539275828.db2.gz MFLXPPNBSAFGLW-CYBMUJFWSA-N -1 0 300.318 1.347 50 0 DDAARM CC(C)COCCC(=O)Nc1cccc(C(=O)NCC(=O)[O-])c1 ZINC000095389900 185351345 /nfs/dbraw/zinc/35/13/45/185351345.db2.gz DZTDEUMZJCFFPN-UHFFFAOYSA-N -1 0 322.361 1.502 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000095463535 185371333 /nfs/dbraw/zinc/37/13/33/185371333.db2.gz ISYCPDSPKQASTF-UHFFFAOYSA-N -1 0 317.345 1.430 50 0 DDAARM Cc1ccc(-n2c(C)cc(=O)n(CCC(=O)[O-])c2=O)c(C)c1 ZINC000095470845 185372535 /nfs/dbraw/zinc/37/25/35/185372535.db2.gz KMDPWVKQGJCEJB-UHFFFAOYSA-N -1 0 302.330 1.399 50 0 DDAARM CCOC(=O)N=c1[n-]nc(S(=O)(=O)CCOC(C)C)s1 ZINC000097101242 185409611 /nfs/dbraw/zinc/40/96/11/185409611.db2.gz LBSZBMCPOZCTFW-UHFFFAOYSA-N -1 0 323.396 1.305 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC000685940780 539564725 /nfs/dbraw/zinc/56/47/25/539564725.db2.gz UWEKQLMBGIMHMD-MJBXVCDLSA-N -1 0 320.393 1.769 50 0 DDAARM COc1ccc(Cl)cc1[C@]1(CCC(=O)[O-])NC(=O)NC1=O ZINC000071669909 191003062 /nfs/dbraw/zinc/00/30/62/191003062.db2.gz PSQBJNPEPVHUCP-ZDUSSCGKSA-N -1 0 312.709 1.248 50 0 DDAARM CCS(=O)(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072133366 191044680 /nfs/dbraw/zinc/04/46/80/191044680.db2.gz RGWNSSNHXRQKBD-UHFFFAOYSA-N -1 0 311.403 1.989 50 0 DDAARM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000152465173 186075734 /nfs/dbraw/zinc/07/57/34/186075734.db2.gz QZPJORJMQOZNJM-RDDDGLTNSA-N -1 0 312.416 1.959 50 0 DDAARM C[C@@H](CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CC1)C(=O)[O-] ZINC000237458400 186292600 /nfs/dbraw/zinc/29/26/00/186292600.db2.gz FEHAPPKXQCXCIQ-NWDGAFQWSA-N -1 0 322.405 1.489 50 0 DDAARM COc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)[O-])no2)cc1 ZINC000237480123 186295924 /nfs/dbraw/zinc/29/59/24/186295924.db2.gz OKRSILNUZMOCTJ-GFCCVEGCSA-N -1 0 303.318 1.794 50 0 DDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000262907489 186323176 /nfs/dbraw/zinc/32/31/76/186323176.db2.gz ILVBEAQPHAYOOC-CPUCHLNUSA-N -1 0 315.369 1.876 50 0 DDAARM COCC(=O)N1CCC(C(=O)[O-])(n2cnc3ccccc32)CC1 ZINC000072438774 191167979 /nfs/dbraw/zinc/16/79/79/191167979.db2.gz DTIYBZLKGMPDHO-UHFFFAOYSA-N -1 0 317.345 1.085 50 0 DDAARM CC(C)NS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000000615607 180830048 /nfs/dbraw/zinc/83/00/48/180830048.db2.gz KKPFSCHDCKZMPJ-UHFFFAOYSA-N -1 0 307.755 1.490 50 0 DDAARM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000002566271 180935893 /nfs/dbraw/zinc/93/58/93/180935893.db2.gz KDQLNJPBTLIYNW-AAEUAGOBSA-N -1 0 322.361 1.527 50 0 DDAARM O=C([O-])c1cc(I)cc2c(=O)[nH]cnc12 ZINC000116240276 353990037 /nfs/dbraw/zinc/99/00/37/353990037.db2.gz DYNKZQKHWZGMSD-UHFFFAOYSA-N -1 0 316.054 1.638 50 0 DDAARM COCCCN(C)C(=O)[C@H]1CC(C(=O)[O-])=NN1c1ccccc1 ZINC000585134008 354811248 /nfs/dbraw/zinc/81/12/48/354811248.db2.gz ALQVZBMZYFQJKB-CQSZACIVSA-N -1 0 319.361 1.201 50 0 DDAARM CC[C@H](CC(=O)[N-]S(=O)(=O)c1ncc[nH]1)c1ccccc1 ZINC000585136233 354811881 /nfs/dbraw/zinc/81/18/81/354811881.db2.gz XJRPJPSBVRVGGG-LLVKDONJSA-N -1 0 307.375 1.799 50 0 DDAARM C[C@H]1C[C@@H](c2ccccc2)n2nc([N-]S(C)(=O)=O)nc2N1 ZINC000005497993 181250107 /nfs/dbraw/zinc/25/01/07/181250107.db2.gz BTBPSPJYTFUGLY-ONGXEEELSA-N -1 0 307.379 1.443 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)[nH]n1 ZINC000236881352 202049707 /nfs/dbraw/zinc/04/97/07/202049707.db2.gz SZEJEPQVGNAQBC-NSHDSACASA-N -1 0 309.366 1.629 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1cccc(N2CCCC2=O)c1 ZINC000237030417 202128955 /nfs/dbraw/zinc/12/89/55/202128955.db2.gz WKPCPIJTRLPNJO-UHFFFAOYSA-N -1 0 304.346 1.750 50 0 DDAARM Cn1cc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](c3ccccc3)C2)cn1 ZINC000180348589 199148902 /nfs/dbraw/zinc/14/89/02/199148902.db2.gz RMLHBRFDYWZWOQ-UONOGXRCSA-N -1 0 313.357 1.751 50 0 DDAARM CO[C@@H](C)[C@H](C)NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000276258127 212758268 /nfs/dbraw/zinc/75/82/68/212758268.db2.gz FHQKPLZLQOTYBM-QWRGUYRKSA-N -1 0 315.391 1.703 50 0 DDAARM Cc1noc(C)c1C[C@H](C)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237512465 202267367 /nfs/dbraw/zinc/26/73/67/202267367.db2.gz UYELOERJQSCHEF-CABZTGNLSA-N -1 0 310.350 1.172 50 0 DDAARM Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237704494 202333648 /nfs/dbraw/zinc/33/36/48/202333648.db2.gz BSLRIEKFJUVYTI-LLVKDONJSA-N -1 0 302.330 1.792 50 0 DDAARM Cc1cccc(OCCNC(=O)CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000237711738 202335406 /nfs/dbraw/zinc/33/54/06/202335406.db2.gz TVSBRBVCQXHVGY-CQSZACIVSA-N -1 0 306.362 1.039 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)cs2)cn1 ZINC000237715980 202336217 /nfs/dbraw/zinc/33/62/17/202336217.db2.gz ZQLCQMWHDJNGTR-AWEZNQCLSA-N -1 0 320.374 1.480 50 0 DDAARM Cc1nc(C)n(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000237697173 202330174 /nfs/dbraw/zinc/33/01/74/202330174.db2.gz PRTHANZCDYIASV-CYBMUJFWSA-N -1 0 314.345 1.431 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)n1 ZINC000237700735 202331685 /nfs/dbraw/zinc/33/16/85/202331685.db2.gz PXTCWXNSQVOKTG-ZDUSSCGKSA-N -1 0 315.329 1.982 50 0 DDAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC000426634161 304091468 /nfs/dbraw/zinc/09/14/68/304091468.db2.gz JIHBREHSHVRNKZ-CYBMUJFWSA-N -1 0 321.377 1.100 50 0 DDAARM O=C([O-])CN1CCO[C@@H](c2ccccc2Br)C1 ZINC000238160823 202446047 /nfs/dbraw/zinc/44/60/47/202446047.db2.gz OQYWMXRGGYXYBS-LLVKDONJSA-N -1 0 300.152 1.907 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000190716666 200578150 /nfs/dbraw/zinc/57/81/50/200578150.db2.gz UBKDYXCAHSXKSC-UHFFFAOYSA-N -1 0 322.336 1.893 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000238039757 304103779 /nfs/dbraw/zinc/10/37/79/304103779.db2.gz IUZOEQSXJBYBOP-ZDUSSCGKSA-N -1 0 300.314 1.607 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000062119885 304122686 /nfs/dbraw/zinc/12/26/86/304122686.db2.gz CQFBUBSLBGWWCH-MRVPVSSYSA-N -1 0 323.292 1.801 50 0 DDAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000091445124 193057260 /nfs/dbraw/zinc/05/72/60/193057260.db2.gz PZNVGOVRQLSYTK-INIZCTEOSA-N -1 0 319.361 1.433 50 0 DDAARM CC(C)NC(=O)N1C[C@H]2CN(c3ccccn3)C[C@@]2(C(=O)[O-])C1 ZINC000091848910 193117398 /nfs/dbraw/zinc/11/73/98/193117398.db2.gz SKKPKOUJYHBLTD-MLGOLLRUSA-N -1 0 318.377 1.022 50 0 DDAARM CO[C@H]1C[C@H](NC(=O)N=c2nc(-c3ccsc3)[n-]s2)C1 ZINC000626498022 367583436 /nfs/dbraw/zinc/58/34/36/367583436.db2.gz LBCCOIQBVSCQTL-KYZUINATSA-N -1 0 310.404 1.987 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccco2)C1 ZINC000092098832 193158597 /nfs/dbraw/zinc/15/85/97/193158597.db2.gz JGBMZXZVCJBMIS-MRXNPFEDSA-N -1 0 309.362 1.942 50 0 DDAARM Cc1nscc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262972230 203421976 /nfs/dbraw/zinc/42/19/76/203421976.db2.gz JZUJDKCWWRNUME-SNVBAGLBSA-N -1 0 308.281 1.931 50 0 DDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000095991919 193482629 /nfs/dbraw/zinc/48/26/29/193482629.db2.gz HIIRNFZLSNIQAO-VHSXEESVSA-N -1 0 307.394 1.852 50 0 DDAARM COC(=O)c1ccc(-n2c(C)cc([O-])c(C(C)=O)c2=O)cc1 ZINC000016768618 182060154 /nfs/dbraw/zinc/06/01/54/182060154.db2.gz BGCNCWIEKCHEAZ-UHFFFAOYSA-N -1 0 301.298 1.841 50 0 DDAARM Cc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1C ZINC000017945688 182088421 /nfs/dbraw/zinc/08/84/21/182088421.db2.gz FZGKQZOQADRBNX-UHFFFAOYSA-N -1 0 305.359 1.525 50 0 DDAARM CC(=O)c1ccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000018211534 182098960 /nfs/dbraw/zinc/09/89/60/182098960.db2.gz PHCMZOAPDVIUTP-UHFFFAOYSA-N -1 0 318.358 1.819 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(OC(F)F)cc1 ZINC000020614384 182238878 /nfs/dbraw/zinc/23/88/78/182238878.db2.gz VWZQKYBBXZZPFA-UHFFFAOYSA-N -1 0 311.244 1.972 50 0 DDAARM NC(=O)Cc1csc(NC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000021495554 182274848 /nfs/dbraw/zinc/27/48/48/182274848.db2.gz XFOUGZFVQKKPID-UHFFFAOYSA-N -1 0 311.750 1.782 50 0 DDAARM COc1cc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc(OC)c1OC ZINC000022124101 182309083 /nfs/dbraw/zinc/30/90/83/182309083.db2.gz LOIKMOBNBLDUIF-UHFFFAOYSA-N -1 0 306.274 1.161 50 0 DDAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)c1 ZINC000024261211 182378093 /nfs/dbraw/zinc/37/80/93/182378093.db2.gz LHPFBCWSBQOJDU-UHFFFAOYSA-N -1 0 323.374 1.624 50 0 DDAARM CCn1ncc(CN(C)C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C ZINC000036624035 182830917 /nfs/dbraw/zinc/83/09/17/182830917.db2.gz NPTZEOQWGAHHSZ-UONOGXRCSA-N -1 0 305.378 1.837 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000299753907 304199567 /nfs/dbraw/zinc/19/95/67/304199567.db2.gz ZTAXSWMPIGPXHX-CYBMUJFWSA-N -1 0 306.293 1.162 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1SCCc2ccccc21 ZINC000299747134 304200031 /nfs/dbraw/zinc/20/00/31/304200031.db2.gz CATDSYDTKMAILM-OLZOCXBDSA-N -1 0 307.371 1.329 50 0 DDAARM O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccccc1F ZINC000040497568 183081975 /nfs/dbraw/zinc/08/19/75/183081975.db2.gz ZJRYWEPWZXWDGI-UHFFFAOYSA-N -1 0 319.321 1.602 50 0 DDAARM C[C@H](Oc1ccccc1Cl)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043702069 183381767 /nfs/dbraw/zinc/38/17/67/183381767.db2.gz AEVIBVZTBKJREX-CABZTGNLSA-N -1 0 313.737 1.419 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000268950157 207114285 /nfs/dbraw/zinc/11/42/85/207114285.db2.gz PYHZUXPNWRZOME-UHFFFAOYSA-N -1 0 319.361 1.399 50 0 DDAARM O=S(=O)([N-]c1cnn(CCO)c1)c1ccc2c(c1)CCCC2 ZINC000058061748 184073109 /nfs/dbraw/zinc/07/31/09/184073109.db2.gz YNMBCEFXRUYSBR-UHFFFAOYSA-N -1 0 321.402 1.555 50 0 DDAARM CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000269030676 207179177 /nfs/dbraw/zinc/17/91/77/207179177.db2.gz MMWJAEIGXLXACX-PXTSUWAFSA-N -1 0 319.357 1.801 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000269042636 207191071 /nfs/dbraw/zinc/19/10/71/207191071.db2.gz RKQHEMJZIBZMQT-KRWDZBQOSA-N -1 0 313.357 1.868 50 0 DDAARM C[C@@H](Nc1nc(N)nc2ccc(C(=O)[O-])cc21)c1cnn(C)c1 ZINC000065385363 184333157 /nfs/dbraw/zinc/33/31/57/184333157.db2.gz JOJGWTKFCQGCNW-MRVPVSSYSA-N -1 0 312.333 1.817 50 0 DDAARM Cc1cc(CNC(=O)N[C@@](C)(C(=O)[O-])c2ccc(F)cc2)on1 ZINC000065554051 184365458 /nfs/dbraw/zinc/36/54/58/184365458.db2.gz OEDWUVGIAIIXDD-OAHLLOKOSA-N -1 0 321.308 1.921 50 0 DDAARM COc1cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc1OC(C)C ZINC000065622272 184374815 /nfs/dbraw/zinc/37/48/15/184374815.db2.gz VPILOEQBKPYTME-UHFFFAOYSA-N -1 0 315.391 1.950 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1CC(=O)NCc1cccc(Cl)c1 ZINC000158360458 197265442 /nfs/dbraw/zinc/26/54/42/197265442.db2.gz YQYHPLIYMAASOR-ZDUSSCGKSA-N -1 0 310.781 1.895 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1F ZINC000321410456 533231143 /nfs/dbraw/zinc/23/11/43/533231143.db2.gz MMUNBQMTMACKSY-PYEVWLCESA-N -1 0 323.320 1.550 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)C2 ZINC000299746532 533280616 /nfs/dbraw/zinc/28/06/16/533280616.db2.gz YAFUCVFBDFDPNB-YVEFUNNKSA-N -1 0 319.357 1.570 50 0 DDAARM COc1ccc(C)cc1/C=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000315164077 533375014 /nfs/dbraw/zinc/37/50/14/533375014.db2.gz MBSJNRXBLQLIOA-YVARQFDVSA-N -1 0 305.330 1.329 50 0 DDAARM Nc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000267496 406636961 /nfs/dbraw/zinc/63/69/61/406636961.db2.gz AAWOKTGNZABRTQ-CQSZACIVSA-N -1 0 320.370 1.243 50 0 DDAARM COc1ccc(NC(=O)Cc2sc3ncnn3c2[O-])cc1 ZINC000000579141 406656010 /nfs/dbraw/zinc/65/60/10/406656010.db2.gz KSYONHWIFPZGSJ-JTQLQIEISA-N -1 0 304.331 1.430 50 0 DDAARM CC(=O)Nc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000001032231 406662638 /nfs/dbraw/zinc/66/26/38/406662638.db2.gz YBDMMSHODGHJRV-UHFFFAOYSA-N -1 0 300.274 1.386 50 0 DDAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccncc2)c1 ZINC000000377285 406642275 /nfs/dbraw/zinc/64/22/75/406642275.db2.gz PHUJCYZJUPLSHN-UHFFFAOYSA-N -1 0 301.327 1.907 50 0 DDAARM Cn1c(=O)c(I)c([O-])c2ccccc21 ZINC000005730905 406736690 /nfs/dbraw/zinc/73/66/90/406736690.db2.gz PICINENQXCVLTM-UHFFFAOYSA-N -1 0 301.083 1.849 50 0 DDAARM CC(C)OCCC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069593252 406739007 /nfs/dbraw/zinc/73/90/07/406739007.db2.gz APVKNIWSZTZEMD-UHFFFAOYSA-N -1 0 322.386 1.855 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2ncccc2C(=O)[O-])CC1 ZINC000006667023 406739244 /nfs/dbraw/zinc/73/92/44/406739244.db2.gz RQDJPSKVYOSWDB-UHFFFAOYSA-N -1 0 307.350 1.837 50 0 DDAARM O=C(/C=C/c1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000069811187 406776072 /nfs/dbraw/zinc/77/60/72/406776072.db2.gz NUZMFNTXZUTUOK-ATWMFIQVSA-N -1 0 309.387 1.715 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)NNc2ccccc2)ccc1O ZINC000008517977 406790389 /nfs/dbraw/zinc/79/03/89/406790389.db2.gz AWLFJTKVSCHULD-UHFFFAOYSA-N -1 0 308.315 1.396 50 0 DDAARM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]OCc1ccccc1 ZINC000025282781 406895545 /nfs/dbraw/zinc/89/55/45/406895545.db2.gz MJDAQRNEENJXJR-ZIAGYGMSSA-N -1 0 316.357 1.410 50 0 DDAARM Cc1nn(C)c2nc(C)cc(C(=O)NC3(C(=O)[O-])CCCC3)c12 ZINC000078307616 407024457 /nfs/dbraw/zinc/02/44/57/407024457.db2.gz XLYLYUHXLDIHFR-UHFFFAOYSA-N -1 0 316.361 1.712 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccoc2)cc1N(C)C ZINC000089644172 407143617 /nfs/dbraw/zinc/14/36/17/407143617.db2.gz KFHVNTFDZHMUEZ-UHFFFAOYSA-N -1 0 308.359 1.773 50 0 DDAARM O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1cn[nH]c1 ZINC000089750260 407146135 /nfs/dbraw/zinc/14/61/35/407146135.db2.gz YXQVMBBEJWMFLW-UHFFFAOYSA-N -1 0 307.253 1.935 50 0 DDAARM NS(=O)(=O)c1ccc(CNc2ncccc2C(=O)[O-])cc1 ZINC000089773324 407147840 /nfs/dbraw/zinc/14/78/40/407147840.db2.gz XUVIARPIVXIJIK-UHFFFAOYSA-N -1 0 307.331 1.039 50 0 DDAARM COc1cc(F)ccc1[C@H](C(=O)[O-])N1CCN(C(C)=O)CC1 ZINC000095358230 407208762 /nfs/dbraw/zinc/20/87/62/407208762.db2.gz ZBOHRYDVPVBVRL-CQSZACIVSA-N -1 0 310.325 1.124 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc(CC(C)C)no1)C(=O)[O-] ZINC000095531522 407214344 /nfs/dbraw/zinc/21/43/44/407214344.db2.gz OWDMOXFGQYVNIC-ZDUSSCGKSA-N -1 0 320.349 1.769 50 0 DDAARM Cc1oc(-c2cccs2)nc1CN1CCN(C)[C@H](C(=O)[O-])C1 ZINC000067805965 407285399 /nfs/dbraw/zinc/28/53/99/407285399.db2.gz GYHPYQYGJMVDGO-LBPRGKRZSA-N -1 0 321.402 1.912 50 0 DDAARM O=C([O-])CCn1cc(CN2CCO[C@H](c3cccnc3)C2)cn1 ZINC000097522757 407299512 /nfs/dbraw/zinc/29/95/12/407299512.db2.gz UNESKKFASJLSSO-HNNXBMFYSA-N -1 0 316.361 1.326 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)NCCCc2ccccc2)c1 ZINC000098086524 407305544 /nfs/dbraw/zinc/30/55/44/407305544.db2.gz SBOWERTZARKSAK-UHFFFAOYSA-N -1 0 314.341 1.296 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@@H](C)OCC2CC2)s1 ZINC000170650488 407466583 /nfs/dbraw/zinc/46/65/83/407466583.db2.gz VMCFKKMCUODAOJ-MRVPVSSYSA-N -1 0 318.420 1.380 50 0 DDAARM C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1nc(=O)[n-][nH]1 ZINC000215212806 407480174 /nfs/dbraw/zinc/48/01/74/407480174.db2.gz QHTPBZBPCOIBER-ZCFIWIBFSA-N -1 0 300.240 1.608 50 0 DDAARM Cc1ccc(C)c(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000129505209 407612782 /nfs/dbraw/zinc/61/27/82/407612782.db2.gz MIHNIAMBDAQFOW-GFCCVEGCSA-N -1 0 313.375 1.168 50 0 DDAARM Cn1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c2ccccc21 ZINC000262367049 407814006 /nfs/dbraw/zinc/81/40/06/407814006.db2.gz XDQPBSDOMYMCFO-NSHDSACASA-N -1 0 302.330 1.494 50 0 DDAARM O=C(CN1CCc2[nH]nc(C(=O)[O-])c2C1)NCC1CCCCC1 ZINC000240163620 407907391 /nfs/dbraw/zinc/90/73/91/407907391.db2.gz JCQCEFZTDRAOCH-UHFFFAOYSA-N -1 0 320.393 1.163 50 0 DDAARM CC(C)C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC000262502771 407851435 /nfs/dbraw/zinc/85/14/35/407851435.db2.gz NTMGKAGSTHOOPF-CMPLNLGQSA-N -1 0 310.350 1.261 50 0 DDAARM Cc1nccc(NC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC000263005017 407999271 /nfs/dbraw/zinc/99/92/71/407999271.db2.gz GRZTUZVFBYXGSD-HTQZYQBOSA-N -1 0 318.255 1.512 50 0 DDAARM CC[S@](=O)c1ccccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000263075579 408018299 /nfs/dbraw/zinc/01/82/99/408018299.db2.gz YQTVHKLAUIAEOC-FIKIJFGZSA-N -1 0 309.387 1.893 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000263244193 408074231 /nfs/dbraw/zinc/07/42/31/408074231.db2.gz CQUZXQHFIJZZSG-MRVPVSSYSA-N -1 0 313.737 1.585 50 0 DDAARM O=C([O-])C1(C(=O)NCC(=O)Nc2cccc3ccccc32)CC1 ZINC000154846881 408095076 /nfs/dbraw/zinc/09/50/76/408095076.db2.gz AWGZIVRAZKRDLD-UHFFFAOYSA-N -1 0 312.325 1.759 50 0 DDAARM Cc1ccn(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c(=O)c1 ZINC000263411094 408133734 /nfs/dbraw/zinc/13/37/34/408133734.db2.gz IXOIIWBISXLINN-MCIONIFRSA-N -1 0 318.373 1.401 50 0 DDAARM CNc1nc(C)cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000263461622 408146555 /nfs/dbraw/zinc/14/65/55/408146555.db2.gz VTRPCCSOTRRLQL-LLVKDONJSA-N -1 0 306.366 1.544 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000315226808 409839019 /nfs/dbraw/zinc/83/90/19/409839019.db2.gz VNBDKFUSXVATSK-HYXAFXHYSA-N -1 0 305.330 1.194 50 0 DDAARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(OC)cn2)c1 ZINC000337316785 410711662 /nfs/dbraw/zinc/71/16/62/410711662.db2.gz XSWLQXKDSYFWHC-UHFFFAOYSA-N -1 0 321.358 1.879 50 0 DDAARM O=c1c2ccccc2[n-]c(=S)n1CCCO[C@H]1CCOC1 ZINC000129459574 196050194 /nfs/dbraw/zinc/05/01/94/196050194.db2.gz IMYXPQUTBZOHOH-NSHDSACASA-N -1 0 306.387 1.881 50 0 DDAARM CCN(CC)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000133068669 196309155 /nfs/dbraw/zinc/30/91/55/196309155.db2.gz YEBFSQJBRWXJFO-ZDUSSCGKSA-N -1 0 305.378 1.865 50 0 DDAARM Cc1cc(C)c(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])s1 ZINC000312899994 418591313 /nfs/dbraw/zinc/59/13/13/418591313.db2.gz YGODHBIQSOXZBG-SNVBAGLBSA-N -1 0 319.404 1.229 50 0 DDAARM Cn1cc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000492349998 420531583 /nfs/dbraw/zinc/53/15/83/420531583.db2.gz PIZILNLLKXQQSP-XHPSBEMXSA-N -1 0 314.341 1.504 50 0 DDAARM O=C([O-])Cn1ccc(=NC(=O)/C=C\c2cc3ccccc3o2)[nH]1 ZINC000492184528 421210558 /nfs/dbraw/zinc/21/05/58/421210558.db2.gz UVRHWICSGMLAQM-WAYWQWQTSA-N -1 0 311.297 1.788 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(=O)N(C)C)s1 ZINC000585119191 422307425 /nfs/dbraw/zinc/30/74/25/422307425.db2.gz WCGCKODWQFWRDR-UHFFFAOYSA-N -1 0 314.392 1.282 50 0 DDAARM CCN(C)S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000342436653 271415084 /nfs/dbraw/zinc/41/50/84/271415084.db2.gz MEHZIUSEWFQVBD-JTQLQIEISA-N -1 0 300.380 1.873 50 0 DDAARM CC(C)[C@@H]1CN(C(=O)C2(Cn3cccn3)CC2)C[C@H]1C(=O)[O-] ZINC000091997742 279998830 /nfs/dbraw/zinc/99/88/30/279998830.db2.gz MUQIELPDDZIUSJ-QWHCGFSZSA-N -1 0 305.378 1.479 50 0 DDAARM CC1(C)Cc2c(c(-n3nn[n-]c3=O)ccc2Br)O1 ZINC000085389119 281369232 /nfs/dbraw/zinc/36/92/32/281369232.db2.gz HDYACRAPLIBAFO-UHFFFAOYSA-N -1 0 311.139 1.844 50 0 DDAARM CC1CCN(C2=N[C@@H](CC(=O)Nc3ccccc3)C([O-])=N2)CC1 ZINC000020466894 281805583 /nfs/dbraw/zinc/80/55/83/281805583.db2.gz AOVCRKJQTZWMLB-AWEZNQCLSA-N -1 0 314.389 1.602 50 0 DDAARM CCC(=O)N1C[C@@H]2c3cccc(OC)c3OC[C@]2(C(=O)[O-])C1 ZINC000096160976 281943607 /nfs/dbraw/zinc/94/36/07/281943607.db2.gz WDRDHKDNWFAYFP-BDJLRTHQSA-N -1 0 305.330 1.494 50 0 DDAARM CN1CCN([C@H](c2ccco2)c2sc3ncnn3c2[O-])CC1 ZINC000022027263 290056086 /nfs/dbraw/zinc/05/60/86/290056086.db2.gz NQEJVAAOVBRYAC-LLVKDONJSA-N -1 0 319.390 1.426 50 0 DDAARM COc1cccc2c(C)c(C(=O)N3CCOC[C@@H]3C(=O)[O-])oc21 ZINC000299747415 295332468 /nfs/dbraw/zinc/33/24/68/295332468.db2.gz CXXCBLZATZPKSY-LLVKDONJSA-N -1 0 319.313 1.675 50 0 DDAARM Cn1c2ccccc2c(Cl)c1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268995021 302901643 /nfs/dbraw/zinc/90/16/43/302901643.db2.gz VCXUUARMUNJJQW-NSHDSACASA-N -1 0 322.748 1.757 50 0 DDAARM CC1(C)C[C@H](C(=O)NCc2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000534637748 334310024 /nfs/dbraw/zinc/31/00/24/334310024.db2.gz RFSWAJSXWMBVFX-CYBMUJFWSA-N -1 0 315.377 1.688 50 0 DDAARM COc1cc(S(=O)(=O)[N-]c2cc(C)ccn2)c(OC)cc1C ZINC000095946075 484016234 /nfs/dbraw/zinc/01/62/34/484016234.db2.gz DEGQESWBBRMJIM-UHFFFAOYSA-N -1 0 322.386 2.516 50 0 DDAARM CC[C@@H](Oc1ccccc1C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299743781 529247459 /nfs/dbraw/zinc/24/74/59/529247459.db2.gz MEBTTXPZPUSRHZ-TZMCWYRMSA-N -1 0 307.346 1.464 50 0 DDAARM CC1(S(=O)(=O)N2CCC(n3cccc3C(=O)[O-])CC2)CC1 ZINC000829870205 706411124 /nfs/dbraw/zinc/41/11/24/706411124.db2.gz CXHADCMFOOREIZ-UHFFFAOYSA-N -1 0 312.391 1.706 50 0 DDAARM CC[C@@H](NC(=O)N1CC(Oc2c(C)cccc2C)C1)C(=O)[O-] ZINC000822564344 758222476 /nfs/dbraw/zinc/22/24/76/758222476.db2.gz GGOQMNIKZFWVBX-CYBMUJFWSA-N -1 0 306.362 1.939 50 0 DDAARM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)N=S(C)(C)=O)o1 ZINC000585086204 771934505 /nfs/dbraw/zinc/93/45/05/771934505.db2.gz DLNKKDAKDWDMGT-SNVBAGLBSA-N -1 0 324.424 1.092 50 0 DDAARM CCCCCOCC(=O)Nc1ccc([O-])c(S(N)(=O)=O)c1 ZINC000585107738 771945621 /nfs/dbraw/zinc/94/56/21/771945621.db2.gz DFUMXDGHPUXJRU-UHFFFAOYSA-N -1 0 316.379 1.185 50 0 DDAARM CC[C@@H](NC(=O)/C=C\c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000222052386 539265176 /nfs/dbraw/zinc/26/51/76/539265176.db2.gz FDHAYPZQSUUMPO-DOGVGXBMSA-N -1 0 321.329 1.459 50 0 DDAARM O=C([O-])C1(NC(=O)CCC(=O)c2ccccc2)CCOCC1 ZINC000222725318 539265726 /nfs/dbraw/zinc/26/57/26/539265726.db2.gz PUNNVVSHEOUPSU-UHFFFAOYSA-N -1 0 305.330 1.400 50 0 DDAARM CCC[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1nnn[n-]1 ZINC000089949663 185271272 /nfs/dbraw/zinc/27/12/72/185271272.db2.gz OCKQYVAXEVCLHU-JTQLQIEISA-N -1 0 313.321 1.521 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000169967169 197763012 /nfs/dbraw/zinc/76/30/12/197763012.db2.gz XSQUXEPKVXRTMU-CYBMUJFWSA-N -1 0 303.293 1.701 50 0 DDAARM NC(=O)Cc1csc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000071285482 190953439 /nfs/dbraw/zinc/95/34/39/190953439.db2.gz WBOANKCRFHZLQX-UHFFFAOYSA-N -1 0 319.342 1.050 50 0 DDAARM C[C@@H](NC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)[O-] ZINC000237503397 186298595 /nfs/dbraw/zinc/29/85/95/186298595.db2.gz ICCVLTMMGBXGIV-SECBINFHSA-N -1 0 313.300 1.602 50 0 DDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000262907493 186323120 /nfs/dbraw/zinc/32/31/20/186323120.db2.gz ILVBEAQPHAYOOC-VBQJREDUSA-N -1 0 315.369 1.876 50 0 DDAARM C[C@]1(CS(=O)(=O)[O-])[C@H]2CC[C@]1(C)C(=O)[C@H]2Br ZINC000002534399 352110962 /nfs/dbraw/zinc/11/09/62/352110962.db2.gz MFEDKMBNKNOUPA-MFDQJXRNSA-N -1 0 311.197 1.643 50 0 DDAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1C(N)=O ZINC000066965611 353029254 /nfs/dbraw/zinc/02/92/54/353029254.db2.gz BOETZJOXZAWWJK-VXGBXAGGSA-N -1 0 302.330 1.699 50 0 DDAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1C(N)=O ZINC000066965609 353029566 /nfs/dbraw/zinc/02/95/66/353029566.db2.gz BOETZJOXZAWWJK-RYUDHWBXSA-N -1 0 302.330 1.699 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000492124667 234391956 /nfs/dbraw/zinc/39/19/56/234391956.db2.gz MAAPIKHQDLABKP-MAVJXHJTSA-N -1 0 317.341 1.794 50 0 DDAARM O=C(CSc1[n-]c(=O)nc2nc[nH]c21)NCc1ccccc1 ZINC000075252836 353356809 /nfs/dbraw/zinc/35/68/09/353356809.db2.gz YIIIOYLLBKCUKS-UHFFFAOYSA-N -1 0 315.358 1.419 50 0 DDAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000075093034 353346293 /nfs/dbraw/zinc/34/62/93/353346293.db2.gz KJPWGRDYADKFJL-CHWSQXEVSA-N -1 0 300.362 1.259 50 0 DDAARM Cc1c(C(=O)NCC(=O)[O-])sc2nc(C3CC3)nc(C)c12 ZINC000076018294 353390509 /nfs/dbraw/zinc/39/05/09/353390509.db2.gz DXMYPUAMORJSCH-UHFFFAOYSA-N -1 0 305.359 2.000 50 0 DDAARM CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000003394094 181014718 /nfs/dbraw/zinc/01/47/18/181014718.db2.gz KLMOKXABTXOXNC-UHFFFAOYSA-N -1 0 311.359 1.375 50 0 DDAARM COc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000004318862 181097222 /nfs/dbraw/zinc/09/72/22/181097222.db2.gz GOJFKLRGAUBORJ-AWEZNQCLSA-N -1 0 318.329 1.860 50 0 DDAARM O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000390833509 354642655 /nfs/dbraw/zinc/64/26/55/354642655.db2.gz IOBNWBVMAIFONL-UHFFFAOYSA-N -1 0 323.330 1.258 50 0 DDAARM COc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000004992099 181186630 /nfs/dbraw/zinc/18/66/30/181186630.db2.gz DGWNIRKQZHUQNB-UMPJEAMMSA-N -1 0 315.325 1.062 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H]2CCSC2=O)cc1 ZINC000005545587 181255257 /nfs/dbraw/zinc/25/52/57/181255257.db2.gz WQKUURKVGDYWJD-SNVBAGLBSA-N -1 0 314.388 1.015 50 0 DDAARM O=C([O-])C[S@](=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000005511591 181251949 /nfs/dbraw/zinc/25/19/49/181251949.db2.gz WNTIKQJCPFTHAW-SFHVURJKSA-N -1 0 310.158 1.765 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cncn2-c2ccc(F)cc2)C1 ZINC000178263319 198839671 /nfs/dbraw/zinc/83/96/71/198839671.db2.gz WCIPWECEKXRSQP-JTQLQIEISA-N -1 0 303.293 1.558 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1Cc1cnn(-c2ccccc2F)c1 ZINC000072152875 304079035 /nfs/dbraw/zinc/07/90/35/304079035.db2.gz YBPNSAQJTWKGOG-CYBMUJFWSA-N -1 0 319.336 1.687 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)C2=O)cc1 ZINC000237639419 202313478 /nfs/dbraw/zinc/31/34/78/202313478.db2.gz WFYJDMHRUKPEPG-TZMCWYRMSA-N -1 0 316.357 1.281 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000237652438 202318409 /nfs/dbraw/zinc/31/84/09/202318409.db2.gz RWDMIJDQNKIPHA-BDJLRTHQSA-N -1 0 308.378 1.101 50 0 DDAARM Cc1ccc(N2C[C@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)cc1 ZINC000237654225 202318808 /nfs/dbraw/zinc/31/88/08/202318808.db2.gz QCQZEOVCFDWPLK-LLVKDONJSA-N -1 0 302.330 1.081 50 0 DDAARM Cc1ccccc1O[C@@H](C)C(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000237686421 202327991 /nfs/dbraw/zinc/32/79/91/202327991.db2.gz VOLXYXVKHAVHSN-AWEZNQCLSA-N -1 0 320.389 1.381 50 0 DDAARM Cc1nc(C)n(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)n1 ZINC000237697034 202329662 /nfs/dbraw/zinc/32/96/62/202329662.db2.gz KKWGEWBJWASPMB-AWEZNQCLSA-N -1 0 314.345 1.573 50 0 DDAARM Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000237759752 202347967 /nfs/dbraw/zinc/34/79/67/202347967.db2.gz JHQZOQAPJPMELO-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)c[nH]c2c1 ZINC000237871167 202375824 /nfs/dbraw/zinc/37/58/24/202375824.db2.gz ACFWOXWDSOXEEY-CQSZACIVSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1nn(-c2ccccc2)cc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237883947 202378294 /nfs/dbraw/zinc/37/82/94/202378294.db2.gz RAWVZBBPUWVKSM-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000159770498 304103758 /nfs/dbraw/zinc/10/37/58/304103758.db2.gz IEOOVZVLACCJQP-ZDUSSCGKSA-N -1 0 320.320 1.790 50 0 DDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000006699875 181372313 /nfs/dbraw/zinc/37/23/13/181372313.db2.gz IIEYGYJAWDOCJK-UHFFFAOYSA-N -1 0 312.297 1.865 50 0 DDAARM CCc1nccn1CCC(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC000091594886 193077555 /nfs/dbraw/zinc/07/75/55/193077555.db2.gz JHAWLDMXPJYIQP-INIZCTEOSA-N -1 0 307.394 1.939 50 0 DDAARM CCCc1nnc(N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])s1 ZINC000091713712 193096227 /nfs/dbraw/zinc/09/62/27/193096227.db2.gz FGUPTLYPHYKXSN-VIFPVBQESA-N -1 0 324.406 1.050 50 0 DDAARM Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])ccc1F ZINC000218734101 201542141 /nfs/dbraw/zinc/54/21/41/201542141.db2.gz QZMGNBHHDAKQBE-OLZOCXBDSA-N -1 0 311.309 1.123 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(Cl)c1Cl ZINC000088375690 304135979 /nfs/dbraw/zinc/13/59/79/304135979.db2.gz XOBVJUVIJBVRSJ-VIFPVBQESA-N -1 0 304.129 1.919 50 0 DDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262169595 203217533 /nfs/dbraw/zinc/21/75/33/203217533.db2.gz QJMGOXAOKMHUBJ-NWANDNLSSA-N -1 0 316.357 1.705 50 0 DDAARM Cc1cc2ccccc2n1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000262306880 203255630 /nfs/dbraw/zinc/25/56/30/203255630.db2.gz PETYHVLHOHLGEI-AWEZNQCLSA-N -1 0 302.330 1.262 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000262603944 203347351 /nfs/dbraw/zinc/34/73/51/203347351.db2.gz KHGDTTHWKBCDEP-UHFFFAOYSA-N -1 0 309.318 1.403 50 0 DDAARM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000262661664 203370238 /nfs/dbraw/zinc/37/02/38/203370238.db2.gz LUPJSWXYGSDBIY-UHFFFAOYSA-N -1 0 317.310 1.862 50 0 DDAARM O=C([O-])c1ccc(CC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000263303026 203453411 /nfs/dbraw/zinc/45/34/11/203453411.db2.gz DPSCXMDIKHLZNJ-ZDUSSCGKSA-N -1 0 303.358 1.955 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])C2 ZINC000095970481 193467246 /nfs/dbraw/zinc/46/72/46/193467246.db2.gz URGQRUQGXJMFJA-JQWIXIFHSA-N -1 0 307.346 1.425 50 0 DDAARM Cc1ccc(C(=O)[O-])c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000011990930 181722100 /nfs/dbraw/zinc/72/21/00/181722100.db2.gz MLPPIKBOAGLDAR-JTQLQIEISA-N -1 0 311.359 1.457 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000013260535 181840053 /nfs/dbraw/zinc/84/00/53/181840053.db2.gz QBLFPYGLLAYREU-CYBMUJFWSA-N -1 0 316.357 1.750 50 0 DDAARM O=C([O-])c1cccc(NC(=O)C[C@H]2SC3=NCCN3C2=O)c1 ZINC000016899437 182062576 /nfs/dbraw/zinc/06/25/76/182062576.db2.gz BLGMWDUULFZBFM-SNVBAGLBSA-N -1 0 319.342 1.027 50 0 DDAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299751311 296208792 /nfs/dbraw/zinc/20/87/92/296208792.db2.gz QHMFLZPOLSTYFF-PELKAZGASA-N -1 0 315.272 1.044 50 0 DDAARM COC(=O)c1nnsc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000020727884 182244678 /nfs/dbraw/zinc/24/46/78/182244678.db2.gz OKQLTFDRDBXUIG-UHFFFAOYSA-N -1 0 317.323 1.265 50 0 DDAARM O=C(NC[C@@H]1CCCO1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621257 193802109 /nfs/dbraw/zinc/80/21/09/193802109.db2.gz YYQCPOWZMNFGSQ-NSHDSACASA-N -1 0 314.341 1.172 50 0 DDAARM O=S(=O)([N-]c1cc(Cl)ccc1-n1cncn1)c1cn[nH]c1 ZINC000040825224 183137520 /nfs/dbraw/zinc/13/75/20/183137520.db2.gz GVLYPQRBYXWHGY-UHFFFAOYSA-N -1 0 324.753 1.445 50 0 DDAARM O=C([O-])c1cccc(CNC(=O)CN2CCCCCC2=O)c1 ZINC000336850138 249255964 /nfs/dbraw/zinc/25/59/64/249255964.db2.gz OVMDCUFYEJWKKG-UHFFFAOYSA-N -1 0 304.346 1.404 50 0 DDAARM COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cc1OC ZINC000043503517 183367437 /nfs/dbraw/zinc/36/74/37/183367437.db2.gz NZJCAWHFZUXLTM-CQSZACIVSA-N -1 0 311.359 1.394 50 0 DDAARM COc1cccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[n-]2)c1 ZINC000057523545 184040739 /nfs/dbraw/zinc/04/07/39/184040739.db2.gz UHIOSXSSMJRIBW-CQSZACIVSA-N -1 0 324.344 1.568 50 0 DDAARM COc1ccc2[nH]cc(CC(=O)N3CCOC[C@@H]3C(=O)[O-])c2c1 ZINC000268968880 207133731 /nfs/dbraw/zinc/13/37/31/207133731.db2.gz FGBKKUBSKUNANM-CQSZACIVSA-N -1 0 318.329 1.031 50 0 DDAARM CNC(=O)COc1cccc(NC(=O)c2ncccc2[O-])c1 ZINC000058244522 184093963 /nfs/dbraw/zinc/09/39/63/184093963.db2.gz AOZHTWPWIGKRAI-UHFFFAOYSA-N -1 0 301.302 1.164 50 0 DDAARM COc1ccc(NC(=O)c2c([O-])c3cnn(C)c3[nH]c2=O)cc1 ZINC000065249837 184318714 /nfs/dbraw/zinc/31/87/14/184318714.db2.gz HFMSZPSUSWMPAO-UHFFFAOYSA-N -1 0 314.301 1.228 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)s1 ZINC000262763808 304233256 /nfs/dbraw/zinc/23/32/56/304233256.db2.gz KSJIPGAEJOUZBM-IUCAKERBSA-N -1 0 308.359 1.330 50 0 DDAARM O=C([O-])CCNC(=O)c1ccccc1COC1CCOCC1 ZINC000269181669 207301088 /nfs/dbraw/zinc/30/10/88/207301088.db2.gz LIWCJDABMUSHLF-UHFFFAOYSA-N -1 0 307.346 1.587 50 0 DDAARM COc1ccsc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000299747873 533091189 /nfs/dbraw/zinc/09/11/89/533091189.db2.gz FLNSYKFDLPOIQZ-UHFFFAOYSA-N -1 0 313.375 1.853 50 0 DDAARM Cn1cc(Cl)cc1C(=O)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000355506152 257236191 /nfs/dbraw/zinc/23/61/91/257236191.db2.gz LHBALMKTWYOVRB-UHFFFAOYSA-N -1 0 309.757 1.522 50 0 DDAARM COc1ccc(/C=C\C(=O)N(CC(=O)[O-])C2CC2)c(OC)c1 ZINC000492139482 533241428 /nfs/dbraw/zinc/24/14/28/533241428.db2.gz NZICDJIQZNASMC-YWEYNIOJSA-N -1 0 305.330 1.793 50 0 DDAARM O=c1c2cc(F)ccc2[n-]c(=S)n1CCN1CCOCC1 ZINC000000425292 406648760 /nfs/dbraw/zinc/64/87/60/406648760.db2.gz GNUKBNMNLBKBKJ-UHFFFAOYSA-N -1 0 309.366 1.157 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc2nc(NC(C)=O)sc2c1 ZINC000000795912 406659096 /nfs/dbraw/zinc/65/90/96/406659096.db2.gz OKMTVAYNHAPJPP-UHFFFAOYSA-N -1 0 313.360 1.080 50 0 DDAARM CCCCCOC(=O)[C@H](CC)Sc1n[nH]c(=O)[n-]c1=O ZINC000001799355 406678043 /nfs/dbraw/zinc/67/80/43/406678043.db2.gz CDTPCQIIDWZHNJ-QMMMGPOBSA-N -1 0 301.368 1.062 50 0 DDAARM O=C(N[C@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O)C1CC1 ZINC000005210042 406733384 /nfs/dbraw/zinc/73/33/84/406733384.db2.gz LCBHEFMUCNBQRV-ZDUSSCGKSA-N -1 0 324.262 1.887 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(F)cc1F ZINC000069631245 406748910 /nfs/dbraw/zinc/74/89/10/406748910.db2.gz HDLACGVSBZCADP-SNVBAGLBSA-N -1 0 319.329 1.594 50 0 DDAARM CC[C@@H](C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000008480213 406787826 /nfs/dbraw/zinc/78/78/26/406787826.db2.gz MTODZIVDZDTPKB-QMTHXVAHSA-N -1 0 317.345 1.012 50 0 DDAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)n(C[C@H]3CCCO3)c(=O)c12 ZINC000008739722 406795762 /nfs/dbraw/zinc/79/57/62/406795762.db2.gz IHQMAYPPCLRMEF-SSDOTTSWSA-N -1 0 310.331 1.349 50 0 DDAARM NC(=O)CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1 ZINC000009761953 406812780 /nfs/dbraw/zinc/81/27/80/406812780.db2.gz WWWHTURGXNCGAQ-UHFFFAOYSA-N -1 0 305.768 1.029 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c(OC)c1 ZINC000009548162 406811897 /nfs/dbraw/zinc/81/18/97/406811897.db2.gz YOZYZKJWQSDICH-UHFFFAOYSA-N -1 0 311.363 1.845 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000013170447 406859652 /nfs/dbraw/zinc/85/96/52/406859652.db2.gz UFQZVMLULHEIOM-FVOPLDGLSA-N -1 0 303.314 1.752 50 0 DDAARM COc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c(OC)c1 ZINC000013759247 406867828 /nfs/dbraw/zinc/86/78/28/406867828.db2.gz WPTIPNFSJICZEU-WZUFQYTHSA-N -1 0 323.326 1.825 50 0 DDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000072275637 406877899 /nfs/dbraw/zinc/87/78/99/406877899.db2.gz DINNQOWLDYFKAV-AMIZOPFISA-N -1 0 317.263 1.725 50 0 DDAARM Cc1nnsc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000019993659 406885967 /nfs/dbraw/zinc/88/59/67/406885967.db2.gz OFWPZDMPQFNVOO-NSHDSACASA-N -1 0 303.343 1.498 50 0 DDAARM O=C(c1ccc(O)cc1)N1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000020540360 406887262 /nfs/dbraw/zinc/88/72/62/406887262.db2.gz CXPFHGVXAGXFPQ-MRXNPFEDSA-N -1 0 310.353 1.576 50 0 DDAARM CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)c(C(=O)[O-])c1 ZINC000021716411 406888782 /nfs/dbraw/zinc/88/87/82/406888782.db2.gz VCSOAZBQRMMCOT-UHFFFAOYSA-N -1 0 305.334 1.012 50 0 DDAARM Cc1ccn(-c2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)n1 ZINC000032105011 406946265 /nfs/dbraw/zinc/94/62/65/406946265.db2.gz ALLOUGKIZPQPQW-UHFFFAOYSA-N -1 0 323.312 1.921 50 0 DDAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(N(C)C)c1 ZINC000339026097 286773492 /nfs/dbraw/zinc/77/34/92/286773492.db2.gz LAFBAODKGDGHBO-LLVKDONJSA-N -1 0 314.407 1.626 50 0 DDAARM COC(=O)N(C)CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000089895868 407156514 /nfs/dbraw/zinc/15/65/14/407156514.db2.gz JXEBZRUITKLRKS-GFCCVEGCSA-N -1 0 322.361 1.434 50 0 DDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1cscn1)CC2 ZINC000095382304 407212495 /nfs/dbraw/zinc/21/24/95/407212495.db2.gz XCYPOQPGTWTPAY-NSHDSACASA-N -1 0 309.391 1.041 50 0 DDAARM COc1cc(CN2CCOC[C@H]2CC(=O)[O-])cc2c1OCO2 ZINC000097088468 407279418 /nfs/dbraw/zinc/27/94/18/407279418.db2.gz CODCIDSKMOLTDK-LLVKDONJSA-N -1 0 309.318 1.099 50 0 DDAARM CCCc1ncncc1-c1nc(-c2ccncc2)nn1CC(=O)[O-] ZINC000097660674 407301194 /nfs/dbraw/zinc/30/11/94/407301194.db2.gz RXNCHGGDPUMLCK-UHFFFAOYSA-N -1 0 324.344 1.834 50 0 DDAARM O=C([O-])CNC(=O)/C=C\c1ccc(I)o1 ZINC000098042489 407305116 /nfs/dbraw/zinc/30/51/16/407305116.db2.gz OBHYIWUEGQDBTP-RQOWECAXSA-N -1 0 321.070 1.098 50 0 DDAARM C[C@@H](CN(C)C(=O)CCc1ccc(F)cc1F)c1nnn[n-]1 ZINC000124248749 407352392 /nfs/dbraw/zinc/35/23/92/407352392.db2.gz SLRDCSRRMHCTCK-VIFPVBQESA-N -1 0 309.320 1.673 50 0 DDAARM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1Cl)c1nnn[n-]1 ZINC000124499586 407360008 /nfs/dbraw/zinc/36/00/08/407360008.db2.gz XGYKNWUGBXCSSD-QMMMGPOBSA-N -1 0 311.748 1.797 50 0 DDAARM COc1cccc(Cl)c1CC(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000124626027 407364471 /nfs/dbraw/zinc/36/44/71/407364471.db2.gz PNJGDRIQLJZXJR-SECBINFHSA-N -1 0 323.784 1.666 50 0 DDAARM O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2[n-]c(=S)oc2c1 ZINC000170651941 407467291 /nfs/dbraw/zinc/46/72/91/407467291.db2.gz RGXWNGZZZCMGGD-SECBINFHSA-N -1 0 317.370 1.610 50 0 DDAARM C[C@@H](CCNC(=O)CSc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000253425778 407446135 /nfs/dbraw/zinc/44/61/35/407446135.db2.gz HLGFVWBXRVNPBF-JTQLQIEISA-N -1 0 306.391 1.500 50 0 DDAARM O=C(c1ccncc1[O-])N1CCCC[C@@H]1CCN1CCOCC1 ZINC000220567787 407541139 /nfs/dbraw/zinc/54/11/39/407541139.db2.gz WWOMMLRDMFZTBS-CQSZACIVSA-N -1 0 319.405 1.504 50 0 DDAARM CC[C@H](C)c1ccccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262163831 407757355 /nfs/dbraw/zinc/75/73/55/407757355.db2.gz VOVKNNVFQBRRGN-WFASDCNBSA-N -1 0 321.373 1.891 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCCO1 ZINC000237962957 407856978 /nfs/dbraw/zinc/85/69/78/407856978.db2.gz NPXPUMYYBKQPDS-LSDHHAIUSA-N -1 0 316.357 1.849 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000238056227 407879085 /nfs/dbraw/zinc/87/90/85/407879085.db2.gz QNSACOUEYRZHEU-CYBMUJFWSA-N -1 0 300.318 1.347 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2OCCc3ccccc32)o1 ZINC000238123996 407893770 /nfs/dbraw/zinc/89/37/70/407893770.db2.gz WXAWRSSWHVWPOP-AWEZNQCLSA-N -1 0 301.298 1.908 50 0 DDAARM Cn1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])ccc1=O ZINC000237883012 407847525 /nfs/dbraw/zinc/84/75/25/407847525.db2.gz HUPQDKFWULUZAC-CQSZACIVSA-N -1 0 312.325 1.037 50 0 DDAARM COc1cccc(CS(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000263093689 408023216 /nfs/dbraw/zinc/02/32/16/408023216.db2.gz JBOUQLNYQSQXHI-ZWNOBZJWSA-N -1 0 313.375 1.178 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000263560850 408175360 /nfs/dbraw/zinc/17/53/60/408175360.db2.gz RJZROFUVGROTDC-NEPJUHHUSA-N -1 0 308.353 1.752 50 0 DDAARM Cc1ccc(OCCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C ZINC000314809208 409830675 /nfs/dbraw/zinc/83/06/75/409830675.db2.gz NBCPPINJISHFQA-AWEZNQCLSA-N -1 0 307.346 1.384 50 0 DDAARM O=C(c1csc(=O)[nH]1)N1CCN(Cc2ccncc2)CC1 ZINC000329912956 410484424 /nfs/dbraw/zinc/48/44/24/410484424.db2.gz OLIDCCAYXHVXAB-UHFFFAOYSA-N -1 0 304.375 1.202 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc2cnccc21 ZINC000650232782 423092996 /nfs/dbraw/zinc/09/29/96/423092996.db2.gz MVSHDMRZVVHCAV-ZWNOBZJWSA-N -1 0 320.370 1.861 50 0 DDAARM O=C(Nc1nccn1Cc1ccccc1Cl)c1n[nH]c(=O)[n-]1 ZINC000075139965 418492105 /nfs/dbraw/zinc/49/21/05/418492105.db2.gz VABOZOWJXWWAFP-UHFFFAOYSA-N -1 0 318.724 1.661 50 0 DDAARM NC(=O)C[C@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118882713 418501991 /nfs/dbraw/zinc/50/19/91/418501991.db2.gz MAVHTJKFINDRBD-SNVBAGLBSA-N -1 0 319.386 1.987 50 0 DDAARM CCn1ncc(CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1C ZINC000426740570 419541605 /nfs/dbraw/zinc/54/16/05/419541605.db2.gz PYWSLQMNKFZTHI-UHFFFAOYSA-N -1 0 304.350 1.785 50 0 DDAARM COc1ccc(CCCCC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299750180 229394006 /nfs/dbraw/zinc/39/40/06/229394006.db2.gz MSDZOGCIIKXFAB-HNNXBMFYSA-N -1 0 321.373 1.720 50 0 DDAARM COc1cccc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])oc21 ZINC000299750957 229394682 /nfs/dbraw/zinc/39/46/82/229394682.db2.gz OWKPKHRHRPMEMW-SNVBAGLBSA-N -1 0 305.286 1.367 50 0 DDAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3ccoc3)sc2C(=O)C1 ZINC000299769464 229416226 /nfs/dbraw/zinc/41/62/26/229416226.db2.gz NIQNROHXGOBRPC-SSDOTTSWSA-N -1 0 306.299 1.818 50 0 DDAARM CC(=O)N(C)C1CCN(C(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000262164929 277956884 /nfs/dbraw/zinc/95/68/84/277956884.db2.gz KWTZAPHTWKLTJO-UHFFFAOYSA-N -1 0 318.373 1.397 50 0 DDAARM C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)CS2 ZINC000268901658 297931553 /nfs/dbraw/zinc/93/15/53/297931553.db2.gz GLODFIUWKCYZQX-YMTOWFKASA-N -1 0 324.358 1.048 50 0 DDAARM COc1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1-n1nnnc1C ZINC000575805161 304734283 /nfs/dbraw/zinc/73/42/83/304734283.db2.gz IIZQWASSDMYGQK-UHFFFAOYSA-N -1 0 319.321 1.029 50 0 DDAARM COc1ccc(C2(NC(=O)c3cnc(C(=O)[O-])cn3)CC2)cc1 ZINC000521050368 302870082 /nfs/dbraw/zinc/87/00/82/302870082.db2.gz LILSDJBHHJSHBG-UHFFFAOYSA-N -1 0 313.313 1.603 50 0 DDAARM Cn1nnc(-c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)n1 ZINC000071285028 303104763 /nfs/dbraw/zinc/10/47/63/303104763.db2.gz NDOMSNUSYAYMSP-QWRGUYRKSA-N -1 0 315.333 1.172 50 0 DDAARM Cn1cnnc1-c1cncc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000663048215 484625740 /nfs/dbraw/zinc/62/57/40/484625740.db2.gz JATRSKLQOCTZEB-LLVKDONJSA-N -1 0 317.349 1.563 50 0 DDAARM Cc1[nH]nc2ncc(C(=O)NC3(CC(=O)[O-])CCOCC3)cc12 ZINC000663122932 484685874 /nfs/dbraw/zinc/68/58/74/484685874.db2.gz QEJQFCMVSPBUNX-UHFFFAOYSA-N -1 0 318.333 1.020 50 0 DDAARM Cc1oc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1C(=O)[O-] ZINC000299742183 534545308 /nfs/dbraw/zinc/54/53/08/534545308.db2.gz IKZHMZZRPFWCRO-AWEZNQCLSA-N -1 0 317.297 1.742 50 0 DDAARM CC(=O)c1c(C)nn(CCC(=O)N[C@H](C(=O)[O-])C2CC2)c1C ZINC000426566895 527172255 /nfs/dbraw/zinc/17/22/55/527172255.db2.gz MLLBSRGOIKMYTA-AWEZNQCLSA-N -1 0 307.350 1.072 50 0 DDAARM CC(C)(NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000299386973 527270947 /nfs/dbraw/zinc/27/09/47/527270947.db2.gz ZGCUDCUWKWHOEE-UHFFFAOYSA-N -1 0 313.737 1.633 50 0 DDAARM CC(=Cc1ccc(Cl)cc1)C(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000095443142 696603217 /nfs/dbraw/zinc/60/32/17/696603217.db2.gz QYOXNVMICXVKOX-HJWRWDBZSA-N -1 0 306.753 1.514 50 0 DDAARM Cc1cc(C[C@H](C)NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)[nH]n1 ZINC000263122747 698492415 /nfs/dbraw/zinc/49/24/15/698492415.db2.gz CLAQAMYESBFZFF-SCVCMEIPSA-N -1 0 308.382 1.401 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C1CC1 ZINC000091270127 750864612 /nfs/dbraw/zinc/86/46/12/750864612.db2.gz FFOITYHUCISQAJ-NWDGAFQWSA-N -1 0 318.329 1.990 50 0 DDAARM CC(C)(C)C(=O)Nc1nonc1[N-]C(=O)c1ccc(Cl)o1 ZINC000585125332 771956582 /nfs/dbraw/zinc/95/65/82/771956582.db2.gz ODEVFZIOONNOIC-UHFFFAOYSA-N -1 0 312.713 2.553 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c(N(C)C)nn1 ZINC000585129777 771961754 /nfs/dbraw/zinc/96/17/54/771961754.db2.gz WANKAQSXWBFEMJ-UHFFFAOYSA-N -1 0 324.410 1.429 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000088374237 185247452 /nfs/dbraw/zinc/24/74/52/185247452.db2.gz CGDDEGDLYLWTIW-HDMKULJXSA-N -1 0 301.751 1.727 50 0 DDAARM CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262843649 539275877 /nfs/dbraw/zinc/27/58/77/539275877.db2.gz AKHXOXHHVQGYFC-NSHDSACASA-N -1 0 319.423 1.303 50 0 DDAARM Cn1nnc(-c2ccccc2NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071285072 190952393 /nfs/dbraw/zinc/95/23/93/190952393.db2.gz DTXISFHMFABOBH-WDEREUQCSA-N -1 0 315.333 1.172 50 0 DDAARM O=c1[n-]c(CCn2ccnc2-c2ccc(-n3ccnc3)cc2)n[nH]1 ZINC000072141596 191048923 /nfs/dbraw/zinc/04/89/23/191048923.db2.gz UALPXFQIPZVQRK-UHFFFAOYSA-N -1 0 321.344 1.390 50 0 DDAARM O=C(Cc1ccccc1)N(Cc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000072404734 191151973 /nfs/dbraw/zinc/15/19/73/191151973.db2.gz CDYUEZFYDPFJQF-UHFFFAOYSA-N -1 0 308.341 1.874 50 0 DDAARM CC(C)SCC(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072420006 191157185 /nfs/dbraw/zinc/15/71/85/191157185.db2.gz HMGCJAVNPDYGHR-UHFFFAOYSA-N -1 0 311.407 1.384 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000075093031 353346404 /nfs/dbraw/zinc/34/64/04/353346404.db2.gz KJPWGRDYADKFJL-STQMWFEESA-N -1 0 300.362 1.259 50 0 DDAARM O=C([O-])CCNS(=O)(=O)c1cccc(Br)c1 ZINC000002631700 180941571 /nfs/dbraw/zinc/94/15/71/180941571.db2.gz JBXKHAAFCMCAFR-UHFFFAOYSA-N -1 0 308.153 1.202 50 0 DDAARM Cc1nc2cc([N-]S(=O)(=O)c3cnn(C)c3)ccc2n1C ZINC000079051779 353547972 /nfs/dbraw/zinc/54/79/72/353547972.db2.gz VDVMCIHVERHWPV-UHFFFAOYSA-N -1 0 305.363 1.416 50 0 DDAARM CN(C)Cc1nc(C(C)(C)NC(=O)c2ccc(F)cc2[O-])no1 ZINC000094087072 353909626 /nfs/dbraw/zinc/90/96/26/353909626.db2.gz RXAYQWHFNQCFIQ-UHFFFAOYSA-N -1 0 322.340 1.641 50 0 DDAARM O=C([O-])[C@H](CC(=O)Nc1ccc(O)cc1)NCc1ccco1 ZINC000004280042 181092196 /nfs/dbraw/zinc/09/21/96/181092196.db2.gz SFFRLAHTXJZMAX-ZDUSSCGKSA-N -1 0 304.302 1.557 50 0 DDAARM COCCCN(C)C(=O)[C@@H]1CC(C(=O)[O-])=NN1c1ccccc1 ZINC000585134007 354811280 /nfs/dbraw/zinc/81/12/80/354811280.db2.gz ALQVZBMZYFQJKB-AWEZNQCLSA-N -1 0 319.361 1.201 50 0 DDAARM CC[C@@H](C)[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000237027402 202126950 /nfs/dbraw/zinc/12/69/50/202126950.db2.gz RTEQCVVUISZIAD-BXUZGUMPSA-N -1 0 320.393 1.309 50 0 DDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000237156898 202170649 /nfs/dbraw/zinc/17/06/49/202170649.db2.gz UMNCSINELYUZEX-SECBINFHSA-N -1 0 310.737 1.236 50 0 DDAARM CCOCCOC(=O)c1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000005890011 181293554 /nfs/dbraw/zinc/29/35/54/181293554.db2.gz XVOSNUHRGPIWLX-UHFFFAOYSA-N -1 0 318.333 1.410 50 0 DDAARM COc1cc(C2(C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)ccc1C ZINC000237287309 202219043 /nfs/dbraw/zinc/21/90/43/202219043.db2.gz KIMVMSQSGRFCGG-GFCCVEGCSA-N -1 0 303.358 1.968 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2nc(C3CC3)no2)C1 ZINC000237643528 202314989 /nfs/dbraw/zinc/31/49/89/202314989.db2.gz UINNOTMEYFRUBK-OAHLLOKOSA-N -1 0 307.350 1.593 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000237653904 202317944 /nfs/dbraw/zinc/31/79/44/202317944.db2.gz JVYXBZOBJIAKDN-MRXNPFEDSA-N -1 0 318.304 1.604 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)nn1-c1ccccc1 ZINC000237701431 202332657 /nfs/dbraw/zinc/33/26/57/202332657.db2.gz XCHNJYFTXSNNMR-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000238082678 202437870 /nfs/dbraw/zinc/43/78/70/202437870.db2.gz BFCFBASAVNTWID-CYBMUJFWSA-N -1 0 316.357 1.111 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000491926111 304101602 /nfs/dbraw/zinc/10/16/02/304101602.db2.gz PIAFMJQZUOMCFK-VGVVRCBHSA-N -1 0 317.341 1.937 50 0 DDAARM Cc1cc(=NC(=O)NC[C@@H]2Cc3ccccc3CO2)[n-]nc1C ZINC000626385632 367517690 /nfs/dbraw/zinc/51/76/90/367517690.db2.gz QPCXEKYTACNQTO-HNNXBMFYSA-N -1 0 312.373 1.778 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000261645892 203087135 /nfs/dbraw/zinc/08/71/35/203087135.db2.gz FCLAKONJBSSAQM-GFCCVEGCSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262436226 203293495 /nfs/dbraw/zinc/29/34/95/203293495.db2.gz TTXJPPIGSTWIBU-MXWKQRLJSA-N -1 0 318.156 1.864 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000262688144 203383140 /nfs/dbraw/zinc/38/31/40/203383140.db2.gz FEITXMFYJMWRDY-UPJWGTAASA-N -1 0 317.341 1.637 50 0 DDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000262706855 203387803 /nfs/dbraw/zinc/38/78/03/203387803.db2.gz JWUOFDUTTAPXGG-NWDGAFQWSA-N -1 0 317.345 1.199 50 0 DDAARM C[C@H]1CCCN(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000020018916 182178911 /nfs/dbraw/zinc/17/89/11/182178911.db2.gz WWZGUDTZGYXSIZ-VIFPVBQESA-N -1 0 316.354 1.913 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(CC)c1 ZINC000021883847 182296144 /nfs/dbraw/zinc/29/61/44/182296144.db2.gz WSPZTZCPVLQVFU-UHFFFAOYSA-N -1 0 323.374 1.950 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000238078248 304185732 /nfs/dbraw/zinc/18/57/32/304185732.db2.gz ZPFBCWRNPVHGJE-GFCCVEGCSA-N -1 0 304.277 1.356 50 0 DDAARM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(Cl)cn1 ZINC000037436085 182893592 /nfs/dbraw/zinc/89/35/92/182893592.db2.gz KSFTZIQQVHVDAD-SNVBAGLBSA-N -1 0 311.769 1.494 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000262548461 304200694 /nfs/dbraw/zinc/20/06/94/304200694.db2.gz WLAIGPKPMWWGIX-LLVKDONJSA-N -1 0 318.354 1.736 50 0 DDAARM Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C(=O)Nc2ccccc2)cc1 ZINC000041154943 183178300 /nfs/dbraw/zinc/17/83/00/183178300.db2.gz LLCASKSWZORWBH-CQSZACIVSA-N -1 0 312.325 1.817 50 0 DDAARM CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000042161543 183237124 /nfs/dbraw/zinc/23/71/24/183237124.db2.gz FHQLHPQNNQORHP-GFCCVEGCSA-N -1 0 304.412 1.435 50 0 DDAARM O=C([O-])[C@]1(NC(=O)Cc2cn3ccsc3n2)CCSC1 ZINC000043509398 183368673 /nfs/dbraw/zinc/36/86/73/183368673.db2.gz CKUHTDBQLZYBRT-LBPRGKRZSA-N -1 0 311.388 1.015 50 0 DDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043510131 183368880 /nfs/dbraw/zinc/36/88/80/183368880.db2.gz GNKNNGJYNGHCSO-OTYXRUKQSA-N -1 0 313.350 1.670 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000268928561 207094540 /nfs/dbraw/zinc/09/45/40/207094540.db2.gz XKHRKWGXEKMIHW-YWPYICTPSA-N -1 0 317.341 1.746 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)C[C@@H]1OCCc2ccccc21 ZINC000268937113 207100950 /nfs/dbraw/zinc/10/09/50/207100950.db2.gz GZEMGQAOWKCSHT-AWEZNQCLSA-N -1 0 307.346 1.250 50 0 DDAARM O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000268936655 207102369 /nfs/dbraw/zinc/10/23/69/207102369.db2.gz ORYQIQTWZFHZCP-XIVSLSHWSA-N -1 0 316.357 1.872 50 0 DDAARM Cc1cccc2c(CC(=O)N3CCOC[C@@H]3C(=O)[O-])c[nH]c21 ZINC000268979572 207140906 /nfs/dbraw/zinc/14/09/06/207140906.db2.gz MQTWHYGAXJNZID-CYBMUJFWSA-N -1 0 302.330 1.331 50 0 DDAARM C[C@H](CCOc1ccccc1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268995086 207151696 /nfs/dbraw/zinc/15/16/96/207151696.db2.gz VIUUYEPKMVSXKL-OCCSQVGLSA-N -1 0 307.346 1.404 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)CCO1 ZINC000269047504 207196702 /nfs/dbraw/zinc/19/67/02/207196702.db2.gz UDGLTSGXAZTJCK-DGCLKSJQSA-N -1 0 305.330 1.255 50 0 DDAARM Cc1cc(C)n(-c2ccc3nnc(CCCC(=O)[O-])n3n2)n1 ZINC000061715004 184184887 /nfs/dbraw/zinc/18/48/87/184184887.db2.gz HNDCVHFSVWILCU-UHFFFAOYSA-N -1 0 300.322 1.334 50 0 DDAARM COc1ccc2c(ccn2CC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000065364662 184328817 /nfs/dbraw/zinc/32/88/17/184328817.db2.gz XVJAQDWGLWBAML-OAHLLOKOSA-N -1 0 304.346 1.875 50 0 DDAARM Cc1nnc(SCCCN2C[C@@H](C(=O)[O-])CC2=O)s1 ZINC000065410155 184340201 /nfs/dbraw/zinc/34/02/01/184340201.db2.gz ICNVPABDUJHGTE-QMMMGPOBSA-N -1 0 301.393 1.262 50 0 DDAARM CSCC[C@H](NC(=O)c1cn2cccc(C)c2n1)C(=O)[O-] ZINC000033519022 257242479 /nfs/dbraw/zinc/24/24/79/257242479.db2.gz SLZHOZQMUKEYBC-JTQLQIEISA-N -1 0 307.375 1.579 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000071280943 257253738 /nfs/dbraw/zinc/25/37/38/257253738.db2.gz OWISLOOEQCSIFW-GHMZBOCLSA-N -1 0 319.296 1.097 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000268981240 257256670 /nfs/dbraw/zinc/25/66/70/257256670.db2.gz NLWMYEWWLQFMRY-MDZLAQPJSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000268981238 257257302 /nfs/dbraw/zinc/25/73/02/257257302.db2.gz NLWMYEWWLQFMRY-GVXVVHGQSA-N -1 0 311.284 1.380 50 0 DDAARM N=c1sc(-c2ccccc2)nn1CCCCS(=O)(=O)[O-] ZINC000334157721 257261647 /nfs/dbraw/zinc/26/16/47/257261647.db2.gz UTNCIMNPCWBPBP-UHFFFAOYSA-N -1 0 313.404 1.759 50 0 DDAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C)C(=O)[O-])ccc12 ZINC000000518074 406654025 /nfs/dbraw/zinc/65/40/25/406654025.db2.gz COJKTIPDXXCMAE-NXEZZACHSA-N -1 0 319.313 1.458 50 0 biogenic DDAARM COCCCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1 ZINC000002660715 406695676 /nfs/dbraw/zinc/69/56/76/406695676.db2.gz NTYQXPOGSNNCCB-UHFFFAOYSA-N -1 0 321.782 1.452 50 0 DDAARM CCOc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)nc1OC ZINC000000390734 406646023 /nfs/dbraw/zinc/64/60/23/406646023.db2.gz OFVFPQRIJUCEIP-UHFFFAOYSA-N -1 0 324.362 1.267 50 0 DDAARM CCOc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2CCOC)cc1 ZINC000069737466 406762169 /nfs/dbraw/zinc/76/21/69/406762169.db2.gz OWEDEBNTWXEUMC-UKRRQHHQSA-N -1 0 307.346 1.706 50 0 DDAARM O=C([O-])C[C@@H]1SC(=NN=C2CCCc3ccccc32)NC1=O ZINC000004200098 406724015 /nfs/dbraw/zinc/72/40/15/406724015.db2.gz TZKUZSJGLPOSLB-LBPRGKRZSA-N -1 0 317.370 1.789 50 0 DDAARM CS(=O)(=O)c1nc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)n[n-]1 ZINC000069527950 406729821 /nfs/dbraw/zinc/72/98/21/406729821.db2.gz MVNPDDAFJCYYOM-VHSXEESVSA-N -1 0 324.337 1.090 50 0 DDAARM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)s2)C1=O ZINC000008268957 406783645 /nfs/dbraw/zinc/78/36/45/406783645.db2.gz WUDNJYLTPFIFQE-LLVKDONJSA-N -1 0 301.755 1.767 50 0 DDAARM CCCn1nc(C(=O)[N-]C2=NCCS2)c2ccccc2c1=O ZINC000008474940 406788190 /nfs/dbraw/zinc/78/81/90/406788190.db2.gz DQYGOJLCCAMWLG-UHFFFAOYSA-N -1 0 316.386 1.639 50 0 DDAARM Cc1cc(C)[nH]c(=NNS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000009315989 406807886 /nfs/dbraw/zinc/80/78/86/406807886.db2.gz VRGFPCYRCRQTQQ-UHFFFAOYSA-N -1 0 322.346 1.097 50 0 DDAARM Cc1nnc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)s1 ZINC000071185636 406833639 /nfs/dbraw/zinc/83/36/39/406833639.db2.gz PJHCMCWHULPEKE-UHFFFAOYSA-N -1 0 312.376 1.470 50 0 DDAARM NC(=O)c1cccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000013466684 406863034 /nfs/dbraw/zinc/86/30/34/406863034.db2.gz XHBJEEXHXRTIKP-AWEZNQCLSA-N -1 0 312.325 1.983 50 0 DDAARM O=C(Cc1n[nH]c(=O)c2ccccc12)[N-]OCc1ccccc1 ZINC000014201975 406873542 /nfs/dbraw/zinc/87/35/42/406873542.db2.gz IOMAILKDYDAENK-UHFFFAOYSA-N -1 0 309.325 1.714 50 0 DDAARM O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)[N-]OCc1ccccc1 ZINC000025283003 406895681 /nfs/dbraw/zinc/89/56/81/406895681.db2.gz LUCPJZNTDFUTBS-KBPBESRZSA-N -1 0 314.341 1.186 50 0 DDAARM C[C@H](c1ccncc1)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000012404543 406843847 /nfs/dbraw/zinc/84/38/47/406843847.db2.gz IZTDDJXWSQKAAY-NDPRJGJWSA-N -1 0 300.314 1.009 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)on2)cc1 ZINC000075568104 406935232 /nfs/dbraw/zinc/93/52/32/406935232.db2.gz MURISEWJCHJRJL-GFCCVEGCSA-N -1 0 304.302 1.937 50 0 DDAARM CCNC(=O)CSc1nnc(-c2ccc(C)cc2)c(=O)[n-]1 ZINC000032778610 406953284 /nfs/dbraw/zinc/95/32/84/406953284.db2.gz KVWBMFKEYXIXFJ-UHFFFAOYSA-N -1 0 304.375 1.781 50 0 DDAARM Cc1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000078601490 407035145 /nfs/dbraw/zinc/03/51/45/407035145.db2.gz AYJKBVHMQJDRAJ-UHFFFAOYSA-N -1 0 314.754 1.271 50 0 DDAARM O=C([O-])c1cccc(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)c1 ZINC000089774494 407147805 /nfs/dbraw/zinc/14/78/05/407147805.db2.gz LKWYYGZTNAAOGT-AWEZNQCLSA-N -1 0 316.357 1.260 50 0 DDAARM CC(C)(C)C(=O)NCCC(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000095350739 407208549 /nfs/dbraw/zinc/20/85/49/407208549.db2.gz LEIXLMSZAKFQSO-UHFFFAOYSA-N -1 0 320.389 1.596 50 0 DDAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000096009599 407223839 /nfs/dbraw/zinc/22/38/39/407223839.db2.gz RYFKXWWVRVGUSH-UHFFFAOYSA-N -1 0 311.411 1.988 50 0 DDAARM CCc1nc2c([N-]S(=O)(=O)c3cnn(CC)c3)cccn2n1 ZINC000065283977 407242294 /nfs/dbraw/zinc/24/22/94/407242294.db2.gz HOIHZUJNIIJGAT-UHFFFAOYSA-N -1 0 320.378 1.309 50 0 DDAARM O=S(=O)([N-]c1cnn(-c2ccccn2)c1)c1cccnc1 ZINC000096418166 407262824 /nfs/dbraw/zinc/26/28/24/407262824.db2.gz ZHHQONMXHOFGBX-UHFFFAOYSA-N -1 0 301.331 1.463 50 0 DDAARM Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000096435736 407265987 /nfs/dbraw/zinc/26/59/87/407265987.db2.gz GFLGORBFDNNYDE-UHFFFAOYSA-N -1 0 321.387 1.739 50 0 DDAARM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1n[nH]c(=O)[n-]1 ZINC000096439214 407266983 /nfs/dbraw/zinc/26/69/83/407266983.db2.gz AWOLRRAYHPLNEW-SECBINFHSA-N -1 0 321.768 1.150 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000096479525 407270979 /nfs/dbraw/zinc/27/09/79/407270979.db2.gz VUKYUNVTTIGEJQ-LLVKDONJSA-N -1 0 317.320 1.948 50 0 DDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCC3)n1 ZINC000096502835 407272990 /nfs/dbraw/zinc/27/29/90/407272990.db2.gz VOILYSWXWSQDKF-UHFFFAOYSA-N -1 0 318.402 1.968 50 0 DDAARM CCn1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cn1 ZINC000097036401 407276282 /nfs/dbraw/zinc/27/62/82/407276282.db2.gz QLMJXGHJEWRLAI-ZDUSSCGKSA-N -1 0 305.309 1.468 50 0 DDAARM CC(C)n1cc(S(=O)(=O)[N-]c2noc(C(C)(C)C)n2)cn1 ZINC000097053637 407277013 /nfs/dbraw/zinc/27/70/13/407277013.db2.gz RJPKDTRANGUROH-UHFFFAOYSA-N -1 0 313.383 1.945 50 0 DDAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1-c1cn2ccccc2n1 ZINC000097730267 407302597 /nfs/dbraw/zinc/30/25/97/407302597.db2.gz CHDANDKKCSPLGO-JTQLQIEISA-N -1 0 313.317 1.181 50 0 DDAARM CCC(Nc1ccc(OC)cc1OC)=C1C(=O)[N-]C(=O)NC1=O ZINC000101087747 407308935 /nfs/dbraw/zinc/30/89/35/407308935.db2.gz ZMUSZUXWIQXDIH-UHFFFAOYSA-N -1 0 319.317 1.146 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2Cc3cccc(F)c3O2)n1 ZINC000124180591 407350914 /nfs/dbraw/zinc/35/09/14/407350914.db2.gz SDDVXHJNJQXOBE-JTQLQIEISA-N -1 0 322.317 1.600 50 0 DDAARM C[C@H](Cc1ccccn1)NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000215078064 407480084 /nfs/dbraw/zinc/48/00/84/407480084.db2.gz AUESSXSTRKNGPK-CYBMUJFWSA-N -1 0 322.368 1.922 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257177900 407480790 /nfs/dbraw/zinc/48/07/90/407480790.db2.gz FMSXTYNLHBYXEK-AWEZNQCLSA-N -1 0 318.373 1.520 50 0 DDAARM C[C@H](CN1CCCC1=O)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170631999 407460909 /nfs/dbraw/zinc/46/09/09/407460909.db2.gz AJVDEYIKRQWRDQ-SECBINFHSA-N -1 0 319.386 1.857 50 0 DDAARM O=C([O-])CN(C(=O)/C=C\c1cnn(-c2ccccc2)c1)C1CC1 ZINC000222163016 407553182 /nfs/dbraw/zinc/55/31/82/407553182.db2.gz IRWUINLXBXSGJL-TWGQIWQCSA-N -1 0 311.341 1.961 50 0 DDAARM O=C([O-])[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccccc1 ZINC000225467357 407586557 /nfs/dbraw/zinc/58/65/57/407586557.db2.gz QIURZJPPLLLBSX-HNNXBMFYSA-N -1 0 312.325 1.359 50 0 DDAARM CSc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000221426452 407549374 /nfs/dbraw/zinc/54/93/74/407549374.db2.gz KOUNRLBJXXZJMK-LBPRGKRZSA-N -1 0 309.387 1.653 50 0 DDAARM CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])ccc21 ZINC000262107167 407741432 /nfs/dbraw/zinc/74/14/32/407741432.db2.gz JTLXZRHGFBYYGO-CYBMUJFWSA-N -1 0 317.345 1.154 50 0 DDAARM CC(C)c1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1C ZINC000236880717 407780872 /nfs/dbraw/zinc/78/08/72/407780872.db2.gz YDSTYVFJVRCVKI-UHFFFAOYSA-N -1 0 309.366 1.249 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000237282979 292453164 /nfs/dbraw/zinc/45/31/64/292453164.db2.gz KCRYFFKIJQMPKK-QWRGUYRKSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)CCO1 ZINC000262932053 407974678 /nfs/dbraw/zinc/97/46/78/407974678.db2.gz GLNWFZSHSQRLAG-MDZLAQPJSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CN2C(=O)CCc3ccccc32)C1 ZINC000136157474 408083164 /nfs/dbraw/zinc/08/31/64/408083164.db2.gz POLNQYBJKDNDSL-CYBMUJFWSA-N -1 0 316.357 1.289 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H](c2nccn2C)C2CC2)C1 ZINC000263341912 408111725 /nfs/dbraw/zinc/11/17/25/408111725.db2.gz NQVZVUBLEKZUJE-RAIGVLPGSA-N -1 0 320.393 1.623 50 0 DDAARM Cc1nnc(CNC(=O)c2ccc(C(=O)[O-])cc2)n1C1CC1 ZINC000263435292 408138735 /nfs/dbraw/zinc/13/87/35/408138735.db2.gz OKESHOXNQJTWKB-UHFFFAOYSA-N -1 0 300.318 1.550 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000263471188 408149039 /nfs/dbraw/zinc/14/90/39/408149039.db2.gz RXSFQNPKZXXABU-VIFPVBQESA-N -1 0 318.251 1.712 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C\c1nc2ccccc2o1 ZINC000316735160 409856153 /nfs/dbraw/zinc/85/61/53/409856153.db2.gz JVQWHOZDFWXGHE-GZTOBOFZSA-N -1 0 302.286 1.153 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2cncc(N3CCCC3)n2)cn1 ZINC000332407896 410134278 /nfs/dbraw/zinc/13/42/78/410134278.db2.gz IMNPAGKZGUIOBT-UHFFFAOYSA-N -1 0 319.390 1.003 50 0 DDAARM Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])C2)n1 ZINC000253388863 222249111 /nfs/dbraw/zinc/24/91/11/222249111.db2.gz JSKLBSBDTASBPH-JHJVBQTASA-N -1 0 319.361 1.751 50 0 DDAARM CC(C)[C@@H](Oc1ccccc1)C(=O)NCCCc1nnn[n-]1 ZINC000426689331 419531466 /nfs/dbraw/zinc/53/14/66/419531466.db2.gz WAGZARADBQCUMR-CQSZACIVSA-N -1 0 303.366 1.352 50 0 DDAARM Cc1cccc2[nH]c(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)nc21 ZINC000426628312 228591470 /nfs/dbraw/zinc/59/14/70/228591470.db2.gz RBDATXNKFHCNHN-WDEREUQCSA-N -1 0 301.346 1.988 50 0 DDAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000299753025 229396026 /nfs/dbraw/zinc/39/60/26/229396026.db2.gz WNVHAWWBCDRFLH-UTUOFQBUSA-N -1 0 309.387 1.862 50 0 DDAARM Cc1cccc(OCC(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000299753262 229398205 /nfs/dbraw/zinc/39/82/05/229398205.db2.gz XNEUHDHBYHUWIX-UHFFFAOYSA-N -1 0 321.373 1.856 50 0 DDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC000630255238 421991874 /nfs/dbraw/zinc/99/18/74/421991874.db2.gz HTUDISXHTSOZAD-RHSMWYFYSA-N -1 0 303.358 1.494 50 0 DDAARM CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1ccccc1F ZINC000041606168 288150462 /nfs/dbraw/zinc/15/04/62/288150462.db2.gz CBPJDXJJSNUSBK-VIFPVBQESA-N -1 0 324.337 1.519 50 0 DDAARM COc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nn1 ZINC000262317419 295094416 /nfs/dbraw/zinc/09/44/16/295094416.db2.gz CEJNAGOTXFSIJR-USWWRNFRSA-N -1 0 305.334 1.343 50 0 DDAARM COc1cc(C)ccc1OCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000376519496 302089911 /nfs/dbraw/zinc/08/99/11/302089911.db2.gz XRXLBKJCPUQOCL-GFCCVEGCSA-N -1 0 323.345 1.085 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000067840945 302494514 /nfs/dbraw/zinc/49/45/14/302494514.db2.gz NBJSLKRRXQZBNE-CYBMUJFWSA-N -1 0 317.301 1.311 50 0 DDAARM Cn1cc(C(=O)[O-])c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21 ZINC000026422067 302910111 /nfs/dbraw/zinc/91/01/11/302910111.db2.gz KVIMCXXJMJZCHK-UHFFFAOYSA-N -1 0 303.249 1.267 50 0 DDAARM O=C([O-])/C=C/C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000386845 340368307 /nfs/dbraw/zinc/36/83/07/340368307.db2.gz BZJMZJJFXJCNBL-AATRIKPKSA-N -1 0 309.749 1.791 50 0 DDAARM O=C([O-])CCc1cn(C[C@@H]2CCCN(c3cnccn3)C2)nn1 ZINC000082039337 483980902 /nfs/dbraw/zinc/98/09/02/483980902.db2.gz KKBMIAYSOMSWPJ-GFCCVEGCSA-N -1 0 316.365 1.002 50 0 DDAARM O=C([O-])CCC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000222738247 484152673 /nfs/dbraw/zinc/15/26/73/484152673.db2.gz MKMWZMPYLRNLEL-KGLIPLIRSA-N -1 0 307.346 1.342 50 0 DDAARM Cc1cn(CC(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc12 ZINC000299752012 534499937 /nfs/dbraw/zinc/49/99/37/534499937.db2.gz SJHGXINVVOBSHG-CQSZACIVSA-N -1 0 302.330 1.262 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1cc(Cl)ccc1Cl ZINC000299753191 534526063 /nfs/dbraw/zinc/52/60/63/534526063.db2.gz XEXQTFOVMWUYKS-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM CCN(CC1CCOCC1)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000426433940 528350827 /nfs/dbraw/zinc/35/08/27/528350827.db2.gz CUIDSECLMCLARZ-UHFFFAOYSA-N -1 0 310.350 1.936 50 0 DDAARM CC(C)[C@H](NC(=O)N(C)Cc1ccc2nonc2c1)C(=O)[O-] ZINC000426420096 529088623 /nfs/dbraw/zinc/08/86/23/529088623.db2.gz KTSTXBGJTGUUTG-LBPRGKRZSA-N -1 0 306.322 1.473 50 0 DDAARM CCCCc1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])nc1 ZINC000065423789 696345050 /nfs/dbraw/zinc/34/50/50/696345050.db2.gz AKNBJGJXCMYCES-GXTWGEPZSA-N -1 0 306.362 1.474 50 0 DDAARM Cc1nc(C)c(CC(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])s1 ZINC000096162001 696603810 /nfs/dbraw/zinc/60/38/10/696603810.db2.gz SUXPUCPBLSEDJX-NSHDSACASA-N -1 0 320.374 1.064 50 0 DDAARM Cc1ccccc1C=Cc1nc(SCc2nc(=O)[n-][nH]2)n[nH]1 ZINC000222120652 697756467 /nfs/dbraw/zinc/75/64/67/697756467.db2.gz NJPJXVVRFKRQOW-SREVYHEPSA-N -1 0 314.374 1.987 50 0 DDAARM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C)C1 ZINC000864095958 706066391 /nfs/dbraw/zinc/06/63/91/706066391.db2.gz PPYPFWNOIIOAPC-SECBINFHSA-N -1 0 317.338 1.242 50 0 DDAARM O=C([O-])c1cncc(N2CCC(CNC(=O)CC3CC3)CC2)n1 ZINC000952968336 721529213 /nfs/dbraw/zinc/52/92/13/721529213.db2.gz BTOOTAUTXGUAQJ-UHFFFAOYSA-N -1 0 318.377 1.308 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccc2c(c1)CCO2 ZINC000169974520 743231371 /nfs/dbraw/zinc/23/13/71/743231371.db2.gz HTUAKNGQAZMBHV-KGLIPLIRSA-N -1 0 301.342 1.905 50 0 DDAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2nnc3ccccn32)c1 ZINC000079029258 185147587 /nfs/dbraw/zinc/14/75/87/185147587.db2.gz HQSGHEOQGHIIKG-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM O=C([O-])c1ccn(-c2cccc(CNC(=O)[C@@H]3CC34CC4)c2)n1 ZINC000263080897 539276002 /nfs/dbraw/zinc/27/60/02/539276002.db2.gz BIQYNMLUVYDEGN-ZDUSSCGKSA-N -1 0 311.341 1.987 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2cc(C3CC3)n[nH]2)cn1 ZINC000095389220 185351070 /nfs/dbraw/zinc/35/10/70/185351070.db2.gz GAHIUAWNSMHYSN-OAHLLOKOSA-N -1 0 316.361 1.948 50 0 DDAARM CCOCCN(C[C@@H](C)C(=O)[O-])C(=O)CCOCC(C)C ZINC000095424518 185361400 /nfs/dbraw/zinc/36/14/00/185361400.db2.gz QKGABIFAVSHENE-CYBMUJFWSA-N -1 0 303.399 1.635 50 0 DDAARM Cc1c(C(=O)NC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cnn1C ZINC000097018833 185397990 /nfs/dbraw/zinc/39/79/90/185397990.db2.gz GFJKBKWSCFGOLG-CQSZACIVSA-N -1 0 315.373 1.710 50 0 DDAARM O=C(C=C1CCCCC1)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940561 539564738 /nfs/dbraw/zinc/56/47/38/539564738.db2.gz OECHKMSECJRFPG-MJBXVCDLSA-N -1 0 318.377 1.689 50 0 DDAARM Cn1nnc(-c2ccccc2NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071285073 190952648 /nfs/dbraw/zinc/95/26/48/190952648.db2.gz DTXISFHMFABOBH-GHMZBOCLSA-N -1 0 315.333 1.172 50 0 DDAARM Cc1ccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)cc1F ZINC000072079298 191034870 /nfs/dbraw/zinc/03/48/70/191034870.db2.gz UPLDONQGMQNVDR-GFCCVEGCSA-N -1 0 315.366 1.763 50 0 DDAARM O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccoc1 ZINC000072275867 191096752 /nfs/dbraw/zinc/09/67/52/191096752.db2.gz ZLKQIUMNLJLYHZ-UHFFFAOYSA-N -1 0 306.343 1.313 50 0 DDAARM C[C@H](NC(=O)C(=O)[O-])c1cc(F)ccc1N1CCC(O)CC1 ZINC000225608219 186282926 /nfs/dbraw/zinc/28/29/26/186282926.db2.gz LWXMWGMOHWJNDF-VIFPVBQESA-N -1 0 310.325 1.049 50 0 DDAARM O=C([O-])CN1C(=O)[C@H](Oc2ccccc2)[C@H]1c1ccccc1O ZINC000075272614 353357145 /nfs/dbraw/zinc/35/71/45/353357145.db2.gz XCUTXZYWXRZWSL-HZPDHXFCSA-N -1 0 313.309 1.808 50 0 DDAARM O=C(NCCc1csc(-c2ccccc2)n1)c1n[nH]c(=O)[n-]1 ZINC000079060546 353548610 /nfs/dbraw/zinc/54/86/10/353548610.db2.gz HCFXQDNJPUIBML-UHFFFAOYSA-N -1 0 315.358 1.194 50 0 DDAARM O=C(Cc1ccoc1)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000125360219 354045322 /nfs/dbraw/zinc/04/53/22/354045322.db2.gz SNNVPSGEGUJCKF-UHFFFAOYSA-N -1 0 306.343 1.246 50 0 DDAARM Cc1ccc(Cl)cc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000005237482 181219893 /nfs/dbraw/zinc/21/98/93/181219893.db2.gz YPDJKWYKPXJQJV-UHFFFAOYSA-N -1 0 310.766 1.858 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000005428606 181242168 /nfs/dbraw/zinc/24/21/68/181242168.db2.gz ASKYUNKQJIMTOK-NXEZZACHSA-N -1 0 303.236 1.922 50 0 DDAARM C[C@@H](O)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005426503 181242391 /nfs/dbraw/zinc/24/23/91/181242391.db2.gz LMFZAWXLAJFKLM-MEBBXXQBSA-N -1 0 304.346 1.441 50 0 DDAARM Cc1ccccc1N1C(=O)C[C@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000005603155 181262322 /nfs/dbraw/zinc/26/23/22/181262322.db2.gz ZRSKMJSVQAIDBO-AWEZNQCLSA-N -1 0 316.357 1.424 50 0 DDAARM CCc1nnc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)s1 ZINC000005911990 181295939 /nfs/dbraw/zinc/29/59/39/181295939.db2.gz PFJZSYASJYMTAV-UHFFFAOYSA-N -1 0 303.299 1.599 50 0 DDAARM COc1cc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc(OC)c1C ZINC000089534621 192812067 /nfs/dbraw/zinc/81/20/67/192812067.db2.gz JURNAHYOFWRLTI-GFCCVEGCSA-N -1 0 307.346 1.995 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@H](CC(=O)[O-])C3)c[nH]c2c1 ZINC000237871512 202375549 /nfs/dbraw/zinc/37/55/49/202375549.db2.gz MUBPCSNFOIVJAL-CYBMUJFWSA-N -1 0 316.357 1.721 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@H](C(=O)[O-])C3)c[nH]c2c1 ZINC000237871420 202376202 /nfs/dbraw/zinc/37/62/02/202376202.db2.gz ACFWOXWDSOXEEY-AWEZNQCLSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)C2 ZINC000237900857 202383695 /nfs/dbraw/zinc/38/36/95/202383695.db2.gz HZDUSNWGBBDWMC-RHSMWYFYSA-N -1 0 303.358 1.976 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000122822183 304091081 /nfs/dbraw/zinc/09/10/81/304091081.db2.gz FIKZYGHWUMWGQJ-BDAKNGLRSA-N -1 0 321.283 1.988 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC000238078175 202437052 /nfs/dbraw/zinc/43/70/52/202437052.db2.gz LPEACOFENYTTLG-NSHDSACASA-N -1 0 300.314 1.465 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000244866719 202503602 /nfs/dbraw/zinc/50/36/02/202503602.db2.gz WBENYTGRBUDCBG-AWEZNQCLSA-N -1 0 304.346 1.212 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cn2c3c(cccc3c1=O)CC2 ZINC000055358227 304113789 /nfs/dbraw/zinc/11/37/89/304113789.db2.gz MSLYVJIVQOXMGP-ZDUSSCGKSA-N -1 0 312.325 1.247 50 0 DDAARM Cc1ccc(-c2cn(Cc3n[nH]c(=O)[n-]3)nn2)c2cccnc12 ZINC000091819257 193112633 /nfs/dbraw/zinc/11/26/33/193112633.db2.gz JOKHXRBZVXCIKT-UHFFFAOYSA-N -1 0 307.317 1.261 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000268943062 304139805 /nfs/dbraw/zinc/13/98/05/304139805.db2.gz KVUJTSXJKBSTJI-QJPTWQEYSA-N -1 0 322.748 1.282 50 0 DDAARM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1COCCO1 ZINC000262350047 203271138 /nfs/dbraw/zinc/27/11/38/203271138.db2.gz BHRUVJICCKNWGZ-GFCCVEGCSA-N -1 0 313.737 1.169 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2n[nH]nc2c1 ZINC000192838757 304153023 /nfs/dbraw/zinc/15/30/23/304153023.db2.gz FEGCQQLMDCEROI-HNNXBMFYSA-N -1 0 322.324 1.610 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1CCO[C@H](C)C1 ZINC000263300427 203453418 /nfs/dbraw/zinc/45/34/18/203453418.db2.gz DDPCKEGKHNUJHP-YPMHNXCESA-N -1 0 321.373 1.867 50 0 DDAARM O=C([O-])CSCC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000017056126 182073378 /nfs/dbraw/zinc/07/33/78/182073378.db2.gz RHHQWJBUZHZDIQ-UHFFFAOYSA-N -1 0 322.430 1.191 50 0 DDAARM CCn1cc(CN(C)C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C)n1 ZINC000020606865 182237710 /nfs/dbraw/zinc/23/77/10/182237710.db2.gz VVHOCQWQVCFXRI-UONOGXRCSA-N -1 0 305.378 1.837 50 0 DDAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCC[C@H]3C(N)=O)c2c1 ZINC000020760963 182246415 /nfs/dbraw/zinc/24/64/15/182246415.db2.gz MMRUJKBACDVEFI-KBPBESRZSA-N -1 0 317.345 1.252 50 0 DDAARM O=C([O-])[C@H]1CCCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000095399986 304181642 /nfs/dbraw/zinc/18/16/42/304181642.db2.gz NAAMMCVMDYTXQH-NWDGAFQWSA-N -1 0 306.318 1.897 50 0 DDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2ccco2)c1 ZINC000024958426 182396394 /nfs/dbraw/zinc/39/63/94/182396394.db2.gz NVNVPVWSLNPZAV-UHFFFAOYSA-N -1 0 308.359 1.890 50 0 DDAARM Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000037462517 182896585 /nfs/dbraw/zinc/89/65/85/182896585.db2.gz AKESAKJUKMTKNA-JTQLQIEISA-N -1 0 301.339 1.619 50 0 DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000315026668 248844668 /nfs/dbraw/zinc/84/46/68/248844668.db2.gz WICOKUICFXVURQ-ACCCDANTSA-N -1 0 305.330 1.728 50 0 DDAARM CS(=O)(=O)[N-]C(=O)c1nn(-c2ccccc2)c2c1CCC2 ZINC000040543919 183099312 /nfs/dbraw/zinc/09/93/12/183099312.db2.gz QREBMFDKOIQCEJ-UHFFFAOYSA-N -1 0 305.359 1.050 50 0 DDAARM Cc1cccc(C)c1NC(=O)[C@H](C)Sc1n[nH]c(=O)[n-]c1=O ZINC000041606026 183209621 /nfs/dbraw/zinc/20/96/21/183209621.db2.gz BSHDCKKSYMEOSY-VIFPVBQESA-N -1 0 320.374 1.607 50 0 DDAARM O=C([O-])[C@]1(NC(=O)COc2ccc(Cl)cc2)CCSC1 ZINC000043503599 183367252 /nfs/dbraw/zinc/36/72/52/183367252.db2.gz DMFPLGBZFDWSEY-ZDUSSCGKSA-N -1 0 315.778 1.795 50 0 DDAARM COc1ccc(NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000102724701 193920543 /nfs/dbraw/zinc/92/05/43/193920543.db2.gz DIAARAGGSGZSNC-UHFFFAOYSA-N -1 0 313.317 1.328 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000268891307 207061879 /nfs/dbraw/zinc/06/18/79/207061879.db2.gz IVMQUSXXLZJCMN-UPJWGTAASA-N -1 0 317.341 1.842 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907331 207075491 /nfs/dbraw/zinc/07/54/91/207075491.db2.gz PGDRMERWVYBVBD-XPTSAGLGSA-N -1 0 317.297 1.823 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000268914706 207081784 /nfs/dbraw/zinc/08/17/84/207081784.db2.gz PLCRYPFKIHGHSB-UONOGXRCSA-N -1 0 321.348 1.711 50 0 DDAARM CC(C)(C)n1cnc(C(=O)Nc2cccc(OCC(=O)[O-])c2)n1 ZINC000579596925 422799616 /nfs/dbraw/zinc/79/96/16/422799616.db2.gz QKHVZWZBJXPAJO-UHFFFAOYSA-N -1 0 318.333 1.749 50 0 DDAARM Cc1ccccc1NC(=O)[C@@H](Cc1cccnc1)c1nnn[n-]1 ZINC000057523461 184040881 /nfs/dbraw/zinc/04/08/81/184040881.db2.gz WJAVMGKRKYTENE-ZDUSSCGKSA-N -1 0 308.345 1.868 50 0 DDAARM COc1ccc2c(CC(=O)N3CCOC[C@H]3C(=O)[O-])coc2c1 ZINC000268970229 207132431 /nfs/dbraw/zinc/13/24/31/207132431.db2.gz GQWBFTDYMJNLHO-ZDUSSCGKSA-N -1 0 319.313 1.296 50 0 DDAARM Cc1cccc(O[C@@H](C)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000269027607 207178416 /nfs/dbraw/zinc/17/84/16/207178416.db2.gz LCINRUZMKXFCRO-JSGCOSHPSA-N -1 0 307.346 1.464 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000269038082 207186629 /nfs/dbraw/zinc/18/66/29/207186629.db2.gz PLEYBYRFFLXDBP-SJKOYZFVSA-N -1 0 321.373 1.924 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000269038027 207186911 /nfs/dbraw/zinc/18/69/11/207186911.db2.gz PGPZIWHOLOIGDW-MRXNPFEDSA-N -1 0 317.345 1.153 50 0 DDAARM O=C([O-])c1nnn(-c2ccc3c(c2)OCO3)c1-c1cccnc1 ZINC000062267949 184226286 /nfs/dbraw/zinc/22/62/86/184226286.db2.gz NOELIHMVAGGUBR-UHFFFAOYSA-N -1 0 310.269 1.756 50 0 DDAARM CO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000063727156 184286683 /nfs/dbraw/zinc/28/66/83/184286683.db2.gz QWOSFGBXDNAEJU-SNVBAGLBSA-N -1 0 314.288 1.570 50 0 DDAARM Cc1cc(C)cc(NC(=O)c2c([O-])c3cnn(C)c3[nH]c2=O)c1 ZINC000065249830 184318727 /nfs/dbraw/zinc/31/87/27/184318727.db2.gz IMJWECJUIWOZCL-UHFFFAOYSA-N -1 0 312.329 1.836 50 0 DDAARM Cc1nnc(-c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)s1 ZINC000065457647 184348589 /nfs/dbraw/zinc/34/85/89/184348589.db2.gz JWMBBXIOPKVGBS-SNVBAGLBSA-N -1 0 303.343 1.951 50 0 DDAARM CCc1ccccc1NC(=O)CCN1C[C@H](C(=O)[O-])CC1=O ZINC000065526340 184359736 /nfs/dbraw/zinc/35/97/36/184359736.db2.gz NQSFBWLFFBFXNU-GFCCVEGCSA-N -1 0 304.346 1.511 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000237643815 257238732 /nfs/dbraw/zinc/23/87/32/257238732.db2.gz ZYIWQHKQSCNIHX-KRWDZBQOSA-N -1 0 314.341 1.394 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1csc2c1CCCC2 ZINC000378696674 257241685 /nfs/dbraw/zinc/24/16/85/257241685.db2.gz GJIPRPGCNXLPHS-LBPRGKRZSA-N -1 0 319.386 1.776 50 0 DDAARM O=C([O-])CN1C(=O)COc2ccc(C(=O)N3CCCCC3)cc21 ZINC000021925477 134653703 /nfs/dbraw/zinc/65/37/03/134653703.db2.gz RKJOMLBIFPLYIK-UHFFFAOYSA-N -1 0 318.329 1.123 50 0 DDAARM O=C([O-])c1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000000157194 406626362 /nfs/dbraw/zinc/62/63/62/406626362.db2.gz WGPKTSLFOQFARM-LLVKDONJSA-N -1 0 313.309 1.955 50 0 DDAARM O=C(NCc1ccncc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001323056 406665071 /nfs/dbraw/zinc/66/50/71/406665071.db2.gz KMBUVXAWYKUIEY-UHFFFAOYSA-N -1 0 321.336 1.588 50 0 DDAARM O=C(c1ccc2c(c1)C(=O)c1ccccc1-2)[C@@H](O)S(=O)(=O)[O-] ZINC000002324960 406685314 /nfs/dbraw/zinc/68/53/14/406685314.db2.gz TVZARGXMZUKYCE-HNNXBMFYSA-N -1 0 318.306 1.287 50 0 DDAARM Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)[O-] ZINC000002649906 406694695 /nfs/dbraw/zinc/69/46/95/406694695.db2.gz YLMIKFVQIAQUTR-UFUPEUMYSA-N -1 0 304.755 1.302 50 0 DDAARM O=S(=O)([N-]c1ncn(Cc2cccnc2)n1)c1ccccc1 ZINC000069581748 406737873 /nfs/dbraw/zinc/73/78/73/406737873.db2.gz BLMMFXJGIGZQBD-UHFFFAOYSA-N -1 0 315.358 1.522 50 0 DDAARM O=C(Nn1cnc2ccccc21)c1n[n-]c2ccccc2c1=O ZINC000069654982 406751545 /nfs/dbraw/zinc/75/15/45/406751545.db2.gz FNTYZFWZOZCGQQ-UHFFFAOYSA-N -1 0 305.297 1.657 50 0 DDAARM O=C(Cn1nnc2ccccc2c1=O)[N-]OCc1ccccc1 ZINC000010319305 406820988 /nfs/dbraw/zinc/82/09/88/406820988.db2.gz SVEVOXWGVYWCHI-UHFFFAOYSA-N -1 0 310.313 1.040 50 0 DDAARM Cn1cc([C@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2ccsc2)cn1 ZINC000071857703 406853687 /nfs/dbraw/zinc/85/36/87/406853687.db2.gz NGEXPHIULZDTMM-YPMHNXCESA-N -1 0 305.359 1.656 50 0 DDAARM CS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170995 406860020 /nfs/dbraw/zinc/86/00/20/406860020.db2.gz YDQJFHOKSMRKDH-LLVKDONJSA-N -1 0 311.359 1.027 50 0 DDAARM C/N=C1\S[C@H](CC(=O)[O-])C(=O)N1c1cc([N+](=O)[O-])ccc1C ZINC000017242505 406884007 /nfs/dbraw/zinc/88/40/07/406884007.db2.gz APELAFTUWRUMFN-YAWLZAOSSA-N -1 0 323.330 1.812 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000035686322 406974401 /nfs/dbraw/zinc/97/44/01/406974401.db2.gz OZHKYPAKGCGEFO-CABCVRRESA-N -1 0 313.309 1.769 50 0 DDAARM Cc1c(C(=O)Nc2nnn[n-]2)nnn1-c1ccc(F)c(Cl)c1 ZINC000066621389 407256632 /nfs/dbraw/zinc/25/66/32/407256632.db2.gz DNTPGRMTZDZFTG-UHFFFAOYSA-N -1 0 322.691 1.134 50 0 DDAARM COCc1cccc([C@H](C(=O)[O-])N(C)Cc2nnc(C)o2)c1 ZINC000095364457 407209658 /nfs/dbraw/zinc/20/96/58/407209658.db2.gz KCSJNULSJNWRIH-CQSZACIVSA-N -1 0 305.334 1.782 50 0 DDAARM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000057117727 407213924 /nfs/dbraw/zinc/21/39/24/407213924.db2.gz UQFCIAMNHLKYFK-UHFFFAOYSA-N -1 0 320.374 1.727 50 0 DDAARM COc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)cc2c1OCCO2 ZINC000095989617 407221736 /nfs/dbraw/zinc/22/17/36/407221736.db2.gz FVKVHDYZTDTLDQ-INIZCTEOSA-N -1 0 321.329 1.450 50 0 DDAARM CO[C@H](C(=O)[N-]S(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000170649747 407463530 /nfs/dbraw/zinc/46/35/30/407463530.db2.gz WOKWURYCPRZLRV-LBPRGKRZSA-N -1 0 310.331 1.008 50 0 DDAARM Cn1ccsc1=NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000254952358 407470172 /nfs/dbraw/zinc/47/01/72/407470172.db2.gz KJPCWDUHQSPGNZ-UHFFFAOYSA-N -1 0 300.343 1.719 50 0 DDAARM CC(C)(NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)C(=O)[O-] ZINC000236676178 407746342 /nfs/dbraw/zinc/74/63/42/407746342.db2.gz QGEFEDHVYQXRTQ-SECBINFHSA-N -1 0 324.764 1.672 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000262575611 407872086 /nfs/dbraw/zinc/87/20/86/407872086.db2.gz DKIQMLNCAQDHAB-ZJUUUORDSA-N -1 0 308.403 1.791 50 0 DDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)Cc1ccccc1F ZINC000238087828 407885860 /nfs/dbraw/zinc/88/58/60/407885860.db2.gz SKRRFLVMCACBCO-ZDUSSCGKSA-N -1 0 309.337 1.851 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000272391866 407897339 /nfs/dbraw/zinc/89/73/39/407897339.db2.gz HHISBBAOIDGNSU-HOSRBBHYSA-N -1 0 303.314 1.894 50 0 DDAARM O=C([O-])[C@]1(F)CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000262694173 407899919 /nfs/dbraw/zinc/89/99/19/407899919.db2.gz ASZKAFUKRQRKOZ-INIZCTEOSA-N -1 0 317.320 1.570 50 0 DDAARM Cn1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])ccc1=O ZINC000237883046 407847848 /nfs/dbraw/zinc/84/78/48/407847848.db2.gz HUPQDKFWULUZAC-AWEZNQCLSA-N -1 0 312.325 1.037 50 0 DDAARM CN(CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)Cc1cc[nH]n1 ZINC000244764072 407939284 /nfs/dbraw/zinc/93/92/84/407939284.db2.gz PAYBFWALMJBNAG-UHFFFAOYSA-N -1 0 322.752 1.832 50 0 DDAARM Cn1cc(CCC(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cn1 ZINC000263143045 408036912 /nfs/dbraw/zinc/03/69/12/408036912.db2.gz GVGQAZZBWYPTBY-UHFFFAOYSA-N -1 0 305.309 1.758 50 0 DDAARM CC[S@@](=O)c1ccccc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000263075587 408017965 /nfs/dbraw/zinc/01/79/65/408017965.db2.gz YQTVHKLAUIAEOC-WIUDPPPLSA-N -1 0 309.387 1.893 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000263337256 408110960 /nfs/dbraw/zinc/11/09/60/408110960.db2.gz WPRYBURJRXVWKR-CYBMUJFWSA-N -1 0 313.313 1.958 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000263366561 408119724 /nfs/dbraw/zinc/11/97/24/408119724.db2.gz WHSDTWWDALXXLX-ZIAGYGMSSA-N -1 0 305.330 1.116 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000263374448 408122989 /nfs/dbraw/zinc/12/29/89/408122989.db2.gz ZXOWTGCLTNXFSE-HUUCEWRRSA-N -1 0 319.357 1.506 50 0 DDAARM COC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC(C)(C)O1 ZINC000263578658 408181798 /nfs/dbraw/zinc/18/17/98/408181798.db2.gz SWJUOXDBLDYIKO-VIFPVBQESA-N -1 0 313.375 1.712 50 0 DDAARM Cn1cc(Cl)cc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000193005295 408682489 /nfs/dbraw/zinc/68/24/89/408682489.db2.gz PUGMETNGKGTVNG-UHFFFAOYSA-N -1 0 310.741 1.947 50 0 DDAARM Cc1nc(CC(C)C)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000178280505 408799083 /nfs/dbraw/zinc/79/90/83/408799083.db2.gz RYFOKXVYODGKTP-NSHDSACASA-N -1 0 312.391 1.576 50 0 DDAARM O=C(Nc1[n-]c(=O)ncc1F)c1sccc1OC(F)F ZINC000170088489 408820294 /nfs/dbraw/zinc/82/02/94/408820294.db2.gz BAOHBVHUJRTEOA-UHFFFAOYSA-N -1 0 305.237 1.824 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCC2(F)F)C[C@H]1C(=O)[O-] ZINC000263021885 163905260 /nfs/dbraw/zinc/90/52/60/163905260.db2.gz ABFSYWIEGBVMOF-KXUCPTDWSA-N -1 0 311.350 1.404 50 0 DDAARM CC1(C)CC[C@@H](CNC(=O)c2cccc(OCC(=O)[O-])c2)O1 ZINC000263575803 163987692 /nfs/dbraw/zinc/98/76/92/163987692.db2.gz POZZLBXNEMMYCE-ZDUSSCGKSA-N -1 0 307.346 1.837 50 0 DDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1cc(C)c(C)n(C)c1=O ZINC000299770590 410615174 /nfs/dbraw/zinc/61/51/74/410615174.db2.gz SVKBQMCZUBMFAT-LBPRGKRZSA-N -1 0 308.378 1.765 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000647780918 423045535 /nfs/dbraw/zinc/04/55/35/423045535.db2.gz SXUVBWNGDULMRT-RKDXNWHRSA-N -1 0 322.271 1.383 50 0 DDAARM O=C(CC1CCCCC1)NCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136125790 196521431 /nfs/dbraw/zinc/52/14/31/196521431.db2.gz XWDBVSNWORLERH-ZDUSSCGKSA-N -1 0 310.394 1.396 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2coc(-c3ccccc3)n2)CCO1 ZINC000178232410 221861353 /nfs/dbraw/zinc/86/13/53/221861353.db2.gz RKJQCPRSYMCQRK-GFCCVEGCSA-N -1 0 302.286 1.267 50 0 DDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CSCC1CC1 ZINC000426477854 419482987 /nfs/dbraw/zinc/48/29/87/419482987.db2.gz GBPCWXJQIHCPLU-ZDUSSCGKSA-N -1 0 309.387 1.647 50 0 DDAARM COc1ccc2[nH]c(C(=O)NCCCc3nnn[n-]3)c(C)c2c1 ZINC000426389207 419457460 /nfs/dbraw/zinc/45/74/60/419457460.db2.gz DSGDWYIYXGGXLQ-UHFFFAOYSA-N -1 0 314.349 1.361 50 0 DDAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)NCc2cscn2)c1 ZINC000426728164 419540793 /nfs/dbraw/zinc/54/07/93/419540793.db2.gz DCIABSSMBMLXTA-UHFFFAOYSA-N -1 0 321.358 1.514 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000299742146 229379118 /nfs/dbraw/zinc/37/91/18/229379118.db2.gz HXGSONJKOBQOPU-CHWSQXEVSA-N -1 0 316.357 1.511 50 0 DDAARM O=C([O-])CC1(NC(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)CCOCC1 ZINC000630133401 421909031 /nfs/dbraw/zinc/90/90/31/421909031.db2.gz YREBTSHCNVQGGN-NUEKZKHPSA-N -1 0 315.369 1.712 50 0 DDAARM COCCO[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000630301838 422009916 /nfs/dbraw/zinc/00/99/16/422009916.db2.gz QHXNKKDYBUFMGS-LLVKDONJSA-N -1 0 311.309 1.401 50 0 DDAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2n[nH]cc2C(=O)N(C)C)c1 ZINC000585118922 422307393 /nfs/dbraw/zinc/30/73/93/422307393.db2.gz IKTOPYGJBBENQR-UHFFFAOYSA-N -1 0 322.390 1.529 50 0 DDAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000001642751 280311990 /nfs/dbraw/zinc/31/19/90/280311990.db2.gz VUYWLCHFKCFCNH-QWRGUYRKSA-N -1 0 314.382 1.611 50 0 DDAARM COc1cc(OC)c(CN(C)Cc2nccn2C)c(C(=O)[O-])c1 ZINC000097657200 295005768 /nfs/dbraw/zinc/00/57/68/295005768.db2.gz YWKUODBTHQIDTN-UHFFFAOYSA-N -1 0 319.361 1.768 50 0 DDAARM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000337782530 301159655 /nfs/dbraw/zinc/15/96/55/301159655.db2.gz UQILAVTVRDAONF-UHFFFAOYSA-N -1 0 306.269 1.933 50 0 DDAARM Cc1cc([N-][C@]2(C(F)(F)F)N=C3SCCN3C2=O)no1 ZINC000004624954 301365724 /nfs/dbraw/zinc/36/57/24/301365724.db2.gz YYZIJSJBNYKSDZ-VIFPVBQESA-N -1 0 306.269 1.599 50 0 DDAARM CCn1nncc1/C=C/c1cc(C(=O)[O-])c2c(C)nn(C)c2n1 ZINC000579479782 308535262 /nfs/dbraw/zinc/53/52/62/308535262.db2.gz CWICUAGONLSTGH-AATRIKPKSA-N -1 0 312.333 1.757 50 0 DDAARM CSc1cccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c1 ZINC000071405406 337366900 /nfs/dbraw/zinc/36/69/00/337366900.db2.gz FTQSKAWWTCJKNT-UHFFFAOYSA-N -1 0 324.387 1.323 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1CCCO[C@H]1C ZINC000668285598 485077775 /nfs/dbraw/zinc/07/77/75/485077775.db2.gz MQOLRHCUNZHLKH-SMDDNHRTSA-N -1 0 321.373 1.867 50 0 DDAARM COc1ccccc1CC(C)(C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299748481 534015723 /nfs/dbraw/zinc/01/57/23/534015723.db2.gz HEFLYOSHDXCRBJ-CQSZACIVSA-N -1 0 321.373 1.576 50 0 DDAARM Cc1csc(N2CCC(C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2)n1 ZINC000299745310 534826117 /nfs/dbraw/zinc/82/61/17/534826117.db2.gz XUQMIMQNCDBRRY-GFCCVEGCSA-N -1 0 323.418 1.601 50 0 DDAARM CCOc1ccccc1CCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299745355 528715275 /nfs/dbraw/zinc/71/52/75/528715275.db2.gz YHGAIVIWCKBZHR-AWEZNQCLSA-N -1 0 307.346 1.330 50 0 DDAARM O=C([O-])c1ccccc1-c1nc2cc(-n3cnnn3)ccc2[nH]1 ZINC000055119394 696282052 /nfs/dbraw/zinc/28/20/52/696282052.db2.gz NHAFTDQKXHZMLJ-UHFFFAOYSA-N -1 0 306.285 1.904 50 0 DDAARM O=C([O-])CNC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 ZINC000095389891 696603224 /nfs/dbraw/zinc/60/32/24/696603224.db2.gz KLICSXYRQQXGBM-VOTSOKGWSA-N -1 0 314.297 1.746 50 0 DDAARM CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccc(F)cc1OC ZINC000585119180 771951738 /nfs/dbraw/zinc/95/17/38/771951738.db2.gz VKQQTAVTMLOHOI-UHFFFAOYSA-N -1 0 324.399 1.999 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2F)C[C@H](C)O1 ZINC000585138021 771966733 /nfs/dbraw/zinc/96/67/33/771966733.db2.gz IIPIMWZAZCCREV-DTORHVGOSA-N -1 0 317.338 1.322 50 0 DDAARM CCCn1cc(C(=O)N[C@H](Cc2ccco2)C(=O)[O-])c(C)n1 ZINC000095520383 185377014 /nfs/dbraw/zinc/37/70/14/185377014.db2.gz FRQOAXJOZFPIQY-CYBMUJFWSA-N -1 0 305.334 1.620 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)CCO3)C1 ZINC000096936568 185392989 /nfs/dbraw/zinc/39/29/89/185392989.db2.gz BFLLXCFAVVSCNQ-SDQPKGBYSA-N -1 0 301.342 1.958 50 0 DDAARM C[C@@H]1CN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C(=O)[O-] ZINC000263201367 539275994 /nfs/dbraw/zinc/27/59/94/539275994.db2.gz MLKGFDQLOBPZNN-BXKDBHETSA-N -1 0 300.318 1.264 50 0 DDAARM CCOc1ccc([C@@H](C)NC(=O)Cn2[n-]c(=O)ccc2=O)cc1 ZINC000089991094 185275368 /nfs/dbraw/zinc/27/53/68/185275368.db2.gz DQKZBFLEMYAHEW-LLVKDONJSA-N -1 0 317.345 1.225 50 0 DDAARM CCc1nnsc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000095425297 185361656 /nfs/dbraw/zinc/36/16/56/185361656.db2.gz UPYBBAMAUSPYNR-LLVKDONJSA-N -1 0 319.386 1.774 50 0 DDAARM C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000318932147 290817160 /nfs/dbraw/zinc/81/71/60/290817160.db2.gz PBIBWEIWFVTZLV-ZWNOBZJWSA-N -1 0 305.330 1.586 50 0 DDAARM NC(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1Cl ZINC000071286096 190953138 /nfs/dbraw/zinc/95/31/38/190953138.db2.gz MUSTXLKERYVFIQ-UHFFFAOYSA-N -1 0 320.692 1.179 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(COc2ccccc2F)on1 ZINC000263124667 295799823 /nfs/dbraw/zinc/79/98/23/295799823.db2.gz KYXDXKRHEPMCJX-VIFPVBQESA-N -1 0 322.292 1.938 50 0 DDAARM O=C(NCCCc1nnn[n-]1)c1cn(C2CCCCCC2)nn1 ZINC000072156245 191059311 /nfs/dbraw/zinc/05/93/11/191059311.db2.gz DKKLGJDDEICDRF-UHFFFAOYSA-N -1 0 318.385 1.049 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(F)c2Cl)CCO1 ZINC000147388052 186039341 /nfs/dbraw/zinc/03/93/41/186039341.db2.gz VWPSTGIIRJBOIM-MRVPVSSYSA-N -1 0 301.701 1.795 50 0 DDAARM CCOCC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000072231651 191078356 /nfs/dbraw/zinc/07/83/56/191078356.db2.gz FECUITUQMMOVMI-NSHDSACASA-N -1 0 311.334 1.372 50 0 DDAARM Cn1nccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181909294 186217790 /nfs/dbraw/zinc/21/77/90/186217790.db2.gz ZLVULGZEWRCPHB-NSHDSACASA-N -1 0 311.700 1.768 50 0 DDAARM C[C@H](Nc1nc(N2CCOCC2)nc(=O)[n-]1)c1ccccc1 ZINC000000344845 352109103 /nfs/dbraw/zinc/10/91/03/352109103.db2.gz ZOWKUNQFDPGCTM-NSHDSACASA-N -1 0 301.350 1.175 50 0 DDAARM CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000002983231 352110957 /nfs/dbraw/zinc/11/09/57/352110957.db2.gz XFTSMQGDJZQTIB-HUUCEWRRSA-N -1 0 320.389 1.349 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)CCCC(=O)c1ccccc1 ZINC000072420528 191156502 /nfs/dbraw/zinc/15/65/02/191156502.db2.gz GQEOKIUHYCOFMU-AWEZNQCLSA-N -1 0 319.357 1.742 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 ZINC000072447913 191168305 /nfs/dbraw/zinc/16/83/05/191168305.db2.gz CDVNRSNXZFJPMY-AWEZNQCLSA-N -1 0 317.389 1.950 50 0 DDAARM CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000001576008 180874481 /nfs/dbraw/zinc/87/44/81/180874481.db2.gz XCHVIDSCZYPFTR-YPMHNXCESA-N -1 0 322.361 1.671 50 0 DDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000002243996 180917206 /nfs/dbraw/zinc/91/72/06/180917206.db2.gz OJOCXVKXBATIDB-NSHDSACASA-N -1 0 308.334 1.306 50 0 DDAARM COc1cc(C)cc2oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c12 ZINC000002115624 180910525 /nfs/dbraw/zinc/91/05/25/180910525.db2.gz BVZFNTCBXORKHQ-UHFFFAOYSA-N -1 0 319.313 1.162 50 0 biogenic DDAARM COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003356055 181011072 /nfs/dbraw/zinc/01/10/72/181011072.db2.gz HYFHREOUADKXDP-ZETCQYMHSA-N -1 0 307.755 1.351 50 0 DDAARM O=C([O-])[C@H](c1ccsc1)N1CCN(c2ncccn2)CC1 ZINC000095365793 353912605 /nfs/dbraw/zinc/91/26/05/353912605.db2.gz BGMUOYFVZOWWHS-LBPRGKRZSA-N -1 0 304.375 1.486 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCCC(=O)[O-] ZINC000004204330 181084653 /nfs/dbraw/zinc/08/46/53/181084653.db2.gz FXBPKENYOGLSOM-SNVBAGLBSA-N -1 0 300.355 1.367 50 0 DDAARM CC[C@H](SC1=Nc2ccccc2S(=O)(=O)[N-]1)C(=O)OC ZINC000004329633 181098709 /nfs/dbraw/zinc/09/87/09/181098709.db2.gz GJJAVIFJZAHZGW-VIFPVBQESA-N -1 0 314.388 1.842 50 0 DDAARM O=C([O-])CCCn1cc(NC(=O)c2ccc3c(c2)OCO3)cn1 ZINC000004628890 181130859 /nfs/dbraw/zinc/13/08/59/181130859.db2.gz RFELLIKIQUAMGA-UHFFFAOYSA-N -1 0 317.301 1.729 50 0 DDAARM CN1CC[C@H](NC(=O)c2cc(=O)c3cccc(F)c3[n-]2)C1=O ZINC000584899244 354799020 /nfs/dbraw/zinc/79/90/20/354799020.db2.gz KCYVRCOVNAKMGL-JTQLQIEISA-N -1 0 303.293 1.040 50 0 DDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1OC ZINC000038020894 283114387 /nfs/dbraw/zinc/11/43/87/283114387.db2.gz FTTNUAXJCLXRCY-UHFFFAOYSA-N -1 0 321.782 1.834 50 0 DDAARM CC(C)N1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)CC1=O ZINC000236834716 202031868 /nfs/dbraw/zinc/03/18/68/202031868.db2.gz KEYOIPPZXHVUHS-KBPBESRZSA-N -1 0 318.373 1.576 50 0 DDAARM CCn1nc(C(C)C)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237173721 202175581 /nfs/dbraw/zinc/17/55/81/202175581.db2.gz KMKUFCPYTCDKHG-LLVKDONJSA-N -1 0 309.366 1.342 50 0 DDAARM Cc1cc(C)c(N2C[C@H](C(=O)NCCC(=O)[O-])CC2=O)c(C)c1 ZINC000178207894 198832224 /nfs/dbraw/zinc/83/22/24/198832224.db2.gz AJYFBQDBJMZXTR-CYBMUJFWSA-N -1 0 318.373 1.556 50 0 DDAARM Cc1nnc(SCC(=O)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000005886471 181292845 /nfs/dbraw/zinc/29/28/45/181292845.db2.gz OJMABDLBLRDJFI-UHFFFAOYSA-N -1 0 323.399 1.953 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccccc1 ZINC000013427802 304073989 /nfs/dbraw/zinc/07/39/89/304073989.db2.gz RSHBXJXLXWZSDR-CQSZACIVSA-N -1 0 324.340 1.764 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000237641327 202313490 /nfs/dbraw/zinc/31/34/90/202313490.db2.gz MJDAWQXGCIVEAE-INIZCTEOSA-N -1 0 321.377 1.983 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H]1CCOC1 ZINC000237936430 202397049 /nfs/dbraw/zinc/39/70/49/202397049.db2.gz XBCAVSDVJBYWQV-OTYXRUKQSA-N -1 0 320.320 1.455 50 0 DDAARM O=C(CCc1ccccc1)[N-]S(=O)(=O)c1ncccc1F ZINC000240444232 202458468 /nfs/dbraw/zinc/45/84/68/202458468.db2.gz FWUOMQIPTCSKRT-UHFFFAOYSA-N -1 0 308.334 1.658 50 0 DDAARM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1[n-]c(=O)ccc1=O ZINC000089904681 192901963 /nfs/dbraw/zinc/90/19/63/192901963.db2.gz XMUVZEINQMUFRV-SECBINFHSA-N -1 0 323.299 1.447 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1F ZINC000013087569 304106313 /nfs/dbraw/zinc/10/63/13/304106313.db2.gz TYMJQTRJEPIIBQ-JTQLQIEISA-N -1 0 305.302 1.593 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2SCCc3ccccc32)CCO1 ZINC000299750415 304131404 /nfs/dbraw/zinc/13/14/04/304131404.db2.gz NKWRNCRCMVTTAM-QWHCGFSZSA-N -1 0 307.371 1.329 50 0 DDAARM O=C([O-])C1(C(=O)N2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000253424938 202882771 /nfs/dbraw/zinc/88/27/71/202882771.db2.gz XSFOPLAPYKZRBM-UHFFFAOYSA-N -1 0 322.405 1.492 50 0 DDAARM O=C([O-])[C@@H](NS(=O)(=O)CC1CCOCC1)c1ccccc1 ZINC000261644665 203088070 /nfs/dbraw/zinc/08/80/70/203088070.db2.gz GXBTYASZEDKJQL-ZDUSSCGKSA-N -1 0 313.375 1.158 50 0 DDAARM CCc1nnsc1C(=O)N[C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000262227514 203234728 /nfs/dbraw/zinc/23/47/28/203234728.db2.gz UUTDEXSGTHLZKR-NSHDSACASA-N -1 0 321.358 1.665 50 0 DDAARM COCCOc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000262430648 203292086 /nfs/dbraw/zinc/29/20/86/203292086.db2.gz JIUFNBCTQHVVFE-AWEZNQCLSA-N -1 0 323.345 1.028 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000263020430 203429586 /nfs/dbraw/zinc/42/95/86/203429586.db2.gz QFWWJTXIHFJJQG-PJODQICGSA-N -1 0 319.357 1.786 50 0 DDAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)c1ccnc2ccccc21 ZINC000095354084 304162570 /nfs/dbraw/zinc/16/25/70/304162570.db2.gz AUCUMDXFNNTYNA-HNNXBMFYSA-N -1 0 322.324 1.782 50 0 DDAARM Cc1[n-]n2c(nc(C)c(CCO)c2=O)c1-c1ccc(F)cc1 ZINC000009935364 181648535 /nfs/dbraw/zinc/64/85/35/181648535.db2.gz SVAKEITVXHFXHW-UHFFFAOYSA-N -1 0 301.321 1.980 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)c1cccc(-n2cnnc2)n1 ZINC000021157350 182267331 /nfs/dbraw/zinc/26/73/31/182267331.db2.gz TVQCSAYOHBVRNI-UHFFFAOYSA-N -1 0 309.285 1.613 50 0 DDAARM O=C([O-])CCCc1nnc2c(=O)n(-c3ccc(F)cc3)ccn12 ZINC000021730141 182287216 /nfs/dbraw/zinc/28/72/16/182287216.db2.gz LAUJNLAGVLRVLX-UHFFFAOYSA-N -1 0 316.292 1.427 50 0 DDAARM CCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1Cl ZINC000101675390 193834891 /nfs/dbraw/zinc/83/48/91/193834891.db2.gz ZNVDXARTZRKKEP-JTQLQIEISA-N -1 0 321.724 1.709 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1sccc1Br ZINC000088374055 304200699 /nfs/dbraw/zinc/20/06/99/304200699.db2.gz VWERCZHZFXKEDP-SSDOTTSWSA-N -1 0 320.164 1.436 50 0 DDAARM Cc1ccc(OCC(=O)[N-]S(C)(=O)=O)c(Br)c1 ZINC000040543860 183099390 /nfs/dbraw/zinc/09/93/90/183099390.db2.gz LVXIOGLISSVZMX-UHFFFAOYSA-N -1 0 322.180 1.212 50 0 DDAARM CCn1c(=O)c2ccc(C(=O)NCCCOC)cc2[n-]c1=S ZINC000102175054 193864678 /nfs/dbraw/zinc/86/46/78/193864678.db2.gz KYWAIOKILPEYHC-UHFFFAOYSA-N -1 0 321.402 1.471 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2ccc3c(c2)OCCO3)CCSC1 ZINC000043508696 183367861 /nfs/dbraw/zinc/36/78/61/183367861.db2.gz DOEDIBJJXFAFTQ-CQSZACIVSA-N -1 0 309.343 1.148 50 0 DDAARM CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268956215 207120611 /nfs/dbraw/zinc/12/06/11/207120611.db2.gz VEVXIZZQUXWMLH-NTSWFWBYSA-N -1 0 308.281 1.841 50 0 DDAARM O=C(NCC[C@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000058411773 184114696 /nfs/dbraw/zinc/11/46/96/184114696.db2.gz VBABISDUXWDENV-SNVBAGLBSA-N -1 0 319.386 1.511 50 0 DDAARM Cc1ccc(-c2ccc(=O)n(Cc3n[n-]c(=S)o3)n2)cc1 ZINC000061966032 184198967 /nfs/dbraw/zinc/19/89/67/184198967.db2.gz NELPGSFXDQMRDH-UHFFFAOYSA-N -1 0 300.343 1.939 50 0 DDAARM COc1ccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1F ZINC000269060519 207209436 /nfs/dbraw/zinc/20/94/36/207209436.db2.gz ZMDRGBUZBRPJIR-LLVKDONJSA-N -1 0 311.309 1.079 50 0 DDAARM Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062132687 184207831 /nfs/dbraw/zinc/20/78/31/184207831.db2.gz VZTNCNARBWTHHB-SECBINFHSA-N -1 0 303.767 1.744 50 0 DDAARM O=C([O-])CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000269174651 207296671 /nfs/dbraw/zinc/29/66/71/207296671.db2.gz JAOKXLMAXDHARG-UHFFFAOYSA-N -1 0 316.107 1.382 50 0 DDAARM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cccc(F)c1 ZINC000065553514 184365788 /nfs/dbraw/zinc/36/57/88/184365788.db2.gz SCFOPQFTRFAMQR-UHFFFAOYSA-N -1 0 314.320 1.960 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)cc2)n1 ZINC000237701041 257238293 /nfs/dbraw/zinc/23/82/93/257238293.db2.gz SVYOUXNWJGUPRH-MRXNPFEDSA-N -1 0 315.329 1.982 50 0 DDAARM Cc1ccc(CN(C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])o1 ZINC000315374158 257242866 /nfs/dbraw/zinc/24/28/66/257242866.db2.gz CVUCMGDAPULGSR-LBPRGKRZSA-N -1 0 306.322 1.148 50 0 DDAARM CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)[O-])c2c1 ZINC000003227425 257267180 /nfs/dbraw/zinc/26/71/80/257267180.db2.gz ZLCXXWQTSCMBKW-UHFFFAOYSA-N -1 0 324.358 1.257 50 0 DDAARM Cn1cc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccsc2)cn1 ZINC000071857705 184870828 /nfs/dbraw/zinc/87/08/28/184870828.db2.gz NGEXPHIULZDTMM-AAEUAGOBSA-N -1 0 305.359 1.656 50 0 DDAARM Cc1nc(-c2ncccn2)sc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000124769940 195678342 /nfs/dbraw/zinc/67/83/42/195678342.db2.gz BOPHLOVZWQOOKX-UHFFFAOYSA-N -1 0 320.374 1.749 50 0 DDAARM COc1ccc(C)cc1/C=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000321476522 533374657 /nfs/dbraw/zinc/37/46/57/533374657.db2.gz WREHYMYVXUUUHX-YVZNUBBCSA-N -1 0 319.357 1.719 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)NC[C@@H]2CCCO2)cc1 ZINC000223100264 407564064 /nfs/dbraw/zinc/56/40/64/407564064.db2.gz JHOPMYVRGIGNHZ-HIFRSBDPSA-N -1 0 321.373 1.939 50 0 DDAARM CCN(CC)c1nc(SCC(=O)[O-])nc(N(CC)CC)n1 ZINC000000288911 406636649 /nfs/dbraw/zinc/63/66/49/406636649.db2.gz KPGCKNBKIBFHTM-UHFFFAOYSA-N -1 0 313.427 1.741 50 0 DDAARM O=C([O-])CCCC(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000000136390 406622895 /nfs/dbraw/zinc/62/28/95/406622895.db2.gz DIGGMRQJOKUONH-UHFFFAOYSA-N -1 0 320.345 1.352 50 0 DDAARM NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCC2 ZINC000000204702 406630638 /nfs/dbraw/zinc/63/06/38/406630638.db2.gz JCBSSVWNJSHAHO-UHFFFAOYSA-N -1 0 310.375 1.919 50 0 DDAARM Nc1no[n+]([O-])c1C(=O)[N-]c1ccc(Oc2ccccc2)cc1 ZINC000001428188 406667990 /nfs/dbraw/zinc/66/79/90/406667990.db2.gz KQLJCOGJNXIGOY-UHFFFAOYSA-N -1 0 312.285 1.935 50 0 DDAARM Nc1nc([N-]S(=O)(=O)c2ccccc2)nn1-c1ccccc1 ZINC000000309695 406639861 /nfs/dbraw/zinc/63/98/61/406639861.db2.gz LJXSPXYVFTXKCH-UHFFFAOYSA-N -1 0 315.358 1.650 50 0 DDAARM Cc1cc(C=O)c(C)n1N(CC(=O)[O-])C(=O)c1ccccc1 ZINC000009324261 406807698 /nfs/dbraw/zinc/80/76/98/406807698.db2.gz QRVNMMSFDFWMPA-UHFFFAOYSA-N -1 0 300.314 1.780 50 0 DDAARM Cc1cc(C)n(-c2ccc(N3CCC(C(=O)[O-])CC3)nn2)n1 ZINC000070635281 406820617 /nfs/dbraw/zinc/82/06/17/406820617.db2.gz JWNMIQUYXZRYFH-UHFFFAOYSA-N -1 0 301.350 1.580 50 0 DDAARM Cn1cc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2ccsc2)cn1 ZINC000071857702 406854293 /nfs/dbraw/zinc/85/42/93/406854293.db2.gz NGEXPHIULZDTMM-DGCLKSJQSA-N -1 0 305.359 1.656 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cnn(C(C)(C)C)c1 ZINC000072275634 406877445 /nfs/dbraw/zinc/87/74/45/406877445.db2.gz GMTBAEJXQHGIJD-OCCSQVGLSA-N -1 0 323.393 1.649 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 ZINC000072275683 406877881 /nfs/dbraw/zinc/87/78/81/406877881.db2.gz LBDHJEMVGIXLGO-FZMZJTMJSA-N -1 0 324.402 1.055 50 0 DDAARM O=C([O-])/C=C/C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000015020450 406878236 /nfs/dbraw/zinc/87/82/36/406878236.db2.gz QOOIMMZWEPKWFN-NUXDXBQRSA-N -1 0 300.358 1.485 50 0 DDAARM CC(C)CCn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)CCC3 ZINC000019818728 406886759 /nfs/dbraw/zinc/88/67/59/406886759.db2.gz HNISIIYMLGPDCG-UHFFFAOYSA-N -1 0 301.346 1.650 50 0 DDAARM COc1cccc(-c2nc(C)c(C(=O)NCC(=O)[O-])s2)c1 ZINC000012409639 406844157 /nfs/dbraw/zinc/84/41/57/406844157.db2.gz XKGSYPNMVVPPRF-UHFFFAOYSA-N -1 0 306.343 1.942 50 0 DDAARM CSc1nc2n(n1)[C@H](c1cccc(O)c1)CC(C(=O)[O-])=N2 ZINC000012390069 406844451 /nfs/dbraw/zinc/84/44/51/406844451.db2.gz RBRCIERQTITSDR-JTQLQIEISA-N -1 0 304.331 1.689 50 0 DDAARM COc1cc(C[C@@H]2CC(C(=O)[O-])=NO2)c(OC)c2c1OCO2 ZINC000012418100 406845421 /nfs/dbraw/zinc/84/54/21/406845421.db2.gz NGPHCSFRJLXORY-MRVPVSSYSA-N -1 0 309.274 1.205 50 0 DDAARM COc1cc2cc(C(=O)N[C@@H](C)C(=O)[O-])[nH]c2c(OC)c1OC ZINC000035686328 406974889 /nfs/dbraw/zinc/97/48/89/406974889.db2.gz NBDMGSBNSMTCCQ-ZETCQYMHSA-N -1 0 322.317 1.397 50 0 DDAARM C[C@H](NC(=O)CCCc1ccc(Cl)cc1)c1n[nH]c(=O)[n-]1 ZINC000077341304 406985409 /nfs/dbraw/zinc/98/54/09/406985409.db2.gz IAFUBWBUHNUQAI-VIFPVBQESA-N -1 0 308.769 1.952 50 0 DDAARM Cc1c(C(=O)[O-])nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000047844246 407082116 /nfs/dbraw/zinc/08/21/16/407082116.db2.gz ZJLZPWSCQSEPDE-UHFFFAOYSA-N -1 0 310.354 1.857 50 0 DDAARM CCC[C@H](CC(=O)[O-])NC(=O)CCNC(=O)c1ccccc1F ZINC000055242375 407197818 /nfs/dbraw/zinc/19/78/18/407197818.db2.gz UTRMFLNOTHLEIR-LLVKDONJSA-N -1 0 324.352 1.705 50 0 DDAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCCN(C)C1 ZINC000055312808 407201143 /nfs/dbraw/zinc/20/11/43/407201143.db2.gz JUFXABLZPHARER-JTQLQIEISA-N -1 0 316.379 1.001 50 0 DDAARM CCNC(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000095969687 407218546 /nfs/dbraw/zinc/21/85/46/407218546.db2.gz WUXSCZPUJJAWFV-UHFFFAOYSA-N -1 0 313.313 1.782 50 0 DDAARM O=S(=O)([N-]c1ncn(-c2ccccc2)n1)c1cccnc1 ZINC000096007303 407223695 /nfs/dbraw/zinc/22/36/95/407223695.db2.gz IHLPTQZUIWKYHM-UHFFFAOYSA-N -1 0 301.331 1.463 50 0 DDAARM O=C([O-])c1ccc(-c2noc(CN3CCC(CO)CC3)n2)cc1 ZINC000067740481 407282655 /nfs/dbraw/zinc/28/26/55/407282655.db2.gz PHCOBSBKACKYCE-UHFFFAOYSA-N -1 0 317.345 1.639 50 0 DDAARM COc1cccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[n-]2)c1 ZINC000101449775 407309531 /nfs/dbraw/zinc/30/95/31/407309531.db2.gz RXPNQAODLJUVOF-LLVKDONJSA-N -1 0 308.359 1.624 50 0 DDAARM CCc1nn2c([n-]1)nc(CSc1nccc(C)n1)cc2=O ZINC000101397292 407309713 /nfs/dbraw/zinc/30/97/13/407309713.db2.gz SXHGLGYYFLXPDZ-UHFFFAOYSA-N -1 0 302.363 1.371 50 0 DDAARM CCCc1cc(=O)n2nc(C(=O)NCc3ccccc3)[n-]c2n1 ZINC000101414307 407309752 /nfs/dbraw/zinc/30/97/52/407309752.db2.gz LLAHQMDJPVFPGG-UHFFFAOYSA-N -1 0 311.345 1.300 50 0 DDAARM COCc1nc(C)c(C(=O)[N-]S(=O)(=O)CC2CCC2)s1 ZINC000170590997 407446434 /nfs/dbraw/zinc/44/64/34/407446434.db2.gz HEBCTNWPBIFFJS-UHFFFAOYSA-N -1 0 318.420 1.458 50 0 DDAARM CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000170617518 407456657 /nfs/dbraw/zinc/45/66/57/407456657.db2.gz VERAONVRNSJGDU-UHFFFAOYSA-N -1 0 324.362 1.101 50 0 DDAARM C[C@H]1c2ccccc2O[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649827 407462682 /nfs/dbraw/zinc/46/26/82/407462682.db2.gz HNIJVDFZZGYEIK-TVQRCGJNSA-N -1 0 322.342 1.185 50 0 DDAARM C[C@@H](C(=O)[N-]S(=O)(=O)c1ncccc1F)c1ccccc1 ZINC000225393052 407581580 /nfs/dbraw/zinc/58/15/80/407581580.db2.gz MDPBPPYCXLRTJF-SNVBAGLBSA-N -1 0 308.334 1.829 50 0 DDAARM CCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000225471600 407586250 /nfs/dbraw/zinc/58/62/50/407586250.db2.gz BQATYUDTVJOFAU-JTQLQIEISA-N -1 0 301.364 1.234 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)CCO1 ZINC000218888173 407525239 /nfs/dbraw/zinc/52/52/39/407525239.db2.gz OFGAMNCNMYKILX-MDHMXLOGSA-N -1 0 301.751 1.727 50 0 DDAARM Cc1ccc(F)c(CN(C)S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000225684476 407597302 /nfs/dbraw/zinc/59/73/02/407597302.db2.gz CEVAIXVJOGNBFH-UHFFFAOYSA-N -1 0 314.304 1.963 50 0 DDAARM CC[C@@H](C)c1ccccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262163823 407756737 /nfs/dbraw/zinc/75/67/37/407756737.db2.gz VOVKNNVFQBRRGN-IUODEOHRSA-N -1 0 321.373 1.891 50 0 DDAARM C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262372754 407814079 /nfs/dbraw/zinc/81/40/79/407814079.db2.gz BCPDNTISFRWFOE-NSHDSACASA-N -1 0 310.394 1.395 50 0 DDAARM CC(=O)[N-]S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000133521839 407853686 /nfs/dbraw/zinc/85/36/86/407853686.db2.gz VOKLTGWIDJWGEU-UHFFFAOYSA-N -1 0 311.132 1.381 50 0 DDAARM O=C([O-])CCN(C(=O)c1n[nH]c2ccccc21)C1CCOCC1 ZINC000238076510 407885185 /nfs/dbraw/zinc/88/51/85/407885185.db2.gz BVGBJLDRCNYLPJ-UHFFFAOYSA-N -1 0 317.345 1.659 50 0 DDAARM Cc1ncc(C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)c(C)n1 ZINC000262907289 407967155 /nfs/dbraw/zinc/96/71/55/407967155.db2.gz JGQYLNOKBWAUCI-UHFFFAOYSA-N -1 0 317.320 1.960 50 0 DDAARM O=C([O-])[C@H]1COCCN1Cc1ccccc1Cn1cccn1 ZINC000244748486 407935523 /nfs/dbraw/zinc/93/55/23/407935523.db2.gz OILSDNVQZUCFPW-OAHLLOKOSA-N -1 0 301.346 1.217 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccc3ccoc32)C1 ZINC000263175401 408048084 /nfs/dbraw/zinc/04/80/84/408048084.db2.gz LCNJSJMLWOUWTO-LLVKDONJSA-N -1 0 309.343 1.918 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136513999 408110722 /nfs/dbraw/zinc/11/07/22/408110722.db2.gz ALEDXPBGPYYVLD-YGRLFVJLSA-N -1 0 307.394 1.681 50 0 DDAARM Cc1ccc(F)c(CN(C)C(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC000263572171 408178128 /nfs/dbraw/zinc/17/81/28/408178128.db2.gz KOELPXQEILQYQM-UHFFFAOYSA-N -1 0 306.297 1.082 50 0 DDAARM C[C@H](c1ccncc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000169619524 408820026 /nfs/dbraw/zinc/82/00/26/408820026.db2.gz IZTDDJXWSQKAAY-WNWFFLTNSA-N -1 0 300.314 1.009 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000263553329 163983673 /nfs/dbraw/zinc/98/36/73/163983673.db2.gz MLVNHCKTVRTWFK-YPMHNXCESA-N -1 0 304.346 1.361 50 0 DDAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2ncn(C)n2)c1C ZINC000408474316 164344013 /nfs/dbraw/zinc/34/40/13/164344013.db2.gz PRNSHRKJZCTTPH-UHFFFAOYSA-N -1 0 322.390 1.167 50 0 DDAARM CC(C)OCC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000049515151 418477787 /nfs/dbraw/zinc/47/77/87/418477787.db2.gz WVRXHZJWBBVBNT-UHFFFAOYSA-N -1 0 306.771 1.106 50 0 DDAARM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000060934590 418484428 /nfs/dbraw/zinc/48/44/28/418484428.db2.gz HUTRLBVVRILHSD-UHFFFAOYSA-N -1 0 323.399 2.137 50 0 DDAARM O=c1ncnc2n(Cc3nc(Cc4ccccc4)no3)[n-]cc1-2 ZINC000101037403 418493505 /nfs/dbraw/zinc/49/35/05/418493505.db2.gz DIRZIOADXMKGNZ-UHFFFAOYSA-N -1 0 308.301 1.093 50 0 DDAARM Cn1cc(C([O-])=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 ZINC000103257463 418496325 /nfs/dbraw/zinc/49/63/25/418496325.db2.gz YZZSMPLXEXAONR-UHFFFAOYSA-N -1 0 313.313 1.028 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000408513421 418805804 /nfs/dbraw/zinc/80/58/04/418805804.db2.gz AXTIXHCNAKGIBH-IHRRRGAJSA-N -1 0 305.330 1.111 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000408513422 418806218 /nfs/dbraw/zinc/80/62/18/418806218.db2.gz AXTIXHCNAKGIBH-MELADBBJSA-N -1 0 305.330 1.111 50 0 DDAARM O=C(NCCCc1nnn[n-]1)c1[nH]c2ccccc2c1Cl ZINC000426399270 419456277 /nfs/dbraw/zinc/45/62/77/419456277.db2.gz SBKZEXJBOGKCGM-UHFFFAOYSA-N -1 0 304.741 1.697 50 0 DDAARM O=C([O-])CCN(C(=O)c1cc(C2CC2)on1)C1CCOCC1 ZINC000299751869 229396035 /nfs/dbraw/zinc/39/60/35/229396035.db2.gz SANPHWWIAVELON-UHFFFAOYSA-N -1 0 308.334 1.648 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000492636461 420614187 /nfs/dbraw/zinc/61/41/87/420614187.db2.gz WLNRQPUXMYPXPB-RYWCDNDXSA-N -1 0 317.341 1.794 50 0 DDAARM CCCOc1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000492182169 421210804 /nfs/dbraw/zinc/21/08/04/421210804.db2.gz OBMPMKUUIHNIHZ-PXTSUWAFSA-N -1 0 319.357 1.801 50 0 DDAARM COCc1cccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC000653495333 423499985 /nfs/dbraw/zinc/49/99/85/423499985.db2.gz HEYKEFKQWNNJRW-UHFFFAOYSA-N -1 0 313.375 1.461 50 0 DDAARM CC(C)CN(CCC(=O)[O-])C(=O)Cn1ncc2ccccc21 ZINC000236723432 278854207 /nfs/dbraw/zinc/85/42/07/278854207.db2.gz QSWVEESGYSAJKD-UHFFFAOYSA-N -1 0 303.362 1.996 50 0 DDAARM CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000013253518 289031189 /nfs/dbraw/zinc/03/11/89/289031189.db2.gz SKESNPVHHXTKDA-KGLIPLIRSA-N -1 0 316.357 1.994 50 0 DDAARM N=c1[n-]nc(CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)o1 ZINC000355101074 298636661 /nfs/dbraw/zinc/63/66/61/298636661.db2.gz GKHSUNZYLSPEIR-HTQZYQBOSA-N -1 0 306.288 1.510 50 0 DDAARM CN1CCN(c2ccc(-c3ccc(C(=O)[O-])s3)nn2)CC1 ZINC000534642479 334305908 /nfs/dbraw/zinc/30/59/08/334305908.db2.gz FGEAYLHPVTUHFZ-UHFFFAOYSA-N -1 0 304.375 1.655 50 0 DDAARM CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000663107319 484672058 /nfs/dbraw/zinc/67/20/58/484672058.db2.gz DXKJQYIULFTNSJ-NSHDSACASA-N -1 0 303.322 1.348 50 0 DDAARM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2noc3c2CCCC3)n1 ZINC000659205200 484686458 /nfs/dbraw/zinc/68/64/58/484686458.db2.gz YXJBBRPNUAGXOE-UHFFFAOYSA-N -1 0 318.333 1.822 50 0 DDAARM O=C(C=C([O-])c1ccccc1)OCN1C(=O)C(=O)c2ccccc21 ZINC000670417526 484820193 /nfs/dbraw/zinc/82/01/93/484820193.db2.gz UASYAQKKJZOEAE-UHFFFAOYSA-N -1 0 323.304 1.990 50 0 DDAARM O=C([O-])[C@@H](NC(=O)N1CCC(O)(c2ccccc2)CC1)C1CC1 ZINC000670469831 484848161 /nfs/dbraw/zinc/84/81/61/484848161.db2.gz YHESQERRTDLOQU-AWEZNQCLSA-N -1 0 318.373 1.543 50 0 DDAARM Cn1nnc(-c2cccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071285827 518195914 /nfs/dbraw/zinc/19/59/14/518195914.db2.gz DXYAPFKQMVPLBE-QWRGUYRKSA-N -1 0 315.333 1.172 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000155797044 526274211 /nfs/dbraw/zinc/27/42/11/526274211.db2.gz NAKLHKYZDMNPHO-ZDUSSCGKSA-N -1 0 317.345 1.255 50 0 DDAARM CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000314983155 528363357 /nfs/dbraw/zinc/36/33/57/528363357.db2.gz QVGFNRNMOUBFJI-LHRNQBEKSA-N -1 0 305.330 1.411 50 0 DDAARM CCOc1ccccc1/C=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000314932503 528703557 /nfs/dbraw/zinc/70/35/57/528703557.db2.gz KWCNJYGKUBTWEC-HSBSLETESA-N -1 0 305.330 1.411 50 0 DDAARM O=C([O-])C[C@@H]1SC(=NN=C/C=C\c2ccccc2)NC1=O ZINC000390825664 563938080 /nfs/dbraw/zinc/93/80/80/563938080.db2.gz MDTSDNQPTIRIRQ-OWMMPJROSA-N -1 0 303.343 1.748 50 0 DDAARM Cc1cc2ncc(C(=O)N3C[C@@H](C(=O)[O-])CC[C@H]3C)c(C)n2n1 ZINC000263524745 698511416 /nfs/dbraw/zinc/51/14/16/698511416.db2.gz STIVYCUTALTZLH-PWSUYJOCSA-N -1 0 316.361 1.671 50 0 DDAARM O=C([O-])c1ccccc1OS(=O)(=O)c1cn2c(n1)CCCC2 ZINC000841782469 702565329 /nfs/dbraw/zinc/56/53/29/702565329.db2.gz ZNSCOKYVRZYDIG-UHFFFAOYSA-N -1 0 322.342 1.685 50 0 DDAARM CN(C)c1ncc(/C=C/C(=O)NC2(C(=O)[O-])CCCC2)cn1 ZINC000952969690 721529334 /nfs/dbraw/zinc/52/93/34/721529334.db2.gz GQJVYRMLJWYCLY-AATRIKPKSA-N -1 0 304.350 1.069 50 0 DDAARM O=c1[n-]c([C@H]2CCCN(c3ncnc4ccc(F)cc43)C2)n[nH]1 ZINC000585080951 771928199 /nfs/dbraw/zinc/92/81/99/771928199.db2.gz DPGJVJVBBVMKNR-VIFPVBQESA-N -1 0 314.324 1.977 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2cccn2)C1 ZINC000219595649 771934507 /nfs/dbraw/zinc/93/45/07/771934507.db2.gz UEFNPEMHUIHGNB-OAHLLOKOSA-N -1 0 309.366 1.003 50 0 DDAARM CO[C@@H](C)CS(=O)(=O)[N-]c1nccc(Br)c1C ZINC000585128825 771960727 /nfs/dbraw/zinc/96/07/27/771960727.db2.gz OJAYBDILVNSGRB-ZETCQYMHSA-N -1 0 323.212 1.929 50 0 DDAARM CC(C)Oc1ccc(S(=O)(=O)[N-]c2n[nH]c3ncnn23)cc1 ZINC000585129421 771961721 /nfs/dbraw/zinc/96/17/21/771961721.db2.gz IXDQCKGPCYBPIP-UHFFFAOYSA-N -1 0 322.350 1.040 50 0 DDAARM CCc1oc(C(=O)NCc2c(C)nnn2CC)cc1C(=O)[O-] ZINC000585139545 771967279 /nfs/dbraw/zinc/96/72/79/771967279.db2.gz WDANBKKFVJOKDK-UHFFFAOYSA-N -1 0 306.322 1.390 50 0 DDAARM Cc1ncc(C(=O)[O-])cc1NC(=O)c1n[nH]c2c1CCCC2 ZINC000952849308 775571203 /nfs/dbraw/zinc/57/12/03/775571203.db2.gz NYZGDYGGOJNRSW-UHFFFAOYSA-N -1 0 300.318 1.942 50 0 DDAARM CCCc1nc(C(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cs1 ZINC000095519868 185376968 /nfs/dbraw/zinc/37/69/68/185376968.db2.gz XUOCZMIOKVRKPJ-SECBINFHSA-N -1 0 308.363 1.244 50 0 DDAARM COc1ccc(C(=O)NCCC(=O)[O-])cc1Br ZINC000037415596 539031496 /nfs/dbraw/zinc/03/14/96/539031496.db2.gz QQTLIHUHLCMOMN-UHFFFAOYSA-N -1 0 302.124 1.662 50 0 in-vitro DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2cnn(C)c2)cc1OC ZINC000095391570 185351535 /nfs/dbraw/zinc/35/15/35/185351535.db2.gz PQURLSPTKSYTML-HNNXBMFYSA-N -1 0 319.361 1.695 50 0 DDAARM Cc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ncn1 ZINC000095463889 185371643 /nfs/dbraw/zinc/37/16/43/185371643.db2.gz LBIQLFXWJJICTA-HNNXBMFYSA-N -1 0 324.340 1.692 50 0 DDAARM Cc1cc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])n(C)n1 ZINC000097018774 185398112 /nfs/dbraw/zinc/39/81/12/185398112.db2.gz JHVSXLORJWNBKN-AWEZNQCLSA-N -1 0 315.373 1.710 50 0 DDAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC000097135132 185413593 /nfs/dbraw/zinc/41/35/93/185413593.db2.gz FMFUQQPCPFOSLV-UHFFFAOYSA-N -1 0 311.367 1.600 50 0 DDAARM CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000299744157 529991465 /nfs/dbraw/zinc/99/14/65/529991465.db2.gz NRSWDPRSFWTFNQ-UHFFFAOYSA-N -1 0 314.297 1.781 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC000685940776 539564672 /nfs/dbraw/zinc/56/46/72/539564672.db2.gz UWEKQLMBGIMHMD-MCIONIFRSA-N -1 0 320.393 1.769 50 0 DDAARM C[C@H](NC=C1C(=O)[N-]C(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000024979793 352193295 /nfs/dbraw/zinc/19/32/95/352193295.db2.gz OIRWQMMHOIBCHD-DPTRXVFKSA-N -1 0 317.389 1.431 50 0 DDAARM CC(C)c1nc(N2CCC(C(=O)[O-])(n3ccnc3)CC2)no1 ZINC000072432919 191165136 /nfs/dbraw/zinc/16/51/36/191165136.db2.gz ZQEPSTLWCQGIBG-UHFFFAOYSA-N -1 0 305.338 1.470 50 0 DDAARM CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]2[C@@H]1[C@H]2C(=O)[O-] ZINC000048546901 352542247 /nfs/dbraw/zinc/54/22/47/352542247.db2.gz QZAJZQPLUXEMRR-NFMARFIQSA-N -1 0 306.314 1.419 50 0 DDAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000000489081 180806623 /nfs/dbraw/zinc/80/66/23/180806623.db2.gz MPRHVYQJIDBFNO-VIFPVBQESA-N -1 0 319.313 1.324 50 0 biogenic DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C\c2ccc3c(c2)OCCO3)C1 ZINC000492124666 234392418 /nfs/dbraw/zinc/39/24/18/234392418.db2.gz MAAPIKHQDLABKP-IVZVJUQRSA-N -1 0 317.341 1.794 50 0 DDAARM COc1ccccc1S(=O)(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000003325311 181005572 /nfs/dbraw/zinc/00/55/72/181005572.db2.gz KMBCKRLSVPWYRV-VIFPVBQESA-N -1 0 319.404 1.180 50 0 DDAARM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000096595574 353915026 /nfs/dbraw/zinc/91/50/26/353915026.db2.gz IYHIUUSHYJZJMG-JSGCOSHPSA-N -1 0 318.373 1.529 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCc2ccncc2)cc1 ZINC000004054732 181067088 /nfs/dbraw/zinc/06/70/88/181067088.db2.gz RZQUAJUNSITUEI-UHFFFAOYSA-N -1 0 305.359 1.578 50 0 DDAARM Cc1ccc(C)c(NC(=O)CSc2nc(N)cc(=O)[nH]2)c1 ZINC000004634745 181130736 /nfs/dbraw/zinc/13/07/36/181130736.db2.gz PVTMUFYXJQHPSK-UHFFFAOYSA-N -1 0 304.375 1.700 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000004731383 181143922 /nfs/dbraw/zinc/14/39/22/181143922.db2.gz OTXQVQFARWTDCU-WSKFYRRCSA-N -1 0 318.329 1.175 50 0 DDAARM C[C@H](O)C(=O)Nc1ccc(I)cc1O ZINC000390833461 354642419 /nfs/dbraw/zinc/64/24/19/354642419.db2.gz HWMLLYOVRJYLJB-YFKPBYRVSA-N -1 0 307.087 1.316 50 0 DDAARM COc1cc(C=C2SC(=O)NC2=O)ccc1OCC(=O)[O-] ZINC000004966416 181180491 /nfs/dbraw/zinc/18/04/91/181180491.db2.gz IPFVZGXFAOTXQF-YHYXMXQVSA-N -1 0 309.299 1.483 50 0 DDAARM CCC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000004996495 181187474 /nfs/dbraw/zinc/18/74/74/181187474.db2.gz OLHSFTOZKYYZBC-GFCCVEGCSA-N -1 0 314.363 1.177 50 0 DDAARM CC(C)C1C(=O)N=C(SCC(=O)NCc2ccco2)N=C1[O-] ZINC000005095309 181203277 /nfs/dbraw/zinc/20/32/77/181203277.db2.gz QXGHPBWKLJTIKN-UHFFFAOYSA-N -1 0 323.374 1.600 50 0 DDAARM Cn1c([O-])c(Cc2cccc(Cl)c2Cl)c(=O)n(C)c1=O ZINC000005120086 181205529 /nfs/dbraw/zinc/20/55/29/181205529.db2.gz VSWLMJKMCUAMOM-UHFFFAOYSA-N -1 0 315.156 1.687 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)CCN1C(=O)CCc2ccccc21 ZINC000237020374 202125580 /nfs/dbraw/zinc/12/55/80/202125580.db2.gz KWPRKIWEQCHRNH-UHFFFAOYSA-N -1 0 318.373 1.679 50 0 DDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl ZINC000005996079 304074617 /nfs/dbraw/zinc/07/46/17/304074617.db2.gz BPVUFGBMXKHRQH-LLVKDONJSA-N -1 0 300.717 1.254 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237599583 202298232 /nfs/dbraw/zinc/29/82/32/202298232.db2.gz CRDWUZZKKNVYJJ-SECBINFHSA-N -1 0 309.366 1.127 50 0 DDAARM C[C@H](CN(C)C(=O)c1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000237581431 202292234 /nfs/dbraw/zinc/29/22/34/202292234.db2.gz SLNXUUDCFPWTHU-GFCCVEGCSA-N -1 0 318.373 1.602 50 0 DDAARM Cc1noc(CCCC(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000237633240 202312499 /nfs/dbraw/zinc/31/24/99/202312499.db2.gz TXQLTQSLFOEDEX-LBPRGKRZSA-N -1 0 309.366 1.947 50 0 DDAARM Cc1cccc2[nH]cc(CC(=O)N3CCO[C@H](CC(=O)[O-])C3)c21 ZINC000237736544 202342553 /nfs/dbraw/zinc/34/25/53/202342553.db2.gz NKKVPRZSJOJWDC-CYBMUJFWSA-N -1 0 316.357 1.721 50 0 DDAARM NC(=O)c1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000237752564 202345224 /nfs/dbraw/zinc/34/52/24/202345224.db2.gz QVFXCVJXDYHJME-BPNCWPANSA-N -1 0 316.357 1.643 50 0 DDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1cc(C2CC2)nn1 ZINC000237930704 202395619 /nfs/dbraw/zinc/39/56/19/202395619.db2.gz GBGCGHMVCPQCOT-LBPRGKRZSA-N -1 0 306.366 1.401 50 0 DDAARM O=C([O-])CNC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000237945093 202399715 /nfs/dbraw/zinc/39/97/15/202399715.db2.gz FHFFNHDFNIPZQK-UHFFFAOYSA-N -1 0 303.293 1.315 50 0 DDAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000238005200 202415694 /nfs/dbraw/zinc/41/56/94/202415694.db2.gz VVAFHBWBWPPAOC-CYBMUJFWSA-N -1 0 303.358 1.668 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccc(F)cc3)CC2)CCO1 ZINC000238050522 202428619 /nfs/dbraw/zinc/42/86/19/202428619.db2.gz LFXMRUWCVSYGEK-ZDUSSCGKSA-N -1 0 307.321 1.559 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000238122488 202443335 /nfs/dbraw/zinc/44/33/35/202443335.db2.gz JNXUXHORKQCCCK-CYBMUJFWSA-N -1 0 307.321 1.559 50 0 DDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCC[C@@H]1CCO ZINC000194552365 201250641 /nfs/dbraw/zinc/25/06/41/201250641.db2.gz RXXSKPCMRYAPHN-MXWKQRLJSA-N -1 0 324.343 1.357 50 0 DDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)on2)cs1 ZINC000006681531 181369835 /nfs/dbraw/zinc/36/98/35/181369835.db2.gz DACPVYSFTOZYKF-UHFFFAOYSA-N -1 0 301.349 1.205 50 0 DDAARM COc1ccc(CCc2nnc([N-]S(C)(=O)=O)s2)cc1 ZINC000006706801 181374755 /nfs/dbraw/zinc/37/47/55/181374755.db2.gz UFJDBFQAHCODIM-UHFFFAOYSA-N -1 0 313.404 1.703 50 0 DDAARM Cc1ccc(C(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)cn1 ZINC000091943437 193130293 /nfs/dbraw/zinc/13/02/93/193130293.db2.gz AVSGIYKCRNZRFN-LSDHHAIUSA-N -1 0 311.341 1.725 50 0 DDAARM O=C([O-])C1(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000262338179 203266047 /nfs/dbraw/zinc/26/60/47/203266047.db2.gz XPNULNMLTSSDCR-GFCCVEGCSA-N -1 0 318.329 1.607 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000262688145 203382774 /nfs/dbraw/zinc/38/27/74/203382774.db2.gz FEITXMFYJMWRDY-XQQFMLRXSA-N -1 0 317.341 1.637 50 0 DDAARM Cc1n[nH]c(C)c1S(=O)(=O)N1CCCCCC[C@H]1C(=O)[O-] ZINC000282643676 217147369 /nfs/dbraw/zinc/14/73/69/217147369.db2.gz DBUQBCFPOJTUMR-NSHDSACASA-N -1 0 315.395 1.435 50 0 DDAARM CCn1ncc(CNC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c1C ZINC000017054981 182072659 /nfs/dbraw/zinc/07/26/59/182072659.db2.gz QYDZQURODCMETB-CXTZMWEQSA-N -1 0 319.405 1.965 50 0 DDAARM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000019930014 182165860 /nfs/dbraw/zinc/16/58/60/182165860.db2.gz GAPPOUZCMFKATG-UHFFFAOYSA-N -1 0 307.755 1.444 50 0 DDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccc3c(c2)OCCO3)C1 ZINC000101579760 193825646 /nfs/dbraw/zinc/82/56/46/193825646.db2.gz HXNPXFJUJXRDPC-JTQLQIEISA-N -1 0 300.274 1.033 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2c(s1)CCCCC2 ZINC000088376103 304200181 /nfs/dbraw/zinc/20/01/81/304200181.db2.gz XPISEOJOFVQOGG-LLVKDONJSA-N -1 0 309.387 1.943 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000043700956 183381901 /nfs/dbraw/zinc/38/19/01/183381901.db2.gz PCPLQJVNDSKPMT-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@@H]2OCCc3ccccc32)CCSC1 ZINC000043511131 304213796 /nfs/dbraw/zinc/21/37/96/304213796.db2.gz ATTKFHVKHXEYHH-DOMZBBRYSA-N -1 0 307.371 1.377 50 0 DDAARM COc1cc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(OC)c1 ZINC000268946904 207113011 /nfs/dbraw/zinc/11/30/11/207113011.db2.gz PSRSATVMCZCUMS-CYBMUJFWSA-N -1 0 321.373 1.960 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnc(-c2ccco2)s1 ZINC000268993876 207151345 /nfs/dbraw/zinc/15/13/45/207151345.db2.gz UVZSTXNSVJZBTH-MRVPVSSYSA-N -1 0 308.315 1.329 50 0 DDAARM COc1ccccc1CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269021064 207171280 /nfs/dbraw/zinc/17/12/80/207171280.db2.gz IEFRFKNXBROSPG-ZDUSSCGKSA-N -1 0 307.346 1.330 50 0 DDAARM COc1ccc([C@H](C)C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000269023303 207172202 /nfs/dbraw/zinc/17/22/02/207172202.db2.gz JHPXIBGQEGNDBD-FZMZJTMJSA-N -1 0 307.346 1.501 50 0 DDAARM CCn1cc(Br)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062119179 184206782 /nfs/dbraw/zinc/20/67/82/184206782.db2.gz BTLUFANGEWXRBF-QMMMGPOBSA-N -1 0 315.167 1.817 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000269131119 207265169 /nfs/dbraw/zinc/26/51/69/207265169.db2.gz BJPBZRDHFMHNPD-HIFRSBDPSA-N -1 0 319.357 1.791 50 0 DDAARM Cc1cc(CNC(=O)N[C@](C)(C(=O)[O-])c2ccc(F)cc2)on1 ZINC000065554049 184365777 /nfs/dbraw/zinc/36/57/77/184365777.db2.gz OEDWUVGIAIIXDD-HNNXBMFYSA-N -1 0 321.308 1.921 50 0 DDAARM CCOC(=O)N=c1[n-]nc(Sc2cc(C)nc(N)n2)s1 ZINC000069564174 184526187 /nfs/dbraw/zinc/52/61/87/184526187.db2.gz FMOIKNZBWCHCHZ-UHFFFAOYSA-N -1 0 312.380 1.938 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000328595426 533231405 /nfs/dbraw/zinc/23/14/05/533231405.db2.gz UXLHKQIVQHSLRQ-YVZNUBBCSA-N -1 0 321.329 1.029 50 0 DDAARM Cc1cc(Cl)ccc1OCCCNC(=O)c1n[nH]c(=O)[n-]1 ZINC000071889238 184890130 /nfs/dbraw/zinc/89/01/30/184890130.db2.gz WGFOTOZYIFRLMM-UHFFFAOYSA-N -1 0 310.741 1.259 50 0 DDAARM COc1cc2c(cc1OC)[C@H]([N-]C(=O)C(F)(F)F)C[C@H]2O ZINC000001394841 286260488 /nfs/dbraw/zinc/26/04/88/286260488.db2.gz JISVZQDTSKRCPM-RKDXNWHRSA-N -1 0 305.252 1.861 50 0 DDAARM Nc1ccc(S(=O)(=O)c2ccc(NCC(=O)[O-])cc2)cc1 ZINC000000000862 406614581 /nfs/dbraw/zinc/61/45/81/406614581.db2.gz FKKUMFTYSTZUJG-UHFFFAOYSA-N -1 0 306.343 1.598 50 0 in-man DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc2c(c1)CCO2 ZINC000069571104 406737547 /nfs/dbraw/zinc/73/75/47/406737547.db2.gz YYLWRGGDXVZUIC-XJKSGUPXSA-N -1 0 319.357 1.632 50 0 DDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccccc1Br ZINC000002959989 406708287 /nfs/dbraw/zinc/70/82/87/406708287.db2.gz AQYURAJHZZPYKN-UHFFFAOYSA-N -1 0 308.153 1.300 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=S)NNC(C)(C)C)cc1 ZINC000003129066 406711410 /nfs/dbraw/zinc/71/14/10/406711410.db2.gz LPOQPBAPDGIRHB-UHFFFAOYSA-N -1 0 301.437 1.451 50 0 DDAARM C[C@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000009341806 406808005 /nfs/dbraw/zinc/80/80/05/406808005.db2.gz WPEAKTAHSBZMQO-UWVGGRQHSA-N -1 0 300.355 1.223 50 0 DDAARM Cn1nnc(-c2cccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071285828 406837689 /nfs/dbraw/zinc/83/76/89/406837689.db2.gz DXYAPFKQMVPLBE-MNOVXSKESA-N -1 0 315.333 1.172 50 0 DDAARM C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccncc1 ZINC000013072276 406858118 /nfs/dbraw/zinc/85/81/18/406858118.db2.gz PWRYCDKPYMIPJO-SECBINFHSA-N -1 0 324.333 1.958 50 0 DDAARM CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000013255247 406859668 /nfs/dbraw/zinc/85/96/68/406859668.db2.gz VNKNTAYQELMPHE-OLZOCXBDSA-N -1 0 323.370 1.696 50 0 DDAARM CC(=O)NC(=C([O-])c1cccs1)S(=O)(=O)c1ccccc1 ZINC000027015421 406907869 /nfs/dbraw/zinc/90/78/69/406907869.db2.gz IZXCLNNBEPWDMC-AWEZNQCLSA-N -1 0 323.395 1.867 50 0 DDAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000012403839 406843675 /nfs/dbraw/zinc/84/36/75/406843675.db2.gz MTHOJGOAXGZCDV-CYBMUJFWSA-N -1 0 320.345 1.399 50 0 DDAARM CCOC(=O)c1nnc(C(=O)[N-]c2nnc(CC)s2)s1 ZINC000034927211 406965482 /nfs/dbraw/zinc/96/54/82/406965482.db2.gz HOFMVQRDWGIOJM-UHFFFAOYSA-N -1 0 313.364 1.381 50 0 DDAARM O=C([O-])/C=C\C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000028187629 406915926 /nfs/dbraw/zinc/91/59/26/406915926.db2.gz DAFSCTZJTKKQFA-FWWRYZNZSA-N -1 0 318.329 1.175 50 0 DDAARM CCO[N-]C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000032845265 406954515 /nfs/dbraw/zinc/95/45/15/406954515.db2.gz VUKXVSJOTFHGHG-UHFFFAOYSA-N -1 0 322.386 1.528 50 0 DDAARM CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000037414579 406988252 /nfs/dbraw/zinc/98/82/52/406988252.db2.gz UJVHLUFDHZXNJW-DGCLKSJQSA-N -1 0 313.375 1.019 50 0 DDAARM O=C([O-])C1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000037433247 406989505 /nfs/dbraw/zinc/98/95/05/406989505.db2.gz HQBNJSSKVHMIDR-CYBMUJFWSA-N -1 0 309.749 1.967 50 0 DDAARM O=S(=O)(CCc1ccncc1)[N-]c1n[nH]c2ccccc21 ZINC000054433051 407184343 /nfs/dbraw/zinc/18/43/43/407184343.db2.gz QCRWOWAMBUAYNZ-UHFFFAOYSA-N -1 0 302.359 1.942 50 0 DDAARM C/C(=C\C(=O)[N-]S(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000096291649 407257991 /nfs/dbraw/zinc/25/79/91/407257991.db2.gz BODGLCNSVQEEEH-JXMROGBWSA-N -1 0 323.349 1.468 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(-c3cc[nH]n3)cc2)CCOCC1 ZINC000095377019 407211082 /nfs/dbraw/zinc/21/10/82/407211082.db2.gz IYMKESRWNLTEGV-UHFFFAOYSA-N -1 0 315.329 1.440 50 0 DDAARM Cc1ccc2c(c1)[N-]N=C(C(=O)N1CCC(C)CC1)S2(=O)=O ZINC000065183406 407240533 /nfs/dbraw/zinc/24/05/33/407240533.db2.gz VVHXUYINSXFQOS-UHFFFAOYSA-N -1 0 321.402 1.766 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)n(C)n1 ZINC000066247799 407247328 /nfs/dbraw/zinc/24/73/28/407247328.db2.gz UAMPXNFDVATBHW-UHFFFAOYSA-N -1 0 319.342 1.636 50 0 DDAARM C[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)CC(=O)[O-] ZINC000097045148 407276987 /nfs/dbraw/zinc/27/69/87/407276987.db2.gz AHYIEUGLLHPPJZ-GFCCVEGCSA-N -1 0 301.346 1.772 50 0 DDAARM C[C@@H]1C[C@@H]1c1cc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)n[nH]1 ZINC000097162485 407283812 /nfs/dbraw/zinc/28/38/12/407283812.db2.gz QWELWJSYCPFDEA-SFYZADRCSA-N -1 0 312.333 1.360 50 0 DDAARM COCCCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000100447687 407307835 /nfs/dbraw/zinc/30/78/35/407307835.db2.gz OXVFKRGPVCYGLG-UHFFFAOYSA-N -1 0 308.359 1.508 50 0 DDAARM 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/nfs/dbraw/zinc/98/48/38/421984838.db2.gz IKXIRNOCNRYQLC-FKGLVLAHSA-N -1 0 321.373 1.621 50 0 DDAARM COc1ccc2c(c1)[n-]cc(C(=O)N=c1sccn1C)c2=O ZINC000606442492 422459902 /nfs/dbraw/zinc/45/99/02/422459902.db2.gz MDWLGWRMAGEOKS-UHFFFAOYSA-N -1 0 315.354 1.678 50 0 DDAARM COc1cncnc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653546047 423521317 /nfs/dbraw/zinc/52/13/17/423521317.db2.gz WFWYXOFXBKTIOI-LPEHRKFASA-N -1 0 322.365 1.742 50 0 DDAARM COc1ccc([C@@H](NC(=O)Cn2cc(C)cn2)C(=O)[O-])cc1 ZINC000345777950 272332047 /nfs/dbraw/zinc/33/20/47/272332047.db2.gz MYZKPGJGEIUDDH-CQSZACIVSA-N -1 0 303.318 1.142 50 0 DDAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C)N1c1ccccc1 ZINC000006388370 276177683 /nfs/dbraw/zinc/17/76/83/276177683.db2.gz IYQDXLCAQMOJOP-UHFFFAOYSA-N -1 0 309.325 1.977 50 0 DDAARM CC(=O)N1[C@@H](C(=O)[O-])CSC12CCC1(CC2)OCCO1 ZINC000008925749 278075137 /nfs/dbraw/zinc/07/51/37/278075137.db2.gz DRJNLRQDAAQYMU-SNVBAGLBSA-N -1 0 301.364 1.048 50 0 DDAARM CC(=O)Nc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000000974429 278187059 /nfs/dbraw/zinc/18/70/59/278187059.db2.gz BUPPIMABSWJPAR-IZZDOVSWSA-N -1 0 320.326 1.766 50 0 DDAARM CCC(=O)N[C@@]([N-]c1nccs1)(C(=O)OC)C(F)(F)F ZINC000015202606 281950395 /nfs/dbraw/zinc/95/03/95/281950395.db2.gz GODGBHYZGBEZLT-SECBINFHSA-N -1 0 311.285 1.513 50 0 DDAARM CN(C)[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)c1cccc(F)c1 ZINC000095503496 289272327 /nfs/dbraw/zinc/27/23/27/289272327.db2.gz ROBFDCRJNGFPFK-CYBMUJFWSA-N -1 0 308.353 1.942 50 0 DDAARM C[C@H](c1ccccn1)N(C)Cc1cnc(NCC(=O)[O-])nc1 ZINC000534649389 334317058 /nfs/dbraw/zinc/31/70/58/334317058.db2.gz ROZJYAGLZBRGHK-LLVKDONJSA-N -1 0 301.350 1.561 50 0 DDAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@](C)(C(F)F)O1 ZINC000663144795 484701864 /nfs/dbraw/zinc/70/18/64/484701864.db2.gz PRDBAJVDYHKJDQ-RMLUDKJBSA-N -1 0 314.288 1.665 50 0 DDAARM COc1ccccc1CCN1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC000390834910 490779560 /nfs/dbraw/zinc/77/95/60/490779560.db2.gz 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/nfs/dbraw/zinc/07/99/24/696079924.db2.gz JBEMKLLRQXGZDN-LBPRGKRZSA-N -1 0 311.359 1.314 50 0 DDAARM CC(C)n1cncc1CN1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072163155 696393537 /nfs/dbraw/zinc/39/35/37/696393537.db2.gz VKWMHHIVBDHCKL-UHFFFAOYSA-N -1 0 317.393 1.694 50 0 DDAARM CC(=O)N1CCC(CC(=O)[O-])(N2Cc3ccccc3C2=O)CC1 ZINC000950756016 720766702 /nfs/dbraw/zinc/76/67/02/720766702.db2.gz WCTICHMZFKNPLZ-UHFFFAOYSA-N -1 0 316.357 1.498 50 0 DDAARM COc1cccc(C)c1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000952976575 721530635 /nfs/dbraw/zinc/53/06/35/721530635.db2.gz RZAGRYSPCMUTAW-NSHDSACASA-N -1 0 303.318 1.152 50 0 DDAARM Cc1nc([N-]S(=O)(=O)c2c[nH]cn2)ccc1Br ZINC000078949534 185133652 /nfs/dbraw/zinc/13/36/52/185133652.db2.gz SWDQMWCUWJSRFF-UHFFFAOYSA-N -1 0 317.168 1.676 50 0 DDAARM CCn1cc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C(N)=O)n1 ZINC000278699079 214336161 /nfs/dbraw/zinc/33/61/61/214336161.db2.gz RWYVCRNMZRIIMT-UHFFFAOYSA-N -1 0 322.390 1.420 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1ccc(Cl)s1 ZINC000088374238 185247571 /nfs/dbraw/zinc/24/75/71/185247571.db2.gz CGDDEGDLYLWTIW-LXOKAJLYSA-N -1 0 301.751 1.727 50 0 DDAARM Cc1ccn2c(c1)n[n-]c2=NC(=O)Cc1noc2ccccc12 ZINC000088253540 185243793 /nfs/dbraw/zinc/24/37/93/185243793.db2.gz QERWSSFAXLZWIM-UHFFFAOYSA-N -1 0 307.313 1.782 50 0 DDAARM CC(C)(C)/C=C/[C@@H](C(=O)[O-])N1CCN(c2cnccn2)CC1 ZINC000095391195 185351405 /nfs/dbraw/zinc/35/14/05/185351405.db2.gz HVBUAVVTJMAMLC-IHVVCDCBSA-N -1 0 304.394 1.654 50 0 DDAARM CC[C@](C)(NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)[O-] ZINC000095424532 185361360 /nfs/dbraw/zinc/36/13/60/185361360.db2.gz BONUXYHUNUJNFM-HNNXBMFYSA-N -1 0 304.350 1.995 50 0 DDAARM Cc1cc(Br)oc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000095425597 185361618 /nfs/dbraw/zinc/36/16/18/185361618.db2.gz SITCVIGABNVKIW-NSHDSACASA-N -1 0 320.114 1.989 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@H]2OCCc3ccccc32)n1 ZINC000170000592 197763667 /nfs/dbraw/zinc/76/36/67/197763667.db2.gz JVTHHQVPIZRVQJ-ZDUSSCGKSA-N -1 0 318.354 1.772 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C)c2F)C1 ZINC000685940473 539564291 /nfs/dbraw/zinc/56/42/91/539564291.db2.gz BMRBYPOJZAQWKW-JQWIXIFHSA-N -1 0 322.336 1.186 50 0 DDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cc[nH]n2)c1 ZINC000071498725 190985208 /nfs/dbraw/zinc/98/52/08/190985208.db2.gz KAODVYDKMRJOLE-UHFFFAOYSA-N -1 0 309.347 1.462 50 0 DDAARM O=C([O-])c1ccc(CCNC(=O)c2ccc3n[nH]nc3c2)cc1 ZINC000072235956 191081116 /nfs/dbraw/zinc/08/11/16/191081116.db2.gz HFLOLVRBMPTIPB-UHFFFAOYSA-N -1 0 310.313 1.629 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CSc2ncccn2)cc1 ZINC000002699386 180947545 /nfs/dbraw/zinc/94/75/45/180947545.db2.gz CZUVFMFBISHATC-UHFFFAOYSA-N -1 0 303.343 1.583 50 0 DDAARM Nc1nonc1-n1nnc(C(=O)[O-])c1-c1ccc(Cl)cc1 ZINC000004281566 181093155 /nfs/dbraw/zinc/09/31/55/181093155.db2.gz CLRVYAVIEOHTIZ-UHFFFAOYSA-N -1 0 306.669 1.251 50 0 DDAARM NC(=O)c1c(Cl)cccc1[N-]S(=O)(=O)c1cccnc1 ZINC000194823784 354295093 /nfs/dbraw/zinc/29/50/93/354295093.db2.gz YCUIHJPKVCEPDG-UHFFFAOYSA-N -1 0 311.750 1.635 50 0 DDAARM Cc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)nc2ccccc12 ZINC000195567969 354298032 /nfs/dbraw/zinc/29/80/32/354298032.db2.gz ASBSTRALXTZEEU-LLVKDONJSA-N -1 0 310.361 1.932 50 0 DDAARM COc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(O)c1 ZINC000182100664 354272044 /nfs/dbraw/zinc/27/20/44/354272044.db2.gz OFEFJFISGWUCLP-GFCCVEGCSA-N -1 0 302.334 1.886 50 0 DDAARM CC(C)(C)c1nc(C(=O)NCCn2cc(C(=O)[O-])nn2)cs1 ZINC000585134055 354811253 /nfs/dbraw/zinc/81/12/53/354811253.db2.gz BNOCKXQJEZXTCV-UHFFFAOYSA-N -1 0 323.378 1.160 50 0 DDAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)NCc1ccccc1 ZINC000004978045 181183188 /nfs/dbraw/zinc/18/31/88/181183188.db2.gz NZSKLZIUWKPNGH-AWEZNQCLSA-N -1 0 302.330 1.529 50 0 DDAARM O=C([O-])CCN(C(=O)c1cccc2c1OCO2)C1CCOCC1 ZINC000299749306 304052129 /nfs/dbraw/zinc/05/21/29/304052129.db2.gz JWZZPDQBJXQYNA-UHFFFAOYSA-N -1 0 321.329 1.511 50 0 DDAARM CC[C@H]1C(=O)NCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000236958464 202093317 /nfs/dbraw/zinc/09/33/17/202093317.db2.gz WUAWVALIINBMOS-ZDUSSCGKSA-N -1 0 304.346 1.054 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc(OC[C@@H]2CCCO2)c1)C1CC1 ZINC000268886913 304065718 /nfs/dbraw/zinc/06/57/18/304065718.db2.gz CIGOXCTVBNKKAM-HNNXBMFYSA-N -1 0 319.357 1.934 50 0 DDAARM Cc1cc(C(=O)Nc2cccc(C(=O)NCC(=O)[O-])c2)no1 ZINC000089600976 192824812 /nfs/dbraw/zinc/82/48/12/192824812.db2.gz NGHMQPIAYDVSFK-UHFFFAOYSA-N -1 0 303.274 1.050 50 0 DDAARM C[C@H](NC(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC000237542753 202276674 /nfs/dbraw/zinc/27/66/74/202276674.db2.gz LYVLPLMMQIEAKX-GZMMTYOYSA-N -1 0 310.737 1.282 50 0 DDAARM Cc1nc(-c2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)co2)cs1 ZINC000237789489 202356136 /nfs/dbraw/zinc/35/61/36/202356136.db2.gz VXLGMIJOFTWGNX-GFCCVEGCSA-N -1 0 322.342 1.637 50 0 DDAARM NC(=O)C1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CC1 ZINC000237858402 202371697 /nfs/dbraw/zinc/37/16/97/202371697.db2.gz NJRPUYXAJWNBIE-ZZXKWVIFSA-N -1 0 302.330 1.122 50 0 DDAARM Cc1cnn(-c2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2)c1 ZINC000237914322 202390661 /nfs/dbraw/zinc/39/06/61/202390661.db2.gz SOCUOGQMRCQSMZ-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCO1 ZINC000238194921 202449615 /nfs/dbraw/zinc/44/96/15/202449615.db2.gz ZXZZGKVZWRFPPM-CQSZACIVSA-N -1 0 303.358 1.711 50 0 DDAARM Cn1nccc1/C=C\C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000271956779 209338092 /nfs/dbraw/zinc/33/80/92/209338092.db2.gz CATOLQDMNJKVOU-BXLATTBBSA-N -1 0 303.362 1.678 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000268956840 304104921 /nfs/dbraw/zinc/10/49/21/304104921.db2.gz ZAGNJVAPQIKRFS-NSHDSACASA-N -1 0 301.302 1.002 50 0 DDAARM Cc1cc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)on1 ZINC000091562995 193073169 /nfs/dbraw/zinc/07/31/69/193073169.db2.gz CGLABOXFRQVGDF-CHWSQXEVSA-N -1 0 315.329 1.247 50 0 DDAARM COc1cccc(-n2ccnc2SCc2n[nH]c(=O)[n-]2)c1 ZINC000091577334 193074707 /nfs/dbraw/zinc/07/47/07/193074707.db2.gz CLCYEZPXJHMMNG-UHFFFAOYSA-N -1 0 303.347 1.585 50 0 DDAARM CN(CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)Cc1ccncc1 ZINC000091707964 193095120 /nfs/dbraw/zinc/09/51/20/193095120.db2.gz KUJVDNYKHNETIF-LSDHHAIUSA-N -1 0 317.389 1.083 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2S(C)(=O)=O)C1 ZINC000262170343 203218627 /nfs/dbraw/zinc/21/86/27/203218627.db2.gz FBGQZHDTYOVVMM-AWEZNQCLSA-N -1 0 311.359 1.027 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000262449433 203297231 /nfs/dbraw/zinc/29/72/31/203297231.db2.gz WFDCKRAZCYXGLG-OLZOCXBDSA-N -1 0 307.321 1.668 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cc(F)cc(Br)c1 ZINC000262395144 203283879 /nfs/dbraw/zinc/28/38/79/203283879.db2.gz AXJOXBSKEYKKFB-NXEZZACHSA-N -1 0 316.126 1.925 50 0 DDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)Cn1ncc3ccccc31)CC2 ZINC000262485210 203306503 /nfs/dbraw/zinc/30/65/03/203306503.db2.gz VIQLNONBZKDWLI-ZDUSSCGKSA-N -1 0 313.357 1.750 50 0 DDAARM C[C@@]1(NC(=O)c2ccc3n[nH]nc3c2)CCCC[C@@H]1C(=O)[O-] ZINC000262707372 203386934 /nfs/dbraw/zinc/38/69/34/203386934.db2.gz BULGUNHYUNELAE-MEBBXXQBSA-N -1 0 302.334 1.721 50 0 DDAARM CSc1nn2c([n-]1)nc(CSc1nccc(C)n1)cc2=O ZINC000009304223 181612534 /nfs/dbraw/zinc/61/25/34/181612534.db2.gz FORGXOPDVCKKHV-UHFFFAOYSA-N -1 0 320.403 1.943 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCN2CCc3ccccc32)C1 ZINC000097307715 193706135 /nfs/dbraw/zinc/70/61/35/193706135.db2.gz KCBHEKAONVJDRO-UONOGXRCSA-N -1 0 302.374 1.666 50 0 DDAARM Cc1ccc(O)c([N-]S(=O)(=O)c2csc(C(N)=O)c2)c1 ZINC000016650118 182055962 /nfs/dbraw/zinc/05/59/62/182055962.db2.gz MRJZPBKIMCMQAV-UHFFFAOYSA-N -1 0 312.372 1.662 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000021883835 182296106 /nfs/dbraw/zinc/29/61/06/182296106.db2.gz NVSOVVZKOBKCLQ-UHFFFAOYSA-N -1 0 309.347 1.696 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)COc2ccc(Cl)cc2)CCSC1 ZINC000043503597 183367391 /nfs/dbraw/zinc/36/73/91/183367391.db2.gz DMFPLGBZFDWSEY-CYBMUJFWSA-N -1 0 315.778 1.795 50 0 DDAARM Cc1cccc(OCCC(=O)N2CCOC[C@H]2C(=O)[O-])c1C ZINC000268995125 207150626 /nfs/dbraw/zinc/15/06/26/207150626.db2.gz VQTDTMDXEIGMOY-ZDUSSCGKSA-N -1 0 307.346 1.384 50 0 DDAARM Cn1cc(Br)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117613 184206301 /nfs/dbraw/zinc/20/63/01/184206301.db2.gz ZODSIXZGUUTLBA-ZETCQYMHSA-N -1 0 301.140 1.334 50 0 DDAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000065364952 184328757 /nfs/dbraw/zinc/32/87/57/184328757.db2.gz YIMQCHHIXZLWRH-UHFFFAOYSA-N -1 0 324.333 1.734 50 0 DDAARM COc1ccccc1[C@@H](C)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299748938 532963367 /nfs/dbraw/zinc/96/33/67/532963367.db2.gz IOAAARSFMNEHAB-FZMZJTMJSA-N -1 0 307.346 1.501 50 0 DDAARM COc1ccc([C@H](C)CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299745721 533150765 /nfs/dbraw/zinc/15/07/65/533150765.db2.gz SCWDULAITJXTHG-RISCZKNCSA-N -1 0 307.346 1.501 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000361973321 257236238 /nfs/dbraw/zinc/23/62/38/257236238.db2.gz BIHIPOPMPKONMI-UZYOAWRESA-N -1 0 312.325 1.560 50 0 DDAARM CSCC[C@H](NC(=O)N(C)Cc1nccs1)C(=O)[O-] ZINC000388887254 257241967 /nfs/dbraw/zinc/24/19/67/257241967.db2.gz RGQAGCGBLOYPTK-QMMMGPOBSA-N -1 0 303.409 1.491 50 0 DDAARM CSCC[C@@H](NC(=O)c1cn2cccc(C)c2n1)C(=O)[O-] ZINC000033519021 257242385 /nfs/dbraw/zinc/24/23/85/257242385.db2.gz SLZHOZQMUKEYBC-SNVBAGLBSA-N -1 0 307.375 1.579 50 0 DDAARM O=S1(=O)CC[C@H]([N-]C(=S)SCc2ccccc2)C1 ZINC000003681348 257267477 /nfs/dbraw/zinc/26/74/77/257267477.db2.gz HSRGRKZNBDYQSY-NSHDSACASA-N -1 0 301.458 1.981 50 0 DDAARM Cc1ccc(C(=O)NCc2cccc(OCC(=O)[O-])c2)n1C ZINC000124713039 195671568 /nfs/dbraw/zinc/67/15/68/195671568.db2.gz SJKBKFMBUTVLCD-UHFFFAOYSA-N -1 0 302.330 1.727 50 0 DDAARM Cc1[nH]nc([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)c1CC(C)C ZINC000328590543 533672178 /nfs/dbraw/zinc/67/21/78/533672178.db2.gz ZBZJGSOJGGSBST-SNVBAGLBSA-N -1 0 316.427 1.135 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000000067529 406618963 /nfs/dbraw/zinc/61/89/63/406618963.db2.gz XBPDGFOSOHNQBQ-UHFFFAOYSA-N -1 0 320.370 1.720 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000000166159 406626852 /nfs/dbraw/zinc/62/68/52/406626852.db2.gz AFNBBRUKSKERPY-CQSZACIVSA-N -1 0 321.354 1.799 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001678275 406674008 /nfs/dbraw/zinc/67/40/08/406674008.db2.gz YPXHSERXWVIZGK-FZMZJTMJSA-N -1 0 322.361 1.528 50 0 DDAARM O=C([O-])COc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1 ZINC000001853222 406679238 /nfs/dbraw/zinc/67/92/38/406679238.db2.gz OVTYPCLFBHDZDB-UHFFFAOYSA-N -1 0 306.299 1.316 50 0 DDAARM Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc2c1 ZINC000002118173 406680082 /nfs/dbraw/zinc/68/00/82/406680082.db2.gz UVROLOKXJYRRMD-VIFPVBQESA-N -1 0 319.313 1.247 50 0 biogenic DDAARM CCOC(=O)[C@@H](CSCCC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002576479 406690020 /nfs/dbraw/zinc/69/00/20/406690020.db2.gz LINNMLHTUBJOQW-SECBINFHSA-N -1 0 321.395 1.651 50 0 DDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cs1 ZINC000007006219 406748402 /nfs/dbraw/zinc/74/84/02/406748402.db2.gz ZVHRUAYXNMOESI-UHFFFAOYSA-N -1 0 318.326 1.926 50 0 DDAARM Cc1nnc(SCc2nnnn2-c2ccccc2)[n-]c1=O ZINC000008782292 406797470 /nfs/dbraw/zinc/79/74/70/406797470.db2.gz XMYMGJRYGNAWOP-UHFFFAOYSA-N -1 0 301.335 1.154 50 0 DDAARM CC(C)=C1[C@@H]2CC[C@H]1[C@H]1C(=O)N([N-]C(=O)c3ccco3)C(=O)[C@H]21 ZINC000013139259 406859041 /nfs/dbraw/zinc/85/90/41/406859041.db2.gz XMLLJWLJLCSFBK-RDBQEKCUSA-N -1 0 314.341 1.902 50 0 DDAARM CC(C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000013552296 406862699 /nfs/dbraw/zinc/86/26/99/406862699.db2.gz MGOSDLIBQDESMR-CYBMUJFWSA-N -1 0 303.318 1.103 50 0 DDAARM COc1ccc(Cc2n[n-]c(NCc3ccccn3)nc2=O)cc1 ZINC000013550788 406863514 /nfs/dbraw/zinc/86/35/14/406863514.db2.gz XWHFOAGKIGZKSV-UHFFFAOYSA-N -1 0 323.356 1.771 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 ZINC000072275684 406877047 /nfs/dbraw/zinc/87/70/47/406877047.db2.gz LBDHJEMVGIXLGO-SMDDNHRTSA-N -1 0 324.402 1.055 50 0 DDAARM Cn1nc(-c2ccccc2)cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000012340662 406842651 /nfs/dbraw/zinc/84/26/51/406842651.db2.gz NFRXFVVHLIFKHY-UHFFFAOYSA-N -1 0 323.312 1.828 50 0 DDAARM O=C([O-])CN(CC(=O)NCCc1ccccc1)c1ccccc1 ZINC000034926521 406964988 /nfs/dbraw/zinc/96/49/88/406964988.db2.gz UVHKUSMEZOVLAU-UHFFFAOYSA-N -1 0 312.369 1.937 50 0 DDAARM CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000032646505 406950242 /nfs/dbraw/zinc/95/02/42/406950242.db2.gz LQAGAVSJXNRMRS-SMDDNHRTSA-N -1 0 304.346 1.265 50 0 DDAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(c2cnccn2)CC1 ZINC000032893677 406955447 /nfs/dbraw/zinc/95/54/47/406955447.db2.gz OTRYZUUTWGLODK-UHFFFAOYSA-N -1 0 318.764 1.798 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000049606695 407123034 /nfs/dbraw/zinc/12/30/34/407123034.db2.gz OGURNLCKXCPFIX-UHFFFAOYSA-N -1 0 315.709 1.242 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000089809714 407150810 /nfs/dbraw/zinc/15/08/10/407150810.db2.gz QIMHVKFHLWLYKQ-UHFFFAOYSA-N -1 0 314.288 1.130 50 0 DDAARM Cc1ncsc1CCC(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000095358930 407209013 /nfs/dbraw/zinc/20/90/13/407209013.db2.gz GVTZLDFNQGUEAQ-LLVKDONJSA-N -1 0 308.359 1.789 50 0 DDAARM COc1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000095970543 407218603 /nfs/dbraw/zinc/21/86/03/407218603.db2.gz DYEISTUQYGICIL-GFCCVEGCSA-N -1 0 315.329 1.159 50 0 DDAARM O=C(COc1cccc(NC(=O)C2CC2)c1)NC1(C(=O)[O-])CC1 ZINC000095989646 407222009 /nfs/dbraw/zinc/22/20/09/407222009.db2.gz USVHHLMERLXQMD-UHFFFAOYSA-N -1 0 318.329 1.147 50 0 DDAARM CCC[C@@H](NC(=O)Cc1ccc(OC)c(F)c1)c1nnn[n-]1 ZINC000096466441 407270042 /nfs/dbraw/zinc/27/00/42/407270042.db2.gz WRFCQCLJHOEGBQ-LLVKDONJSA-N -1 0 307.329 1.548 50 0 DDAARM CCC[C@H](NC(=O)c1coc(Br)c1)c1nnn[n-]1 ZINC000096466446 407270124 /nfs/dbraw/zinc/27/01/24/407270124.db2.gz SJIISYWGEXFPMD-ZETCQYMHSA-N -1 0 314.143 1.826 50 0 DDAARM Cc1cc(C(=O)NCCCc2nnn[n-]2)c2cccc(C)c2n1 ZINC000097492449 407298429 /nfs/dbraw/zinc/29/84/29/407298429.db2.gz GZDALRWZODQAIU-UHFFFAOYSA-N -1 0 310.361 1.727 50 0 DDAARM CC(=O)N1CCCC[C@H]1c1nc(-c2ccco2)nn1CC(=O)[O-] ZINC000097785449 407303373 /nfs/dbraw/zinc/30/33/73/407303373.db2.gz UOUJBQOQJHVPLF-NSHDSACASA-N -1 0 318.333 1.696 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2cccc(OC(F)F)c2)n1 ZINC000122698518 407308445 /nfs/dbraw/zinc/30/84/45/407308445.db2.gz AJMFBJANNUPXMB-UHFFFAOYSA-N -1 0 311.244 1.821 50 0 DDAARM Cc1cc(=O)n2nc(NC(=O)c3ccc(Cl)cc3)[n-]c2n1 ZINC000101011737 407308678 /nfs/dbraw/zinc/30/86/78/407308678.db2.gz KLIOKIFNRVZIEX-UHFFFAOYSA-N -1 0 303.709 1.632 50 0 DDAARM O=C(CCc1ccccc1)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000170607784 407451485 /nfs/dbraw/zinc/45/14/85/407451485.db2.gz QFHYASQYEZMUHS-UHFFFAOYSA-N -1 0 309.329 1.527 50 0 DDAARM CN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000170620004 407457208 /nfs/dbraw/zinc/45/72/08/407457208.db2.gz ZQDCYTOUCMEMLY-JTQLQIEISA-N -1 0 319.386 1.463 50 0 DDAARM CCc1nnsc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000223852516 407574300 /nfs/dbraw/zinc/57/43/00/407574300.db2.gz UERRBHREPNYGSJ-MIMYLULJSA-N -1 0 309.391 1.958 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000236688934 407753647 /nfs/dbraw/zinc/75/36/47/407753647.db2.gz KHTGCKVQPLTRJE-KBPBESRZSA-N -1 0 304.346 1.187 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cc(Cl)ccc2Cl)CCO1 ZINC000237962283 407857624 /nfs/dbraw/zinc/85/76/24/407857624.db2.gz KXTZVXUGMIVJBW-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM O=C([O-])C1(NC(=O)c2nc(N3CCCC3)ncc2Cl)CC1 ZINC000237998047 407865738 /nfs/dbraw/zinc/86/57/38/407865738.db2.gz FJVDOEHDQOIPIK-UHFFFAOYSA-N -1 0 310.741 1.077 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000238095357 407890634 /nfs/dbraw/zinc/89/06/34/407890634.db2.gz IKAUVVXFYMIWHV-QMMMGPOBSA-N -1 0 304.277 1.214 50 0 DDAARM C[C@@H]1C[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)CCO1 ZINC000262941291 407978236 /nfs/dbraw/zinc/97/82/36/407978236.db2.gz GRLQUFXJBLKMPO-WDBKCZKBSA-N -1 0 319.357 1.679 50 0 DDAARM Cc1ncsc1C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263133765 408034443 /nfs/dbraw/zinc/03/44/43/408034443.db2.gz SYARXVGQIBYKAI-LBPRGKRZSA-N -1 0 318.354 1.942 50 0 DDAARM COCc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])s1 ZINC000263036988 408008911 /nfs/dbraw/zinc/00/89/11/408008911.db2.gz RFPONUHSCDEVDS-NHCYSSNCSA-N -1 0 324.402 1.923 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC[C@@H]1CCOC1 ZINC000263208731 408059088 /nfs/dbraw/zinc/05/90/88/408059088.db2.gz WFEJXYQUNQIKCX-DOMZBBRYSA-N -1 0 303.358 1.841 50 0 DDAARM CC(C)(C)c1noc(CCC(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000136531153 408108678 /nfs/dbraw/zinc/10/86/78/408108678.db2.gz PEPSHEHSVGWIMN-JTQLQIEISA-N -1 0 309.366 1.765 50 0 DDAARM O=C([N-]S(=O)(=O)c1ncccc1F)C1CCC(F)(F)CC1 ZINC000190374634 408232566 /nfs/dbraw/zinc/23/25/66/408232566.db2.gz FUNWLNVQXMEAGZ-UHFFFAOYSA-N -1 0 322.308 1.851 50 0 DDAARM C[C@@H](CN(C)C(=O)c1ccc(N(C)C)cc1F)c1nnn[n-]1 ZINC000183438300 408413581 /nfs/dbraw/zinc/41/35/81/408413581.db2.gz AKXMLGFVQPCRMU-VIFPVBQESA-N -1 0 306.345 1.281 50 0 DDAARM C[C@@H](NS(=O)(=O)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000270532969 408567246 /nfs/dbraw/zinc/56/72/46/408567246.db2.gz VKGGYOJVOKMCFJ-SSDOTTSWSA-N -1 0 311.281 1.598 50 0 DDAARM CCN1C(=O)[C@@H](CC(=O)[O-])SC1=Nc1ccc2c(c1)OCO2 ZINC000252642763 408807273 /nfs/dbraw/zinc/80/72/73/408807273.db2.gz ZPSLUEKIORVHSH-LLVKDONJSA-N -1 0 322.342 1.841 50 0 DDAARM COCc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000262858668 163886703 /nfs/dbraw/zinc/88/67/03/163886703.db2.gz VBIWRXGWGCQMMJ-ZIAGYGMSSA-N -1 0 307.346 1.443 50 0 DDAARM Cn1cc(/C=C\C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000314071266 409822927 /nfs/dbraw/zinc/82/29/27/409822927.db2.gz LJQZNFHBCGZCBI-OOBDJQDNSA-N -1 0 303.362 1.678 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccccc1OC ZINC000040488304 292517671 /nfs/dbraw/zinc/51/76/71/292517671.db2.gz NYNVKFQJJYOTKZ-WFASDCNBSA-N -1 0 307.346 1.706 50 0 DDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CSc2nccc(C)n2)C1 ZINC000299781654 410624848 /nfs/dbraw/zinc/62/48/48/410624848.db2.gz ICQSEBYEXDYYPM-HNNXBMFYSA-N -1 0 323.418 1.981 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])CC(=O)N1CCN(c2ncccn2)CC1 ZINC000299803863 410640703 /nfs/dbraw/zinc/64/07/03/410640703.db2.gz HYVLHVFUAKLDAO-MRXNPFEDSA-N -1 0 320.393 1.406 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000194449972 418544369 /nfs/dbraw/zinc/54/43/69/418544369.db2.gz KENJKNJDFPFGDL-VHSXEESVSA-N -1 0 310.375 1.367 50 0 DDAARM COc1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000408513529 418806312 /nfs/dbraw/zinc/80/63/12/418806312.db2.gz RVLAWDNFMKRDKN-LBPRGKRZSA-N -1 0 313.737 1.203 50 0 DDAARM CCC(=O)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC000408517450 418806604 /nfs/dbraw/zinc/80/66/04/418806604.db2.gz JGUOBLMRQLFFOM-RQJHMYQMSA-N -1 0 320.233 1.997 50 0 DDAARM CCc1nc(C)c(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)o1 ZINC000426478124 419482158 /nfs/dbraw/zinc/48/21/58/419482158.db2.gz PJBQGGLKCISIQD-GFCCVEGCSA-N -1 0 304.302 1.807 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3OC)c1 ZINC000426662031 419528779 /nfs/dbraw/zinc/52/87/79/419528779.db2.gz BCDGYTCQTKBHOM-HBYGRHMLSA-N -1 0 319.357 1.890 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000299743553 229382537 /nfs/dbraw/zinc/38/25/37/229382537.db2.gz OCTLKTUTHHBMPK-SNVBAGLBSA-N -1 0 303.293 1.763 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cc(C2CC2)nn1 ZINC000299740862 229377714 /nfs/dbraw/zinc/37/77/14/229377714.db2.gz BSPJALNMPJVZOH-YUTCNCBUSA-N -1 0 318.377 1.400 50 0 DDAARM COc1cccc(/C=C\C(=O)N=c2ccn(CC(=O)[O-])[nH]2)c1 ZINC000492982732 420727082 /nfs/dbraw/zinc/72/70/82/420727082.db2.gz LFKZKAMEAUPGMK-WAYWQWQTSA-N -1 0 301.302 1.050 50 0 DDAARM O=C([O-])CC1(NC(=O)c2cnn(CC3CC3)c2)CCOCC1 ZINC000630130075 421905854 /nfs/dbraw/zinc/90/58/54/421905854.db2.gz IJLSODOFYUNXIR-UHFFFAOYSA-N -1 0 307.350 1.047 50 0 DDAARM CN1Cc2ccccc2C[C@H]1C(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000244673946 277209182 /nfs/dbraw/zinc/20/91/82/277209182.db2.gz HYOPEXBCWMWIOW-RCBQFDQVSA-N -1 0 316.401 1.803 50 0 DDAARM CC(C)C[C@@H](NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC000178289875 279000454 /nfs/dbraw/zinc/00/04/54/279000454.db2.gz PBAVWMHCEPOUQA-HLTSFMKQSA-N -1 0 324.299 1.059 50 0 DDAARM Cc1c2c(nn1C)n(CCC(=O)[O-])c(=O)cc2C(F)(F)F ZINC000012398126 301015922 /nfs/dbraw/zinc/01/59/22/301015922.db2.gz CBKFTKOZRPVHSW-UHFFFAOYSA-N -1 0 303.240 1.537 50 0 DDAARM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@H]2CCC[C@H]21 ZINC000230259599 304848935 /nfs/dbraw/zinc/84/89/35/304848935.db2.gz YIIBAHXXEBVHIN-HIFRSBDPSA-N -1 0 300.362 1.726 50 0 DDAARM Cc1ccc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000263471486 484275232 /nfs/dbraw/zinc/27/52/32/484275232.db2.gz HYJWKFUGERKKAJ-UTUOFQBUSA-N -1 0 313.375 1.994 50 0 DDAARM Cc1csc(CN(C)Cc2cc(=O)n3[n-]c(C)cc3n2)n1 ZINC000670445337 484834129 /nfs/dbraw/zinc/83/41/29/484834129.db2.gz UMKJGSJQHYBRFD-UHFFFAOYSA-N -1 0 303.391 1.728 50 0 DDAARM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000157004089 524215417 /nfs/dbraw/zinc/21/54/17/524215417.db2.gz QPWHYIYYNFDDCK-XMHCIUCPSA-N -1 0 322.430 1.135 50 0 DDAARM CC(=O)Nc1cccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000424222556 527040525 /nfs/dbraw/zinc/04/05/25/527040525.db2.gz FHBCGOBFQFFQMZ-AWEZNQCLSA-N -1 0 304.346 1.653 50 0 DDAARM CCOc1ccccc1/C=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000321585671 528703616 /nfs/dbraw/zinc/70/36/16/528703616.db2.gz JSXSBUUEMZASTR-HSBSLETESA-N -1 0 319.357 1.801 50 0 DDAARM CCn1ccnc1CN1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000067742434 696363973 /nfs/dbraw/zinc/36/39/73/696363973.db2.gz GYFYKPFUUHLVMH-GFCCVEGCSA-N -1 0 318.381 1.105 50 0 DDAARM C[C@@H](Nc1nc(C(C)(C)C)nc2c1cnn2C)c1nnn[n-]1 ZINC000072131805 696393209 /nfs/dbraw/zinc/39/32/09/696393209.db2.gz KEJQHZXVXRGSAA-SSDOTTSWSA-N -1 0 301.358 1.347 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(c2cnc3ccccc3n2)CC1 ZINC000072426893 696394070 /nfs/dbraw/zinc/39/40/70/696394070.db2.gz PJGKOZOSLOUYJL-UHFFFAOYSA-N -1 0 323.356 1.907 50 0 DDAARM CSc1nsc(NC=C2C(=O)NC(=O)c3ccccc32)n1 ZINC000222032884 697756682 /nfs/dbraw/zinc/75/66/82/697756682.db2.gz WLEJNLHPPNGMMZ-TWGQIWQCSA-N -1 0 318.383 1.983 50 0 DDAARM CCN(CC1CC1)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262378783 698467212 /nfs/dbraw/zinc/46/72/12/698467212.db2.gz GRHKVRAIBRNFID-UHFFFAOYSA-N -1 0 312.391 1.451 50 0 DDAARM CCS(=O)(=O)N1CCC[C@H](C(=O)[N-]Oc2ccccc2)C1 ZINC000854537883 704413974 /nfs/dbraw/zinc/41/39/74/704413974.db2.gz BRBQSCQYSJHNGP-LBPRGKRZSA-N -1 0 312.391 1.158 50 0 DDAARM COc1ccccc1O[C@@H](C)CNC(=O)c1cc(C(=O)[O-])on1 ZINC000863981657 706050058 /nfs/dbraw/zinc/05/00/58/706050058.db2.gz DXDXCRBFCAEWIW-VIFPVBQESA-N -1 0 320.301 1.579 50 0 DDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2cccn2)C1 ZINC000219595722 771934424 /nfs/dbraw/zinc/93/44/24/771934424.db2.gz UEFNPEMHUIHGNB-HNNXBMFYSA-N -1 0 309.366 1.003 50 0 DDAARM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)C(F)F)C(F)(F)F ZINC000585087415 771936106 /nfs/dbraw/zinc/93/61/06/771936106.db2.gz VZPUTOHIWBIYLW-QMMMGPOBSA-N -1 0 322.233 1.888 50 0 DDAARM O=C(N=c1nc(-c2ncccc2Cl)[n-]s1)[C@@H]1CCCO1 ZINC000585124965 771956343 /nfs/dbraw/zinc/95/63/43/771956343.db2.gz BIAXVLUTHGJCOA-QMMMGPOBSA-N -1 0 310.766 1.793 50 0 DDAARM COc1cc(C=CC(=O)N(C)c2nnn[n-]2)ccc1OC(C)C ZINC000585125986 771956997 /nfs/dbraw/zinc/95/69/97/771956997.db2.gz KJIHVCNHSLLSKH-SOFGYWHQSA-N -1 0 317.349 1.672 50 0 DDAARM CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1N=S(C)(C)=O ZINC000585128833 771960500 /nfs/dbraw/zinc/96/05/00/771960500.db2.gz OLFYWIAMDLDPLD-SNVBAGLBSA-N -1 0 320.436 1.822 50 0 DDAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C(=O)OCC)o1 ZINC000004131567 539029093 /nfs/dbraw/zinc/02/90/93/539029093.db2.gz AJVWRAHYLMAZQZ-UHFFFAOYSA-N -1 0 318.351 1.244 50 0 DDAARM C[C@@H](Cc1cnn(C)c1)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263336680 539276110 /nfs/dbraw/zinc/27/61/10/539276110.db2.gz MOYDNIZSVAUNRE-MDZLAQPJSA-N -1 0 308.382 1.103 50 0 DDAARM CN(c1ccccc1)c1cc(NC[C@](C)(O)C(=O)[O-])ncn1 ZINC000263537855 539276227 /nfs/dbraw/zinc/27/62/27/539276227.db2.gz AQNHPRZSDBXUBR-HNNXBMFYSA-N -1 0 302.334 1.492 50 0 DDAARM COCCN(CCC(=O)[O-])C(=O)CCC(=O)c1ccccc1 ZINC000095424652 185361411 /nfs/dbraw/zinc/36/14/11/185361411.db2.gz PJUZVGVZHYFXEC-UHFFFAOYSA-N -1 0 307.346 1.599 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000095435635 185364561 /nfs/dbraw/zinc/36/45/61/185364561.db2.gz OVKONQFRKUSMKB-RYUDHWBXSA-N -1 0 302.334 1.239 50 0 DDAARM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)[N-]OCc1ccccc1 ZINC000102908952 185425721 /nfs/dbraw/zinc/42/57/21/185425721.db2.gz MJDAQRNEENJXJR-KBPBESRZSA-N -1 0 316.357 1.410 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237503837 186298479 /nfs/dbraw/zinc/29/84/79/186298479.db2.gz ZXQIBMURVJONNL-MGPLVRAMSA-N -1 0 307.394 1.539 50 0 DDAARM C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)[O-])n1C ZINC000072328112 191122924 /nfs/dbraw/zinc/12/29/24/191122924.db2.gz SFYVDPSBNCGJRY-SECBINFHSA-N -1 0 320.374 1.483 50 0 DDAARM CCC[C@@]1(Cc2ccc(C(=O)[O-])cc2)C(=O)N=C(N)NC1=O ZINC000019892785 352169849 /nfs/dbraw/zinc/16/98/49/352169849.db2.gz KVORRECCUPMQRS-UHFFFAOYSA-N -1 0 303.318 1.525 50 0 DDAARM Nc1nccc(N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)n1 ZINC000072433408 191164760 /nfs/dbraw/zinc/16/47/60/191164760.db2.gz ZMEYOGYIFAJKOJ-UHFFFAOYSA-N -1 0 314.345 1.561 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000076020310 353390559 /nfs/dbraw/zinc/39/05/59/353390559.db2.gz SJRWJDMABOPSCJ-KGLIPLIRSA-N -1 0 310.419 1.801 50 0 DDAARM Cc1sc2ncn(CC(=O)NCCCC(=O)[O-])c(=O)c2c1C ZINC000004118070 181075424 /nfs/dbraw/zinc/07/54/24/181075424.db2.gz BRVLYLLOLUHRGL-UHFFFAOYSA-N -1 0 323.374 1.056 50 0 DDAARM CC(C)(C)n1nc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C1CC1 ZINC000236770380 202001661 /nfs/dbraw/zinc/00/16/61/202001661.db2.gz KXEPRIBEOAGTKR-CYBMUJFWSA-N -1 0 321.377 1.441 50 0 DDAARM Cc1cc(C(=O)[O-])c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000004218556 181085601 /nfs/dbraw/zinc/08/56/01/181085601.db2.gz IQLLNIKUNMMXRV-UHFFFAOYSA-N -1 0 308.359 1.499 50 0 DDAARM COC(=O)c1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004613906 181129749 /nfs/dbraw/zinc/12/97/49/181129749.db2.gz XTVYWQYFLZVDAA-VOAKCMCISA-N -1 0 317.297 1.066 50 0 DDAARM C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(N)=O)C1 ZINC000004645992 181131385 /nfs/dbraw/zinc/13/13/85/181131385.db2.gz OVVWZZSKFSWVGW-SSDOTTSWSA-N -1 0 310.375 1.775 50 0 DDAARM CCC[C@@H](NC(=O)C[C@@H](c1nccn1C)C(F)(F)F)C(=O)[O-] ZINC000585134753 354811851 /nfs/dbraw/zinc/81/18/51/354811851.db2.gz IXIJZQKHWWGOSA-DTWKUNHWSA-N -1 0 321.299 1.826 50 0 DDAARM CS(=O)(=O)N(CC(=O)[O-])c1cccc(Br)c1 ZINC000004982957 181183417 /nfs/dbraw/zinc/18/34/17/181183417.db2.gz AMKAALQIAFTAFD-UHFFFAOYSA-N -1 0 308.153 1.300 50 0 DDAARM O=C([O-])CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000237973332 304051130 /nfs/dbraw/zinc/05/11/30/304051130.db2.gz RMUIPADBONJYSZ-JTQLQIEISA-N -1 0 324.764 1.674 50 0 DDAARM CCN1C[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)CC1=O ZINC000236913762 202069095 /nfs/dbraw/zinc/06/90/95/202069095.db2.gz OUZVJCUPQUDZSP-TZMCWYRMSA-N -1 0 318.373 1.495 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCC2)CCO1 ZINC000238195082 304076979 /nfs/dbraw/zinc/07/69/79/304076979.db2.gz DUWJDVPYJNZIPY-CQSZACIVSA-N -1 0 321.348 1.950 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCc3ccccc32)CCO1 ZINC000269045139 304076986 /nfs/dbraw/zinc/07/69/86/304076986.db2.gz SGCDWODKGFIQRM-UKRRQHHQSA-N -1 0 303.358 1.809 50 0 DDAARM Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@H](C)C(=O)[O-])CC1 ZINC000237553817 202281227 /nfs/dbraw/zinc/28/12/27/202281227.db2.gz FUMSUPDDMUFGQK-ZIAGYGMSSA-N -1 0 320.389 1.380 50 0 DDAARM Cc1nccn1CCCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000237621781 202307759 /nfs/dbraw/zinc/30/77/59/202307759.db2.gz NONNTMDWVZGXKS-UHFFFAOYSA-N -1 0 301.346 1.986 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000237657363 202320864 /nfs/dbraw/zinc/32/08/64/202320864.db2.gz DTMMSQGPEJBJOX-QGZVFWFLSA-N -1 0 316.357 1.750 50 0 DDAARM Cc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)nn1C(C)(C)C ZINC000237668464 202322908 /nfs/dbraw/zinc/32/29/08/202322908.db2.gz WZEAMIDTWBMMCT-UHFFFAOYSA-N -1 0 323.393 1.652 50 0 DDAARM Cn1ncc(C(=O)N2CCC(C(=O)[O-])CC2)c1-n1cccc1 ZINC000237827791 202364755 /nfs/dbraw/zinc/36/47/55/202364755.db2.gz IAIPTFZXEBCXCW-UHFFFAOYSA-N -1 0 302.334 1.148 50 0 DDAARM CC(C)S[C@H](C)C(=O)Nc1cccc(C(=O)NCC(=O)[O-])c1 ZINC000089891003 192895310 /nfs/dbraw/zinc/89/53/10/192895310.db2.gz HJJSTKPGZZNPJP-SNVBAGLBSA-N -1 0 324.402 1.970 50 0 DDAARM CC[C@](NC(=O)c1ccc(OC)nn1)(C(=O)[O-])c1ccccc1 ZINC000262399792 203283822 /nfs/dbraw/zinc/28/38/22/203283822.db2.gz JVOPWAQXJHVXMI-MRXNPFEDSA-N -1 0 315.329 1.605 50 0 DDAARM COc1c(F)ccc(F)c1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262691384 203384102 /nfs/dbraw/zinc/38/41/02/203384102.db2.gz BQQHTBNEACLENW-MRVPVSSYSA-N -1 0 315.272 1.289 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000263166413 203442890 /nfs/dbraw/zinc/44/28/90/203442890.db2.gz YIKIUQNFYNCYPR-QGZVFWFLSA-N -1 0 321.373 1.875 50 0 DDAARM CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095378381 193438478 /nfs/dbraw/zinc/43/84/78/193438478.db2.gz OOQCQYZRZKLKCM-ZDUSSCGKSA-N -1 0 312.391 1.371 50 0 DDAARM CO[N-]C(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000096191765 193570379 /nfs/dbraw/zinc/57/03/79/193570379.db2.gz ZFBSKSQYZKUCHH-UHFFFAOYSA-N -1 0 312.329 1.785 50 0 DDAARM Cc1nnc(SCC(=O)NCc2ccccc2Cl)[n-]c1=O ZINC000018044945 182090335 /nfs/dbraw/zinc/09/03/35/182090335.db2.gz JPZNMIONSMKBRU-UHFFFAOYSA-N -1 0 324.793 1.948 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000095949210 304177491 /nfs/dbraw/zinc/17/74/91/304177491.db2.gz HKTMFIAIBGXSON-CHWSQXEVSA-N -1 0 308.378 1.101 50 0 DDAARM Cn1cc(Br)cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000020214384 182198173 /nfs/dbraw/zinc/19/81/73/182198173.db2.gz FBQAWDQAMJHYQN-UHFFFAOYSA-N -1 0 315.167 1.724 50 0 DDAARM Cc1ccc(S(=O)(=O)Cc2noc(CCC(=O)[O-])n2)cc1 ZINC000021779134 182288377 /nfs/dbraw/zinc/28/83/77/182288377.db2.gz SEPYNURARXCHKE-UHFFFAOYSA-N -1 0 310.331 1.369 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000037793292 182926098 /nfs/dbraw/zinc/92/60/98/182926098.db2.gz WUTZSCPHVZKDEV-JGVFFNPUSA-N -1 0 304.224 1.682 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000041670474 183214768 /nfs/dbraw/zinc/21/47/68/183214768.db2.gz QKDGNTBALVTXTH-UHFFFAOYSA-N -1 0 324.695 1.978 50 0 DDAARM O=C([O-])c1n[nH]cc1CN1CCc2nc[nH]c2[C@H]1c1ccoc1 ZINC000067966880 304216410 /nfs/dbraw/zinc/21/64/10/304216410.db2.gz BZZGZOWIMUTNAU-CQSZACIVSA-N -1 0 313.317 1.572 50 0 DDAARM COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268918563 207085073 /nfs/dbraw/zinc/08/50/73/207085073.db2.gz RCEGYLAFCNWVME-BFHYXJOUSA-N -1 0 303.358 1.949 50 0 DDAARM Cc1ccccc1NC(=O)CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000055166396 183967805 /nfs/dbraw/zinc/96/78/05/183967805.db2.gz YPVGADBBLAIBKD-LBPRGKRZSA-N -1 0 320.345 1.026 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000268935243 207100427 /nfs/dbraw/zinc/10/04/27/207100427.db2.gz BTJYXISFFPWQPC-INIZCTEOSA-N -1 0 314.345 1.263 50 0 DDAARM COc1ccccc1[C@@H](C)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000268932496 207097423 /nfs/dbraw/zinc/09/74/23/207097423.db2.gz AQKJTNNFOFQVCH-STQMWFEESA-N -1 0 321.373 1.891 50 0 DDAARM COc1ccccc1[C@H](C)CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000268932493 207097792 /nfs/dbraw/zinc/09/77/92/207097792.db2.gz AQKJTNNFOFQVCH-CHWSQXEVSA-N -1 0 321.373 1.891 50 0 DDAARM Cc1nnnn1-c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000061721800 184185764 /nfs/dbraw/zinc/18/57/64/184185764.db2.gz HPMSOGMTZQIJAR-RYUDHWBXSA-N -1 0 315.333 1.266 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000269209501 207327061 /nfs/dbraw/zinc/32/70/61/207327061.db2.gz VEWNOODWDBTAOX-YPMHNXCESA-N -1 0 307.346 1.533 50 0 DDAARM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000158490621 197277554 /nfs/dbraw/zinc/27/75/54/197277554.db2.gz XOTOUKPMXOSWIK-CHWSQXEVSA-N -1 0 324.421 1.737 50 0 DDAARM Cc1ccc(N2CC[C@@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)cc1 ZINC000154927720 197005595 /nfs/dbraw/zinc/00/55/95/197005595.db2.gz IDIPOKIKKLFKRG-GFCCVEGCSA-N -1 0 302.330 1.081 50 0 DDAARM CC(C)CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1 ZINC000058306475 257270069 /nfs/dbraw/zinc/27/00/69/257270069.db2.gz DQSGIOAJZIFQNV-UHFFFAOYSA-N -1 0 316.361 1.674 50 0 DDAARM O=C(CCc1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000069593151 184819979 /nfs/dbraw/zinc/81/99/79/184819979.db2.gz KGAHYSRXRWDJOU-AWEZNQCLSA-N -1 0 311.403 1.634 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)n1 ZINC000122766252 195497464 /nfs/dbraw/zinc/49/74/64/195497464.db2.gz AOLWHEDHUXMUGN-ZDUSSCGKSA-N -1 0 315.329 1.610 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)CCn2ccc3ccccc32)n1 ZINC000122824891 195506055 /nfs/dbraw/zinc/50/60/55/195506055.db2.gz FTPPRHHUBKEJML-UHFFFAOYSA-N -1 0 312.329 1.951 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000122822357 195506894 /nfs/dbraw/zinc/50/68/94/195506894.db2.gz FIKZYGHWUMWGQJ-IUCAKERBSA-N -1 0 321.283 1.988 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2coc(-c3ccccc3)n2)CCO1 ZINC000124750057 195674609 /nfs/dbraw/zinc/67/46/09/195674609.db2.gz POPAYQGLHGBBGD-GFCCVEGCSA-N -1 0 316.313 1.657 50 0 DDAARM COC(=O)c1cc(OC)c(OC)cc1NC(=O)/C=C\C(=O)[O-] ZINC000033382202 292002636 /nfs/dbraw/zinc/00/26/36/292002636.db2.gz CBVWNTAZNSDGDG-PLNGDYQASA-N -1 0 309.274 1.070 50 0 DDAARM C[C@@H]1CCc2sc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2C1 ZINC000088373654 296766944 /nfs/dbraw/zinc/76/69/44/296766944.db2.gz UBOATGWKARPJEY-KOLCDFICSA-N -1 0 309.387 1.799 50 0 DDAARM O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000000051303 406614093 /nfs/dbraw/zinc/61/40/93/406614093.db2.gz WKQIEBDXYHXCJK-ZDUSSCGKSA-N -1 0 320.320 1.254 50 0 DDAARM O=C([O-])CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001242371 406666722 /nfs/dbraw/zinc/66/67/22/406666722.db2.gz JLLFMPMRMQHVLE-UHFFFAOYSA-N -1 0 317.672 1.722 50 0 DDAARM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000001425986 406669019 /nfs/dbraw/zinc/66/90/19/406669019.db2.gz AUQPEZFKFVXYTM-UHFFFAOYSA-N -1 0 323.374 1.462 50 0 DDAARM O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1 ZINC000002028215 406682147 /nfs/dbraw/zinc/68/21/47/406682147.db2.gz ARWIDJYXRUTGPZ-XFXZXTDPSA-N -1 0 314.297 1.251 50 0 DDAARM O=C([O-])CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000002298928 406684560 /nfs/dbraw/zinc/68/45/60/406684560.db2.gz BDEVLSXGLJXRMU-UKTHLTGXSA-N -1 0 314.297 1.251 50 0 DDAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000002192947 406684696 /nfs/dbraw/zinc/68/46/96/406684696.db2.gz FZNMEBHOYAUETL-ONNFQVAWSA-N -1 0 307.283 1.536 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)[O-] ZINC000002623480 406693558 /nfs/dbraw/zinc/69/35/58/406693558.db2.gz GPVBCMKVUYEXIR-LLVKDONJSA-N -1 0 317.432 1.788 50 0 DDAARM Cn1ccc([N-]S(=O)(=O)c2ccccc2OC(F)F)n1 ZINC000069599725 406743301 /nfs/dbraw/zinc/74/33/01/406743301.db2.gz SLJOZKVWAFLSEA-UHFFFAOYSA-N -1 0 303.290 1.822 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000003066095 406710143 /nfs/dbraw/zinc/71/01/43/406710143.db2.gz MBPSWVGSUGQOSI-UHFFFAOYSA-N -1 0 311.384 1.662 50 0 DDAARM CCn1c(=O)[nH]c(=O)c2c(C(=O)[O-])cc(-c3ccccc3)nc21 ZINC000008429006 406787981 /nfs/dbraw/zinc/78/79/81/406787981.db2.gz GXLCGPUMGWDGND-UHFFFAOYSA-N -1 0 311.297 1.470 50 0 DDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000009477066 406809957 /nfs/dbraw/zinc/80/99/57/406809957.db2.gz FGWBNEPKERUEHH-UHFFFAOYSA-N -1 0 323.374 1.624 50 0 DDAARM Cc1cc(C)n([N-]C(=O)c2cnnn2-c2ccccc2)c(=O)c1 ZINC000071523601 406839800 /nfs/dbraw/zinc/83/98/00/406839800.db2.gz BOPHSLKQDRTYPV-UHFFFAOYSA-N -1 0 309.329 1.430 50 0 DDAARM CCOC(=O)C1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000013624474 406864780 /nfs/dbraw/zinc/86/47/80/406864780.db2.gz QOIWASGSKDPLJK-STQMWFEESA-N -1 0 311.378 1.679 50 0 DDAARM Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000035686316 406974076 /nfs/dbraw/zinc/97/40/76/406974076.db2.gz JDFKUGFBHKTWRB-JTQLQIEISA-N -1 0 319.313 1.378 50 0 DDAARM COc1ccc(OC)c(-c2cc(C(=O)N[C@@H](C)C(=O)[O-])no2)c1 ZINC000035989503 406976177 /nfs/dbraw/zinc/97/61/77/406976177.db2.gz KAMMYRIIOOWZOP-QMMMGPOBSA-N -1 0 320.301 1.562 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-n2cncn2)cc1 ZINC000029433106 406923223 /nfs/dbraw/zinc/92/32/23/406923223.db2.gz AFUGMIZZVUEFPK-UHFFFAOYSA-N -1 0 319.346 1.673 50 0 DDAARM CCOc1cccc2c1OCC(C(=O)NCCCC(=O)[O-])=C2 ZINC000075572849 406935859 /nfs/dbraw/zinc/93/58/59/406935859.db2.gz RSDJXNRSSWUREC-UHFFFAOYSA-N -1 0 305.330 1.842 50 0 DDAARM Cc1ccc(-c2nnc(SCC(=O)NC3CC3)[n-]c2=O)cc1 ZINC000032778603 406953784 /nfs/dbraw/zinc/95/37/84/406953784.db2.gz WPZKZHPJCNGPMP-UHFFFAOYSA-N -1 0 316.386 1.923 50 0 DDAARM CCN1CCN(S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)CC1 ZINC000037238689 406987085 /nfs/dbraw/zinc/98/70/85/406987085.db2.gz NAADUOCBBLGSGH-UHFFFAOYSA-N -1 0 318.420 1.081 50 0 DDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1F ZINC000038020892 406997245 /nfs/dbraw/zinc/99/72/45/406997245.db2.gz ITXQKKMPAPUBCH-UHFFFAOYSA-N -1 0 309.746 1.964 50 0 DDAARM O=C([O-])CN(C[C@@H]1CCCO1)C(=O)[C@H]1CCOc2ccccc21 ZINC000089857780 407154566 /nfs/dbraw/zinc/15/45/66/407154566.db2.gz AYKDYHSSFCXTKI-JSGCOSHPSA-N -1 0 319.357 1.645 50 0 DDAARM COCC[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)[O-] ZINC000052784890 407157544 /nfs/dbraw/zinc/15/75/44/407157544.db2.gz GNZDETSNUWUXAM-JQWIXIFHSA-N -1 0 313.737 1.249 50 0 DDAARM COc1ccc(CN2C(=O)[N-]S(=O)(=O)c3cccnc32)cc1 ZINC000096511565 407274144 /nfs/dbraw/zinc/27/41/44/407274144.db2.gz NEBWIZWWWZVWPB-UHFFFAOYSA-N -1 0 319.342 1.713 50 0 DDAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2nc3ccccn3n2)c1 ZINC000097098476 407280287 /nfs/dbraw/zinc/28/02/87/407280287.db2.gz LUIFYDMUCTUGEE-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)C[C@H]2OCCc3ccccc32)n1 ZINC000122766003 407309893 /nfs/dbraw/zinc/30/98/93/407309893.db2.gz AOLWHEDHUXMUGN-CYBMUJFWSA-N -1 0 315.329 1.610 50 0 DDAARM Cc1cnn(C[C@H]2CN(C(=O)c3ccc(F)cc3[O-])CCO2)c1 ZINC000123776671 407338628 /nfs/dbraw/zinc/33/86/28/407338628.db2.gz ZHSHBUGKHJQYSX-CYBMUJFWSA-N -1 0 319.336 1.577 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCc1cscn1 ZINC000195542643 407464433 /nfs/dbraw/zinc/46/44/33/407464433.db2.gz RFWVIWIWXPPEQK-ZDUSSCGKSA-N -1 0 304.371 1.888 50 0 DDAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC2(C1)OCCO2 ZINC000170647578 407464680 /nfs/dbraw/zinc/46/46/80/407464680.db2.gz ONWNHSVUSZTCOF-UHFFFAOYSA-N -1 0 306.343 1.706 50 0 DDAARM O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000257190343 407486233 /nfs/dbraw/zinc/48/62/33/407486233.db2.gz OOSRDDKLKKAPBW-GFCCVEGCSA-N -1 0 308.345 1.768 50 0 DDAARM O=C(c1cc(=O)[n-]o1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000216322229 407496796 /nfs/dbraw/zinc/49/67/96/407496796.db2.gz OFUQWLJNPRHCSM-CYBMUJFWSA-N -1 0 301.346 1.990 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)C1CCN(c2cnccn2)CC1 ZINC000128606018 407556040 /nfs/dbraw/zinc/55/60/40/407556040.db2.gz QIUJTSNPDDQLBI-CYBMUJFWSA-N -1 0 318.377 1.159 50 0 DDAARM CCN(C)S(=O)(=O)N1CCC[C@](CC=C(C)C)(C(=O)[O-])C1 ZINC000230114184 407681893 /nfs/dbraw/zinc/68/18/93/407681893.db2.gz OGXWTTHVWJCVFP-CQSZACIVSA-N -1 0 318.439 1.706 50 0 DDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262207025 407765639 /nfs/dbraw/zinc/76/56/39/407765639.db2.gz XHOUZGZQGFPMFH-MRVPVSSYSA-N -1 0 305.334 1.748 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000237065177 407792937 /nfs/dbraw/zinc/79/29/37/407792937.db2.gz ZJRYXBIDWVTHSG-UHFFFAOYSA-N -1 0 323.393 1.689 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000262380073 407817359 /nfs/dbraw/zinc/81/73/59/407817359.db2.gz IFADTAMQAYJSPC-YNEHKIRRSA-N -1 0 302.330 1.019 50 0 DDAARM C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262430660 407835132 /nfs/dbraw/zinc/83/51/32/407835132.db2.gz MHIDBNHUINBLAF-JTQLQIEISA-N -1 0 308.334 1.111 50 0 DDAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCOC1 ZINC000238124750 407893732 /nfs/dbraw/zinc/89/37/32/407893732.db2.gz TZBCWKSZAWGSPA-NSHDSACASA-N -1 0 313.300 1.805 50 0 DDAARM CC[C@](CNC(=O)c1cnn(C)c1)(C(=O)[O-])c1ccccc1 ZINC000263103243 408026707 /nfs/dbraw/zinc/02/67/07/408026707.db2.gz WOMCNYGKAZNSCC-MRXNPFEDSA-N -1 0 301.346 1.583 50 0 DDAARM CC(C)C[C@@H](NS(=O)(=O)c1cccc2c1OCC2)C(=O)[O-] ZINC000263177470 408048130 /nfs/dbraw/zinc/04/81/30/408048130.db2.gz SXFUMMYUVXXBJL-LLVKDONJSA-N -1 0 313.375 1.399 50 0 DDAARM Cn1c(=O)cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000263175685 408048419 /nfs/dbraw/zinc/04/84/19/408048419.db2.gz GOVSTHCZDMJFTE-AOOOYVTPSA-N -1 0 300.314 1.132 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC[C@H]1CCOC1 ZINC000263208734 408058909 /nfs/dbraw/zinc/05/89/09/408058909.db2.gz WFEJXYQUNQIKCX-WFASDCNBSA-N -1 0 303.358 1.841 50 0 DDAARM Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])cn2)n1 ZINC000191568757 408446923 /nfs/dbraw/zinc/44/69/23/408446923.db2.gz XRRAKDXUVMTJPH-RYUDHWBXSA-N -1 0 300.318 1.543 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cc(C3CC3)n[nH]2)(C(=O)[O-])C1(C)C ZINC000193042811 408686443 /nfs/dbraw/zinc/68/64/43/408686443.db2.gz QSHGSGVMQNIUJH-WBMJQRKESA-N -1 0 321.377 1.675 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2oc(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193050120 408686995 /nfs/dbraw/zinc/68/69/95/408686995.db2.gz LGZZHPLIUBPJNQ-BMIGLBTASA-N -1 0 310.350 1.680 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3ccc(Cl)cc3n2)CCO1 ZINC000178280836 408799155 /nfs/dbraw/zinc/79/91/55/408799155.db2.gz YDSKGDHBPQMQQM-ZDUSSCGKSA-N -1 0 320.732 1.814 50 0 DDAARM CCCN(CCc1ccccn1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000252499347 408800396 /nfs/dbraw/zinc/80/03/96/408800396.db2.gz RZDJIPCQGMVRPW-UONOGXRCSA-N -1 0 306.362 1.495 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)s1 ZINC000263107435 163916451 /nfs/dbraw/zinc/91/64/51/163916451.db2.gz KSJYQDLRFADKDP-HZGVNTEJSA-N -1 0 304.393 1.101 50 0 DDAARM C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C[C@H](C)O1 ZINC000299743016 410605052 /nfs/dbraw/zinc/60/50/52/410605052.db2.gz LNJXYQXHSFZVKF-ZQNQSHIBSA-N -1 0 324.421 1.340 50 0 DDAARM Cc1n[nH]c(C)c1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000299785753 410628150 /nfs/dbraw/zinc/62/81/50/410628150.db2.gz LNXPWPGDXWEMSU-HNNXBMFYSA-N -1 0 313.357 1.607 50 0 DDAARM O=C(NCCCNc1cccnc1)c1[n-]c(=O)nc2ccccc21 ZINC000223437092 418563568 /nfs/dbraw/zinc/56/35/68/418563568.db2.gz GJKIDBNNPOKIQH-UHFFFAOYSA-N -1 0 323.356 1.550 50 0 DDAARM Cc1nc(CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)co1 ZINC000426403523 419461709 /nfs/dbraw/zinc/46/17/09/419461709.db2.gz OCNVGAXEAQORQH-LBPRGKRZSA-N -1 0 304.350 1.644 50 0 DDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CCn2cc(Cl)cn2)C1 ZINC000630191942 421948667 /nfs/dbraw/zinc/94/86/67/421948667.db2.gz VVFLFSGNVYDJTH-GHMZBOCLSA-N -1 0 315.757 1.017 50 0 DDAARM CC(C)n1nnnc1-c1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000630230572 421980180 /nfs/dbraw/zinc/98/01/80/421980180.db2.gz LGHGUYGIDDXXOD-UHFFFAOYSA-N -1 0 315.333 1.724 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)/C=C\c1ccc(N2CCCC2=O)cc1 ZINC000606442078 422460211 /nfs/dbraw/zinc/46/02/11/422460211.db2.gz NBHCIKLDHZWNFQ-MQGYJPLLSA-N -1 0 316.357 1.758 50 0 DDAARM Cn1nccc1[C@H]1COCCN1Cc1cccc(C(=O)[O-])c1 ZINC000650513861 423185665 /nfs/dbraw/zinc/18/56/65/423185665.db2.gz LRFKPSBEPSHTLV-OAHLLOKOSA-N -1 0 301.346 1.692 50 0 DDAARM CC(=O)SC[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])CSC1(C)C ZINC000039331939 278223164 /nfs/dbraw/zinc/22/31/64/278223164.db2.gz BBCOUGJJTVEWAV-VXNVDRBHSA-N -1 0 305.421 1.667 50 0 DDAARM C[C@]1(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCCOC1 ZINC000262975494 300755211 /nfs/dbraw/zinc/75/52/11/300755211.db2.gz KHSWEAVGCWIXFR-NWDGAFQWSA-N -1 0 309.284 1.669 50 0 DDAARM Cc1nc(C)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000178050647 302571013 /nfs/dbraw/zinc/57/10/13/302571013.db2.gz NUXGQPXCUBGFBC-CYBMUJFWSA-N -1 0 300.314 1.943 50 0 DDAARM Cc1n[nH]cc1CNC(=O)N(CC(=O)[O-])Cc1ccc(F)cc1 ZINC000578621624 308473534 /nfs/dbraw/zinc/47/35/34/308473534.db2.gz CTEBRFXAQCHAEY-UHFFFAOYSA-N -1 0 320.324 1.654 50 0 DDAARM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC000390834390 325783862 /nfs/dbraw/zinc/78/38/62/325783862.db2.gz XUHSQWYQYVFVDM-UHFFFAOYSA-N -1 0 317.371 1.640 50 0 DDAARM C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000668287615 485079680 /nfs/dbraw/zinc/07/96/80/485079680.db2.gz HLAYXEKCUFJUMJ-GDLCADMTSA-N -1 0 309.337 1.925 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000299747818 533739635 /nfs/dbraw/zinc/73/96/35/533739635.db2.gz FEAOPICPKJRQIT-KKUMJFAQSA-N -1 0 319.357 1.501 50 0 DDAARM Cc1noc(COCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000299750367 534418121 /nfs/dbraw/zinc/41/81/21/534418121.db2.gz NGWBUPCZMMDSAQ-UTUOFQBUSA-N -1 0 323.349 1.139 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc(-c2ccsc2)s1 ZINC000299750600 534526177 /nfs/dbraw/zinc/52/61/77/534526177.db2.gz OAQUFFWULSJIMA-VIFPVBQESA-N -1 0 324.383 1.797 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000299748611 534539651 /nfs/dbraw/zinc/53/96/51/534539651.db2.gz HROFJFQCHVGDSD-KBPBESRZSA-N -1 0 303.358 1.572 50 0 DDAARM CCOc1ccccc1/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000316792025 528703707 /nfs/dbraw/zinc/70/37/07/528703707.db2.gz REUAQTUDOYKXEN-GWJCSSMESA-N -1 0 305.330 1.411 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000034926299 535016687 /nfs/dbraw/zinc/01/66/87/535016687.db2.gz ZBUDMDXRASMIIO-ZIAGYGMSSA-N -1 0 302.374 1.692 50 0 DDAARM Cc1cc(C)n(CC(=O)NN=Cc2ccccc2C(=O)[O-])n1 ZINC000254484502 698407455 /nfs/dbraw/zinc/40/74/55/698407455.db2.gz CZBCOCYYTMTLKI-UHFFFAOYSA-N -1 0 300.318 1.348 50 0 DDAARM Cc1cccc(OC[C@@H](O)CNC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000262371009 698466690 /nfs/dbraw/zinc/46/66/90/698466690.db2.gz LRNFHILPOMVNQQ-LBPRGKRZSA-N -1 0 319.313 1.456 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCCO2)c(Cl)c1 ZINC000389071128 699087515 /nfs/dbraw/zinc/08/75/15/699087515.db2.gz WSXIFVCINWXRCW-UHFFFAOYSA-N -1 0 305.739 1.754 50 0 DDAARM O=C([O-])[C@H](NCc1nnc2n1CCCCC2)c1ccccc1 ZINC000864097354 706066393 /nfs/dbraw/zinc/06/63/93/706066393.db2.gz UEEYUVAETGKTRR-OAHLLOKOSA-N -1 0 300.362 1.920 50 0 DDAARM Cn1cc(C=CC(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)cn1 ZINC000877871164 706229146 /nfs/dbraw/zinc/22/91/46/706229146.db2.gz LQMFSUDUXZMSPJ-ISALQUGTSA-N -1 0 305.338 1.013 50 0 DDAARM CCOCc1nc(C)cc(N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000929084757 713543097 /nfs/dbraw/zinc/54/30/97/713543097.db2.gz ISRUREKXBYVDIF-NSHDSACASA-N -1 0 318.381 1.529 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000585139567 771967322 /nfs/dbraw/zinc/96/73/22/771967322.db2.gz RFGQYTAHMMIKOF-BXKDBHETSA-N -1 0 308.300 1.194 50 0 DDAARM CN(C)[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000095527273 185378663 /nfs/dbraw/zinc/37/86/63/185378663.db2.gz GNLHPWPMEFQZBE-CQSZACIVSA-N -1 0 308.353 1.752 50 0 DDAARM Cc1cccc(C[C@@H](CNC(=O)Cn2cccn2)C(=O)[O-])c1 ZINC000097018770 185397968 /nfs/dbraw/zinc/39/79/68/185397968.db2.gz LRHUDJTXFARHQO-AWEZNQCLSA-N -1 0 301.346 1.251 50 0 DDAARM O=C([O-])[C@H](NC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCOC1 ZINC000225487069 201720126 /nfs/dbraw/zinc/72/01/26/201720126.db2.gz MIKGEHKFZGUIAG-GXTWGEPZSA-N -1 0 304.346 1.787 50 0 DDAARM CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000069848872 190829704 /nfs/dbraw/zinc/82/97/04/190829704.db2.gz KKOZBYXRNRDPLV-VHSXEESVSA-N -1 0 318.192 1.628 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)c(C(N)=O)c2)[C@@H]1C(=O)[O-] ZINC000071284282 190952996 /nfs/dbraw/zinc/95/29/96/190952996.db2.gz NWAQMSULAOFQPH-VHSXEESVSA-N -1 0 310.737 1.734 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1Cc1cccc2c1OC(F)(F)O2 ZINC000072133630 191045557 /nfs/dbraw/zinc/04/55/57/191045557.db2.gz BUVNEUGDUPMNFT-SNVBAGLBSA-N -1 0 315.272 1.684 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)CCNc1ccccc1 ZINC000072270785 191093619 /nfs/dbraw/zinc/09/36/19/191093619.db2.gz ZUAZQFCKKRUIQF-UHFFFAOYSA-N -1 0 323.374 1.599 50 0 DDAARM Cn1cc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000072474377 191177380 /nfs/dbraw/zinc/17/73/80/191177380.db2.gz OGEBUOWNBBOQFF-AWEZNQCLSA-N -1 0 302.330 1.033 50 0 DDAARM CC(C)Oc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000003901214 181055106 /nfs/dbraw/zinc/05/51/06/181055106.db2.gz VFDKPCMWNWCRMX-UHFFFAOYSA-N -1 0 304.346 1.683 50 0 DDAARM COc1ccc(CN2CCn3nc(C(=O)[O-])cc3C2=O)cc1 ZINC000004042344 181065631 /nfs/dbraw/zinc/06/56/31/181065631.db2.gz KUYNHQUMVLCYFW-UHFFFAOYSA-N -1 0 301.302 1.246 50 0 DDAARM O=C([O-])CCC(=O)NCC(=O)c1ccc(OC(F)F)cc1 ZINC000004334702 181099062 /nfs/dbraw/zinc/09/90/62/181099062.db2.gz BALASPHQCPCFRY-UHFFFAOYSA-N -1 0 301.245 1.452 50 0 DDAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)C1 ZINC000004670192 181134582 /nfs/dbraw/zinc/13/45/82/181134582.db2.gz BIJPYEGILDRZEE-TUAOUCFPSA-N -1 0 304.412 1.006 50 0 DDAARM COc1cc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C)cc(OC)c1OC ZINC000387121258 354633480 /nfs/dbraw/zinc/63/34/80/354633480.db2.gz ZAMKPCSFAJVUMD-NOZJJQNGSA-N -1 0 309.318 1.316 50 0 DDAARM O=C([O-])C[S@](=O)CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000005248916 181220947 /nfs/dbraw/zinc/22/09/47/181220947.db2.gz SNCSZHAKDUJMGZ-NRFANRHFSA-N -1 0 323.292 1.155 50 0 DDAARM CCn1nc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1=O ZINC000236961214 202096198 /nfs/dbraw/zinc/09/61/98/202096198.db2.gz PTUADXSDYCEZMS-LLVKDONJSA-N -1 0 307.350 1.123 50 0 DDAARM O=C([O-])CN1C(=O)S/C(=C2/C(=O)Nc3ccccc32)C1=O ZINC000001472480 304067023 /nfs/dbraw/zinc/06/70/23/304067023.db2.gz JVBFYIXBOLXBJC-MDZDMXLPSA-N -1 0 304.283 1.130 50 0 DDAARM O=C([O-])CSCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000014113258 304072820 /nfs/dbraw/zinc/07/28/20/304072820.db2.gz AFGUFEASOFCUCV-UHFFFAOYSA-N -1 0 316.342 1.427 50 0 DDAARM Cn1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1-c1ccccc1 ZINC000237713383 202334707 /nfs/dbraw/zinc/33/47/07/202334707.db2.gz CYTSREWJROFYNH-OAHLLOKOSA-N -1 0 314.341 1.618 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000237700946 202331549 /nfs/dbraw/zinc/33/15/49/202331549.db2.gz JGDUYRJUCZUPSV-GFCCVEGCSA-N -1 0 301.302 1.592 50 0 DDAARM Cc1nc(-c2c[nH]c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2)cs1 ZINC000237785230 202354578 /nfs/dbraw/zinc/35/45/78/202354578.db2.gz XATLEZAMTVHYDD-GFCCVEGCSA-N -1 0 321.358 1.372 50 0 DDAARM Cc1ccc2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)[nH]c2c1 ZINC000237888645 202380373 /nfs/dbraw/zinc/38/03/73/202380373.db2.gz AVIYZSPFRJYYAG-LBPRGKRZSA-N -1 0 302.330 1.792 50 0 DDAARM COC(=O)CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000006452795 181342196 /nfs/dbraw/zinc/34/21/96/181342196.db2.gz HLISJIZSCIJHOP-SNVBAGLBSA-N -1 0 303.343 1.308 50 0 DDAARM O=C([O-])[C@@H]1CN(c2nc(CO)cs2)C[C@H]1c1ccccn1 ZINC000091707908 193094902 /nfs/dbraw/zinc/09/49/02/193094902.db2.gz MWNLKCWRSAKTEA-GHMZBOCLSA-N -1 0 305.359 1.335 50 0 DDAARM COc1cccc(OCC(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000221260225 201584971 /nfs/dbraw/zinc/58/49/71/201584971.db2.gz IBBBSAZPQNSDTI-LBPRGKRZSA-N -1 0 307.346 1.930 50 0 DDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)CCn2ccccc2=O)C1 ZINC000091536336 284022152 /nfs/dbraw/zinc/02/21/52/284022152.db2.gz CETJFLBUMFZIQI-KRWDZBQOSA-N -1 0 320.389 1.732 50 0 DDAARM Cc1nc2[n-]c(NC(=O)c3ccccc3F)nn2c(=O)c1Cl ZINC000100650750 291462272 /nfs/dbraw/zinc/46/22/72/291462272.db2.gz PRBAMHBLJANONB-UHFFFAOYSA-N -1 0 321.699 1.771 50 0 DDAARM Cc1nc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)no1 ZINC000262274090 203246702 /nfs/dbraw/zinc/24/67/02/203246702.db2.gz YNTKHVJTOGTDFH-UHFFFAOYSA-N -1 0 319.317 1.388 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCOC2CCOCC2)c2ccccc21 ZINC000262685210 203382205 /nfs/dbraw/zinc/38/22/05/203382205.db2.gz AELYKKIZZZHMMP-AWEZNQCLSA-N -1 0 319.357 1.787 50 0 DDAARM COc1ccccc1OCCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262921299 203414079 /nfs/dbraw/zinc/41/40/79/203414079.db2.gz GWKIYNVORSPGSD-LBPRGKRZSA-N -1 0 307.346 1.930 50 0 DDAARM COc1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000095970544 193467013 /nfs/dbraw/zinc/46/70/13/193467013.db2.gz DYEISTUQYGICIL-LBPRGKRZSA-N -1 0 315.329 1.159 50 0 DDAARM Cc1cc(C(=O)[N-]n2cnc3ccc(Cl)cc3c2=O)on1 ZINC000008327152 181549021 /nfs/dbraw/zinc/54/90/21/181549021.db2.gz DFZUXAZIIPJDRD-UHFFFAOYSA-N -1 0 304.693 1.730 50 0 DDAARM CSC1(CNC(=O)c2ccc(C(=O)[O-])nc2)CCOCC1 ZINC000266019052 205031785 /nfs/dbraw/zinc/03/17/85/205031785.db2.gz ABJQEBHVQGLYPG-UHFFFAOYSA-N -1 0 310.375 1.422 50 0 DDAARM COc1ccc([C@H](C)NC(=O)Cn2ccc(C(=O)[O-])n2)cc1 ZINC000020320505 182206374 /nfs/dbraw/zinc/20/63/74/182206374.db2.gz UESGMKTWCSBYNZ-JTQLQIEISA-N -1 0 303.318 1.467 50 0 DDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020267489 182201657 /nfs/dbraw/zinc/20/16/57/182201657.db2.gz FXDAKYBSAFPBBE-YPKPFQOOSA-N -1 0 313.357 1.681 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1O ZINC000100247768 193796917 /nfs/dbraw/zinc/79/69/17/193796917.db2.gz KNWRWNACPFMHBP-SNVBAGLBSA-N -1 0 302.290 1.284 50 0 DDAARM Cc1cc(=O)n2nc(CC(=O)NCCc3ccccc3)[n-]c2n1 ZINC000102726712 193922039 /nfs/dbraw/zinc/92/20/39/193922039.db2.gz HLCMQOHIOJXVEN-UHFFFAOYSA-N -1 0 311.345 1.040 50 0 DDAARM CCN(CC)S(=O)(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000241653393 284750536 /nfs/dbraw/zinc/75/05/36/284750536.db2.gz PUUFPZINZBTQIE-TUAOUCFPSA-N -1 0 304.412 1.291 50 0 DDAARM Cc1c(Cl)cccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062132680 184207854 /nfs/dbraw/zinc/20/78/54/184207854.db2.gz AQBKKJVLHFWXGI-VIFPVBQESA-N -1 0 303.767 1.744 50 0 DDAARM CCN1C(C(=O)[O-])=C(OC)c2cc(Cl)ccc2S1(=O)=O ZINC000299804098 285179427 /nfs/dbraw/zinc/17/94/27/285179427.db2.gz ZEPMYRLSXKQIAI-UHFFFAOYSA-N -1 0 317.750 1.764 50 0 DDAARM CC(C)N1C[C@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1=O ZINC000236594727 257239114 /nfs/dbraw/zinc/23/91/14/257239114.db2.gz NOKRHQRCFWMJCH-CHWSQXEVSA-N -1 0 310.394 1.347 50 0 DDAARM Cc1ccc(-c2nc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cs2)o1 ZINC000268977087 257256570 /nfs/dbraw/zinc/25/65/70/257256570.db2.gz KGKSFSKKRBGXIH-SNVBAGLBSA-N -1 0 322.342 1.637 50 0 DDAARM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000372952565 257261136 /nfs/dbraw/zinc/26/11/36/257261136.db2.gz IIFBMSBFFGWVBD-ZJUUUORDSA-N -1 0 322.327 1.614 50 0 DDAARM O=C([O-])c1nc[nH]c1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000097575055 304283858 /nfs/dbraw/zinc/28/38/58/304283858.db2.gz DKELRVNRPJVVFO-LLVKDONJSA-N -1 0 300.318 1.870 50 0 DDAARM CCOc1ccccc1[C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1 ZINC000095368955 286580284 /nfs/dbraw/zinc/58/02/84/286580284.db2.gz LFUVAEYSYXKCCY-HNNXBMFYSA-N -1 0 306.362 1.375 50 0 DDAARM CCC[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)C(=O)[O-] ZINC000002116097 406682333 /nfs/dbraw/zinc/68/23/33/406682333.db2.gz ONXVEHAZBASNDH-LBPRGKRZSA-N -1 0 319.313 1.541 50 0 biogenic DDAARM CCOc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2CCOC)cc1 ZINC000069737467 406762959 /nfs/dbraw/zinc/76/29/59/406762959.db2.gz OWEDEBNTWXEUMC-HIFRSBDPSA-N -1 0 307.346 1.706 50 0 DDAARM CNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000007779725 406767543 /nfs/dbraw/zinc/76/75/43/406767543.db2.gz NGFJUFZFLGZIBA-WDEREUQCSA-N -1 0 302.330 1.652 50 0 DDAARM O=C([O-])C1CCN(C(=O)CSc2nnc3ccccn32)CC1 ZINC000003320295 406716172 /nfs/dbraw/zinc/71/61/72/406716172.db2.gz UURRGBKVCSBUQB-UHFFFAOYSA-N -1 0 320.374 1.145 50 0 DDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1nc2ccccc2s1 ZINC000008757238 406795286 /nfs/dbraw/zinc/79/52/86/406795286.db2.gz YHDAQTWXADBQJU-UHFFFAOYSA-N -1 0 316.342 1.175 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1ccccc1S(C)(=O)=O)C(=O)[O-] ZINC000009550237 406811302 /nfs/dbraw/zinc/81/13/02/406811302.db2.gz OFPHYNUKDPHRPT-LLVKDONJSA-N -1 0 313.375 1.319 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cn1ccc(C(F)(F)F)n1 ZINC000070522432 406818600 /nfs/dbraw/zinc/81/86/00/406818600.db2.gz ISIDSVGOLWVZET-SFYZADRCSA-N -1 0 305.256 1.271 50 0 DDAARM CNC(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000070666468 406820122 /nfs/dbraw/zinc/82/01/22/406820122.db2.gz UEMAXIJRTGCKCQ-UHFFFAOYSA-N -1 0 312.325 1.926 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000071284471 406836200 /nfs/dbraw/zinc/83/62/00/406836200.db2.gz ZAIOFDPMSKXRFI-NEPJUHHUSA-N -1 0 304.302 1.962 50 0 DDAARM CN(C)C(=O)Cc1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071285109 406836231 /nfs/dbraw/zinc/83/62/31/406836231.db2.gz QLWOAIMSJKYMEJ-UONOGXRCSA-N -1 0 318.373 1.613 50 0 DDAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)NC1CCCC1 ZINC000012415538 406845896 /nfs/dbraw/zinc/84/58/96/406845896.db2.gz VJZNELLUXNDLDH-UHFFFAOYSA-N -1 0 321.402 1.848 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1OC ZINC000014000438 406870347 /nfs/dbraw/zinc/87/03/47/406870347.db2.gz NYNVKFQJJYOTKZ-DOMZBBRYSA-N -1 0 307.346 1.706 50 0 DDAARM CS(=O)(=O)c1cc(F)ccc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000016158937 406882281 /nfs/dbraw/zinc/88/22/81/406882281.db2.gz AAYAFMIVXVHLIJ-SECBINFHSA-N -1 0 301.339 1.530 50 0 DDAARM Cc1cc(C(=O)[O-])c2c(C3CC3)nn(CC(=O)NC(C)C)c2n1 ZINC000012396401 406844549 /nfs/dbraw/zinc/84/45/49/406844549.db2.gz FDTLMGDLQFBPDP-UHFFFAOYSA-N -1 0 316.361 1.840 50 0 DDAARM [O-]c1c([C@@H](c2ccccc2)N2CCOCC2)sc2ncnn12 ZINC000033384229 406960291 /nfs/dbraw/zinc/96/02/91/406960291.db2.gz FYFIVJPFVRDBNE-GFCCVEGCSA-N -1 0 316.386 1.918 50 0 DDAARM C[C@@H](NC(=O)CCCc1ccc(Cl)cc1)c1n[nH]c(=O)[n-]1 ZINC000077341307 406985723 /nfs/dbraw/zinc/98/57/23/406985723.db2.gz IAFUBWBUHNUQAI-SECBINFHSA-N -1 0 308.769 1.952 50 0 DDAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C2CC2)cc1OC ZINC000045922920 407050470 /nfs/dbraw/zinc/05/04/70/407050470.db2.gz SXSUWMPDTOUXIB-IAQYHMDHSA-N -1 0 305.330 1.840 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000049871610 407125651 /nfs/dbraw/zinc/12/56/51/407125651.db2.gz SOBNTSFTZNENHA-NSHDSACASA-N -1 0 318.156 1.848 50 0 DDAARM CCOc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1CO ZINC000052096474 407147528 /nfs/dbraw/zinc/14/75/28/407147528.db2.gz RZVREVGTVINONY-UHFFFAOYSA-N -1 0 311.363 1.112 50 0 DDAARM CCN(Cc1nc(COC)no1)Cc1ccccc1C(=O)[O-] ZINC000055255830 407198881 /nfs/dbraw/zinc/19/88/81/407198881.db2.gz MKZYQLRVTUXKOQ-UHFFFAOYSA-N -1 0 305.334 1.936 50 0 DDAARM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)no1 ZINC000095385069 407212621 /nfs/dbraw/zinc/21/26/21/407212621.db2.gz HDLSSTVNGHRGHS-GFCCVEGCSA-N -1 0 306.322 1.523 50 0 DDAARM COc1ccc(-n2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000095971430 407218525 /nfs/dbraw/zinc/21/85/25/407218525.db2.gz QXFBLNKMRMVWBQ-LLVKDONJSA-N -1 0 315.329 1.428 50 0 DDAARM Cc1cccc([N-]S(=O)(=O)c2cc3n(c2)CCCNC3=O)c1 ZINC000065258626 407241240 /nfs/dbraw/zinc/24/12/40/407241240.db2.gz WRIIKRMQNUXCLC-UHFFFAOYSA-N -1 0 319.386 1.731 50 0 DDAARM COCc1nc([C@H]2CCOC2)nn1-c1ccccc1C(=O)[O-] ZINC000097480343 407298395 /nfs/dbraw/zinc/29/83/95/407298395.db2.gz QRCDROORCKJIBG-JTQLQIEISA-N -1 0 303.318 1.616 50 0 DDAARM COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Br)c1O ZINC000100280192 407307649 /nfs/dbraw/zinc/30/76/49/407307649.db2.gz DZBRREFWOOFABV-CLTKARDFSA-N -1 0 313.107 1.344 50 0 DDAARM COCCC1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cn2)CC1 ZINC000124089215 407347937 /nfs/dbraw/zinc/34/79/37/407347937.db2.gz BZXNJNRAKKHFFW-UHFFFAOYSA-N -1 0 318.782 1.357 50 0 DDAARM CN(CC(C)(C)O)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000170651443 407465568 /nfs/dbraw/zinc/46/55/68/407465568.db2.gz ZCPJAFTZDDIRAP-UHFFFAOYSA-N -1 0 307.375 1.055 50 0 DDAARM NC1=NN(c2ccccc2)C(=O)C1=NNc1ccccc1C(=O)[O-] ZINC000254753217 407466609 /nfs/dbraw/zinc/46/66/09/407466609.db2.gz XCOYWYJEOAJARJ-UHFFFAOYSA-N -1 0 323.312 1.472 50 0 DDAARM C[C@@H](CN1CCCC1=O)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170631997 407459989 /nfs/dbraw/zinc/45/99/89/407459989.db2.gz AJVDEYIKRQWRDQ-VIFPVBQESA-N -1 0 319.386 1.857 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3)o2)CCO1 ZINC000262153787 407753540 /nfs/dbraw/zinc/75/35/40/407753540.db2.gz UIDCTSGLLSTETK-ZDUSSCGKSA-N -1 0 317.297 1.998 50 0 DDAARM Cc1nn(C)c(=O)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1C ZINC000237797854 407841057 /nfs/dbraw/zinc/84/10/57/407841057.db2.gz DVXYMUJTTVKORE-LBPRGKRZSA-N -1 0 321.377 1.114 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000238061046 407881082 /nfs/dbraw/zinc/88/10/82/407881082.db2.gz JHXAMTOIENQZRE-AWEZNQCLSA-N -1 0 316.357 1.580 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cn(Cc3ccccc3)nn2)C1 ZINC000238080387 407883396 /nfs/dbraw/zinc/88/33/96/407883396.db2.gz MVDCPRKJQFRKPS-ZDUSSCGKSA-N -1 0 314.345 1.263 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)C1 ZINC000238084953 407888092 /nfs/dbraw/zinc/88/80/92/407888092.db2.gz ZNJVNLUJIMLCNT-AWEZNQCLSA-N -1 0 313.357 1.738 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(-c3cccs3)n[nH]2)CCO1 ZINC000238198274 407898213 /nfs/dbraw/zinc/89/82/13/407898213.db2.gz SLLFQNBIZZJERK-SECBINFHSA-N -1 0 321.358 1.454 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 ZINC000238199040 407899478 /nfs/dbraw/zinc/89/94/78/407899478.db2.gz RSHRXZRKZCRSOP-CQSZACIVSA-N -1 0 315.329 1.188 50 0 DDAARM CC(C)Oc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)n1 ZINC000262837131 407952154 /nfs/dbraw/zinc/95/21/54/407952154.db2.gz RSJSUDIFSXKQGY-SMDDNHRTSA-N -1 0 322.361 1.478 50 0 DDAARM COc1nc(C)ccc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000262851178 407955256 /nfs/dbraw/zinc/95/52/56/407955256.db2.gz DPNRHCYPCMDMTL-LOWVWBTDSA-N -1 0 304.346 1.724 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)c2cnn3c2CCCC3)n1 ZINC000263214105 408058002 /nfs/dbraw/zinc/05/80/02/408058002.db2.gz ZYWRVHSKECPJSD-UHFFFAOYSA-N -1 0 320.374 1.347 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1snnc1C ZINC000263333157 408109297 /nfs/dbraw/zinc/10/92/97/408109297.db2.gz MQYVXCNYOMYXNO-UHFFFAOYSA-N -1 0 321.358 1.526 50 0 DDAARM CNc1nc(C)cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000263394144 408127505 /nfs/dbraw/zinc/12/75/05/408127505.db2.gz FDLUGZMKUJUUAC-DRZSPHRISA-N -1 0 318.377 1.685 50 0 DDAARM O=C([O-])COc1cccc(C(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000263518044 408162384 /nfs/dbraw/zinc/16/23/84/408162384.db2.gz FRYNASCJNLFISV-AWEZNQCLSA-N -1 0 305.330 1.401 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000191566037 408446235 /nfs/dbraw/zinc/44/62/35/408446235.db2.gz UGWXXQIIBBNCHE-NXEZZACHSA-N -1 0 322.748 1.891 50 0 DDAARM Cc1c(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)cnn1C ZINC000193079553 408692636 /nfs/dbraw/zinc/69/26/36/408692636.db2.gz LZXJGVGJUQISSM-INIZCTEOSA-N -1 0 301.346 1.501 50 0 DDAARM Cn1cc(C(N)=O)cc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163616527 408784092 /nfs/dbraw/zinc/78/40/92/408784092.db2.gz ATRYYGCKNVLWRA-UHFFFAOYSA-N -1 0 316.342 1.806 50 0 DDAARM O=C([O-])c1ccccc1C=NN1C(=O)NC2(CCCCC2)C1=O ZINC000252452663 408793963 /nfs/dbraw/zinc/79/39/63/408793963.db2.gz UWLXYCJAUOZVOD-UHFFFAOYSA-N -1 0 315.329 1.973 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc32)cc1 ZINC000238129354 163398131 /nfs/dbraw/zinc/39/81/31/163398131.db2.gz HWNHPVYDGPRGBN-UHFFFAOYSA-N -1 0 323.308 1.551 50 0 DDAARM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)N1CCCC1=O ZINC000261885295 163721514 /nfs/dbraw/zinc/72/15/14/163721514.db2.gz AXFQDUUBPPUZIO-LBPRGKRZSA-N -1 0 308.309 1.863 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000262361000 163813714 /nfs/dbraw/zinc/81/37/14/163813714.db2.gz WKOJKQJWTLWQHP-HNNXBMFYSA-N -1 0 303.358 1.420 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1c1cn[nH]n1 ZINC000299777820 410619882 /nfs/dbraw/zinc/61/98/82/410619882.db2.gz FFBJKAAGLWUSNR-JGVFFNPUSA-N -1 0 324.724 1.382 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000337670498 410930843 /nfs/dbraw/zinc/93/08/43/410930843.db2.gz UHQHSBSVMWPPLW-CYBMUJFWSA-N -1 0 319.357 1.714 50 0 DDAARM Cc1ccsc1C(=O)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102989973 418495553 /nfs/dbraw/zinc/49/55/53/418495553.db2.gz JLSUUDLMVNOHBP-UHFFFAOYSA-N -1 0 314.370 1.591 50 0 DDAARM COC(=O)CCc1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O ZINC000103102487 418496553 /nfs/dbraw/zinc/49/65/53/418496553.db2.gz OFUDJOXYIXXMQT-UHFFFAOYSA-N -1 0 300.318 1.868 50 0 DDAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000213915198 418558614 /nfs/dbraw/zinc/55/86/14/418558614.db2.gz ZQSXVAQOMJBAKD-WSNITJDQSA-N -1 0 311.769 1.718 50 0 DDAARM Cc1ccccc1OC[C@H](O)C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000216979909 418560316 /nfs/dbraw/zinc/56/03/16/418560316.db2.gz CZXULNZOAZUZEL-LBPRGKRZSA-N -1 0 319.313 1.342 50 0 DDAARM Cc1cc(C)c(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@H]2C)cc1C ZINC000426522946 228582904 /nfs/dbraw/zinc/58/29/04/228582904.db2.gz PNLUMHZSIXXKNX-CYBMUJFWSA-N -1 0 318.373 1.369 50 0 DDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)c1ccccc1-n1cncn1 ZINC000426574957 419510542 /nfs/dbraw/zinc/51/05/42/419510542.db2.gz DKXSZVICRGRUBK-GFCCVEGCSA-N -1 0 302.334 1.496 50 0 DDAARM O=C([O-])C1(NC(=O)c2cccc3c2CCC3=O)CCOCC1 ZINC000426602317 419515470 /nfs/dbraw/zinc/51/54/70/419515470.db2.gz AYSFYJJRIQXWAH-UHFFFAOYSA-N -1 0 303.314 1.179 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000299742134 229380421 /nfs/dbraw/zinc/38/04/21/229380421.db2.gz HCNMHBMGAFYXJB-LBPRGKRZSA-N -1 0 304.281 1.096 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000299751481 229394935 /nfs/dbraw/zinc/39/49/35/229394935.db2.gz QQEJKTZNNVLEPV-GIPNMCIBSA-N -1 0 311.284 1.585 50 0 DDAARM O=C([O-])[C@H](CNC(=O)c1cnn(C2CC2)c1)c1ccc(F)cc1 ZINC000630178507 421940397 /nfs/dbraw/zinc/94/03/97/421940397.db2.gz SJTVTPMSMRCPMQ-CQSZACIVSA-N -1 0 317.320 1.955 50 0 DDAARM CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000012336389 278382250 /nfs/dbraw/zinc/38/22/50/278382250.db2.gz KEMNWHGXIQXFNZ-SNVBAGLBSA-N -1 0 312.366 1.319 50 0 DDAARM CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262843647 278475341 /nfs/dbraw/zinc/47/53/41/278475341.db2.gz AKHXOXHHVQGYFC-LLVKDONJSA-N -1 0 319.423 1.303 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@H](CC(=O)[O-])C3)coc2c1 ZINC000237871541 281886504 /nfs/dbraw/zinc/88/65/04/281886504.db2.gz LRXARANYRMGIKY-CYBMUJFWSA-N -1 0 317.341 1.986 50 0 DDAARM CN1C[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C(=O)[O-])c2)C1=O ZINC000263420405 290292583 /nfs/dbraw/zinc/29/25/83/290292583.db2.gz LAHHCEQTMCZMRI-CHWSQXEVSA-N -1 0 302.330 1.078 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000237471123 301629376 /nfs/dbraw/zinc/62/93/76/301629376.db2.gz BSZQQFNIKMBEKO-DGCLKSJQSA-N -1 0 304.346 1.185 50 0 DDAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000089702016 302314548 /nfs/dbraw/zinc/31/45/48/302314548.db2.gz OXYYBCMERDWXSL-WDEREUQCSA-N -1 0 314.432 1.617 50 0 DDAARM Cc1noc(C)c1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000262393414 302839187 /nfs/dbraw/zinc/83/91/87/302839187.db2.gz BNCUCSJKXQZGGC-OAHLLOKOSA-N -1 0 314.341 1.872 50 0 DDAARM Cn1c2nc(-c3ccco3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615582 302897912 /nfs/dbraw/zinc/89/79/12/302897912.db2.gz UTIQFBZAYOFYNV-UHFFFAOYSA-N -1 0 303.299 1.575 50 0 DDAARM COc1cccc(CC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000531747752 303254551 /nfs/dbraw/zinc/25/45/51/303254551.db2.gz OVRLEHCIWCMOOE-UHFFFAOYSA-N -1 0 307.346 1.330 50 0 DDAARM O=C(NCc1cccc(-c2nn[nH]n2)c1)c1ncoc1C1CC1 ZINC000534640028 334310815 /nfs/dbraw/zinc/31/08/15/334310815.db2.gz IPGDGVNYHVCLRC-UHFFFAOYSA-N -1 0 310.317 1.662 50 0 DDAARM Cc1noc(C)c1C[C@H](C)NS(=O)(=O)c1ccccc1[O-] ZINC000585091875 483920939 /nfs/dbraw/zinc/92/09/39/483920939.db2.gz ABHUFFIOQCGZSW-VIFPVBQESA-N -1 0 310.375 1.907 50 0 DDAARM C[C@@H](C(=O)N[C@](C)(C(=O)[O-])c1ccccc1)c1ccnn1C ZINC000663140197 484698227 /nfs/dbraw/zinc/69/82/27/484698227.db2.gz BIRVYRCUIALGJS-BZNIZROVSA-N -1 0 301.346 1.640 50 0 DDAARM CN(C(=O)c1ccc(N2CCCC2=O)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659226986 484698834 /nfs/dbraw/zinc/69/88/34/484698834.db2.gz OWYZNQDYIHYPOG-XBXGTLAGSA-N -1 0 316.357 1.749 50 0 DDAARM CCCC[C@@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1cccnc1 ZINC000670440482 484831606 /nfs/dbraw/zinc/83/16/06/484831606.db2.gz QTLLTYJHTUIQPX-CYBMUJFWSA-N -1 0 316.361 1.873 50 0 DDAARM CC1=NS(=O)(=O)N(Cc2cccc(Cl)c2)C=C1C(=O)[O-] ZINC000169771810 490679101 /nfs/dbraw/zinc/67/91/01/490679101.db2.gz FFCSSUAKCMNNCV-UHFFFAOYSA-N -1 0 314.750 1.830 50 0 DDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cccc1N1CCNC1=O ZINC000299745426 533764600 /nfs/dbraw/zinc/76/46/00/533764600.db2.gz ZAMJALKBEQWLIV-NSHDSACASA-N -1 0 317.345 1.071 50 0 DDAARM O=C([O-])C1(NC(=O)CCn2c(CO)nc3ccccc32)CCC1 ZINC000426497046 534483300 /nfs/dbraw/zinc/48/33/00/534483300.db2.gz WSIJSXJJGXMYOB-UHFFFAOYSA-N -1 0 317.345 1.042 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC000299395903 534520265 /nfs/dbraw/zinc/52/02/65/534520265.db2.gz LPEACOFENYTTLG-LLVKDONJSA-N -1 0 300.314 1.877 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc21 ZINC000299744717 534522020 /nfs/dbraw/zinc/52/20/20/534522020.db2.gz UMQFNWRQYYRHSG-ZWNOBZJWSA-N -1 0 300.314 1.924 50 0 DDAARM CC(C)Oc1cccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000328595460 528211852 /nfs/dbraw/zinc/21/18/52/528211852.db2.gz VPMZEECOAVTICN-LFAOLKIESA-N -1 0 319.357 1.799 50 0 DDAARM O=C([O-])CNc1ccccc1C(=O)N1CCCC[C@H]1CCO ZINC000055089368 696281664 /nfs/dbraw/zinc/28/16/64/696281664.db2.gz LNMOUGUXAMVTPC-LBPRGKRZSA-N -1 0 306.362 1.560 50 0 DDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000263531396 698512133 /nfs/dbraw/zinc/51/21/33/698512133.db2.gz WRQCMIYLWXDRMH-DTWKUNHWSA-N -1 0 319.329 1.839 50 0 DDAARM C[C@H]1Cc2cc(C(=O)NC3(CC(=O)[O-])CCOCC3)ccc2O1 ZINC000851597445 703812792 /nfs/dbraw/zinc/81/27/92/703812792.db2.gz UTONZYPDCYGINK-NSHDSACASA-N -1 0 319.357 1.764 50 0 DDAARM Cc1csc([C@H]2CN(c3cc(C(=O)[O-])ncn3)CCO2)n1 ZINC000871593163 707132029 /nfs/dbraw/zinc/13/20/29/707132029.db2.gz AZRHIHRMQYNLLD-SNVBAGLBSA-N -1 0 306.347 1.518 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2cnc3ccnn3c2)nc1C ZINC000585129389 771961252 /nfs/dbraw/zinc/96/12/52/771961252.db2.gz IFFMUCQBZSUJBY-UHFFFAOYSA-N -1 0 306.351 1.055 50 0 DDAARM CCN1C[C@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)CCC1=O ZINC000095523259 185377768 /nfs/dbraw/zinc/37/77/68/185377768.db2.gz YYTVSKFVLAOXJP-CQSZACIVSA-N -1 0 318.373 1.302 50 0 DDAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCCC(=O)[O-])CC1=O ZINC000096595483 185384269 /nfs/dbraw/zinc/38/42/69/185384269.db2.gz YFGUMSXYIFLHBH-TZMCWYRMSA-N -1 0 318.373 1.577 50 0 DDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262740945 539275928 /nfs/dbraw/zinc/27/59/28/539275928.db2.gz JHRKYGFSASHCOF-SSDOTTSWSA-N -1 0 322.390 1.612 50 0 DDAARM Cn1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1=O ZINC000139255459 186021010 /nfs/dbraw/zinc/02/10/10/186021010.db2.gz YTURFFZNQLKTLD-CQSZACIVSA-N -1 0 314.341 1.721 50 0 DDAARM CCn1nc(CC(C)C)cc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000072173768 191069777 /nfs/dbraw/zinc/06/97/77/191069777.db2.gz IKTYMSMAXQSCFD-CYBMUJFWSA-N -1 0 323.393 1.417 50 0 DDAARM O=C(Nc1nccs1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662996 304018865 /nfs/dbraw/zinc/01/88/65/304018865.db2.gz MISSHFNKBBWFCQ-UHFFFAOYSA-N -1 0 313.338 1.972 50 0 DDAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000072447827 191168264 /nfs/dbraw/zinc/16/82/64/191168264.db2.gz FPMWVTWFTVEUBU-CYBMUJFWSA-N -1 0 319.357 1.548 50 0 DDAARM O=C([O-])[C@@H]1CN(Cc2cnc(-c3cccs3)nc2)CCO1 ZINC000072474836 191177588 /nfs/dbraw/zinc/17/75/88/191177588.db2.gz XSLQIOWQBBDPRX-NSHDSACASA-N -1 0 305.359 1.491 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(Cl)c(F)c2)CCOCC1 ZINC000236416285 304032853 /nfs/dbraw/zinc/03/28/53/304032853.db2.gz WBMMWKOGOUOPKX-UHFFFAOYSA-N -1 0 301.701 1.843 50 0 DDAARM Cn1ccnc1N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000076084275 353397437 /nfs/dbraw/zinc/39/74/37/353397437.db2.gz DAXFKNPHQMBUSF-UHFFFAOYSA-N -1 0 322.315 1.366 50 0 DDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)nc1 ZINC000003884165 181052470 /nfs/dbraw/zinc/05/24/70/181052470.db2.gz QHLDZCPKBKBYKO-UHFFFAOYSA-N -1 0 306.343 1.977 50 0 DDAARM Cc1cc(C)c(NC(=O)CSc2nncc(=O)[n-]2)c(C)c1 ZINC000004248956 181088083 /nfs/dbraw/zinc/08/80/83/181088083.db2.gz NQEATSUKTPILSM-UHFFFAOYSA-N -1 0 304.375 1.821 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(C(=O)CC(C)(C)C(=O)[O-])CC1 ZINC000230020797 354324487 /nfs/dbraw/zinc/32/44/87/354324487.db2.gz MANMIPWHESDDCW-UHFFFAOYSA-N -1 0 314.382 1.567 50 0 DDAARM Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](O)CC(=O)[O-])c1C ZINC000398254117 354656208 /nfs/dbraw/zinc/65/62/08/354656208.db2.gz YIIKFFNHPREHHD-LBPRGKRZSA-N -1 0 315.391 1.034 50 0 DDAARM O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000585134170 354811332 /nfs/dbraw/zinc/81/13/32/354811332.db2.gz GLAOVVJGMWSTPK-RISCZKNCSA-N -1 0 317.345 1.001 50 0 DDAARM Cc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000585140989 354814915 /nfs/dbraw/zinc/81/49/15/354814915.db2.gz NPEBCXIFJDCUEU-JTQLQIEISA-N -1 0 302.338 1.625 50 0 DDAARM Cn1ccnc1SCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000005297818 181227654 /nfs/dbraw/zinc/22/76/54/181227654.db2.gz CDNJDYLHDVDXIB-UHFFFAOYSA-N -1 0 312.376 1.235 50 0 DDAARM O=C([O-])c1ccc(NC(=O)C(=O)NC2CCCCC2)cc1O ZINC000005511699 181251825 /nfs/dbraw/zinc/25/18/25/181251825.db2.gz GWDNNKOWPLRUFQ-UHFFFAOYSA-N -1 0 306.318 1.478 50 0 DDAARM CN(CC(=O)[O-])C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000237156423 202170079 /nfs/dbraw/zinc/17/00/79/202170079.db2.gz FEMQTCLSFASOCB-LLVKDONJSA-N -1 0 310.737 1.236 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)Cc1c[nH]c2c1cccc2C ZINC000237273961 202212783 /nfs/dbraw/zinc/21/27/83/202212783.db2.gz SCWJFYCBMKDOFW-UHFFFAOYSA-N -1 0 304.346 1.578 50 0 DDAARM C[C@@H](c1ccc(F)cc1)N(C)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237594690 202296717 /nfs/dbraw/zinc/29/67/17/202296717.db2.gz VXLLSPGEQLXZOL-FZMZJTMJSA-N -1 0 308.353 1.894 50 0 DDAARM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1-n1cncn1 ZINC000237709549 202334372 /nfs/dbraw/zinc/33/43/72/202334372.db2.gz YBRNHRCOAYZQSJ-INIZCTEOSA-N -1 0 314.345 1.513 50 0 DDAARM Cc1cccc2c(CC(=O)N3CCO[C@H](CC(=O)[O-])C3)c[nH]c21 ZINC000237757159 202347365 /nfs/dbraw/zinc/34/73/65/202347365.db2.gz OBHUAOWEDFXFDF-CYBMUJFWSA-N -1 0 316.357 1.721 50 0 DDAARM Cc1nc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)cs1 ZINC000237821284 202363230 /nfs/dbraw/zinc/36/32/30/202363230.db2.gz GVOLTLGDDMSBGO-NSCUHMNNSA-N -1 0 310.375 1.557 50 0 DDAARM Cc1cnn(CCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000237908019 202387878 /nfs/dbraw/zinc/38/78/78/202387878.db2.gz OVUHGQGRDPVNTM-RDBSUJKOSA-N -1 0 305.378 1.826 50 0 DDAARM O=C([O-])CN(C(=O)c1ccn(C2CCCC2)n1)C1CCOCC1 ZINC000238114131 202443740 /nfs/dbraw/zinc/44/37/40/202443740.db2.gz UHMLLDSPUNLOCG-UHFFFAOYSA-N -1 0 321.377 1.704 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091390797 193049205 /nfs/dbraw/zinc/04/92/05/193049205.db2.gz XDWYCFBSOBRAPM-LSDHHAIUSA-N -1 0 319.405 1.539 50 0 DDAARM Cc1nnc(CCC(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)[nH]1 ZINC000091460182 193059885 /nfs/dbraw/zinc/05/98/85/193059885.db2.gz NZTYYPCNKBLQMZ-INIZCTEOSA-N -1 0 320.393 1.539 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ncoc2C2CC2)C1 ZINC000091695622 193094300 /nfs/dbraw/zinc/09/43/00/193094300.db2.gz KQBZOHKWFYMXQN-MRXNPFEDSA-N -1 0 322.361 1.896 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1ccccn1 ZINC000091915436 193125620 /nfs/dbraw/zinc/12/56/20/193125620.db2.gz HKERVMZZDGMYSV-CHWSQXEVSA-N -1 0 303.362 1.834 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000262450582 203296916 /nfs/dbraw/zinc/29/69/16/203296916.db2.gz WFDCKRAZCYXGLG-QWHCGFSZSA-N -1 0 307.321 1.668 50 0 DDAARM CS(=O)(=O)c1cc(NC(=O)C2CC=CC2)cc(C(=O)[O-])c1 ZINC000262771492 203401634 /nfs/dbraw/zinc/40/16/34/203401634.db2.gz MMBWDSNSADWNAG-UHFFFAOYSA-N -1 0 309.343 1.693 50 0 DDAARM CC[C@](C)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000094218580 193350213 /nfs/dbraw/zinc/35/02/13/193350213.db2.gz PQKFGZAHHXRQJT-AWEZNQCLSA-N -1 0 313.375 1.214 50 0 DDAARM Cc1ccc(C(=O)N[C@H](C(=O)NCCCC(=O)[O-])C(C)C)cc1 ZINC000095956886 193458772 /nfs/dbraw/zinc/45/87/72/193458772.db2.gz WNYZQLIPXPTFGD-HNNXBMFYSA-N -1 0 320.389 1.730 50 0 DDAARM COc1ccc(C(=O)[O-])c(OCC(=O)NCC(F)(F)F)c1 ZINC000013084303 181827067 /nfs/dbraw/zinc/82/70/67/181827067.db2.gz UGQLQCINFIASIK-UHFFFAOYSA-N -1 0 307.224 1.451 50 0 DDAARM COc1cccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)c1 ZINC000018161717 182095294 /nfs/dbraw/zinc/09/52/94/182095294.db2.gz CDPCLQMFHKCSOO-UHFFFAOYSA-N -1 0 307.331 1.215 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 ZINC000020200445 182197051 /nfs/dbraw/zinc/19/70/51/182197051.db2.gz GSJIEAKJDAMKDR-UHFFFAOYSA-N -1 0 317.794 1.966 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3c(cc2F)NC(=O)CC3)C1 ZINC000165586422 304183458 /nfs/dbraw/zinc/18/34/58/304183458.db2.gz FLGQHKFZQHLOQT-JTQLQIEISA-N -1 0 320.320 1.647 50 0 DDAARM CCn1c2ccc(NC(=O)CCC(=O)[O-])nc2n(CC)c1=O ZINC000037407997 182888778 /nfs/dbraw/zinc/88/87/78/182888778.db2.gz QGCDIBBJRDODAJ-UHFFFAOYSA-N -1 0 306.322 1.041 50 0 DDAARM CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000039984829 183026731 /nfs/dbraw/zinc/02/67/31/183026731.db2.gz IGJUEQYBNFMGBM-UHFFFAOYSA-N -1 0 309.347 1.534 50 0 DDAARM CC[C@@H](C)Oc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000102171507 193866143 /nfs/dbraw/zinc/86/61/43/193866143.db2.gz FLJWLKKWDHAGSC-SKDRFNHKSA-N -1 0 315.333 1.834 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2nccc3ccccc32)CCSC1 ZINC000043512498 183369299 /nfs/dbraw/zinc/36/92/99/183369299.db2.gz MIMJGHVFYXMFOU-HNNXBMFYSA-N -1 0 302.355 1.925 50 0 DDAARM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043702075 183381884 /nfs/dbraw/zinc/38/18/84/183381884.db2.gz AEVIBVZTBKJREX-BXKDBHETSA-N -1 0 313.737 1.419 50 0 DDAARM O=C([O-])CNc1cccc(C(=O)NCCCn2ccnc2)c1 ZINC000055036498 183958705 /nfs/dbraw/zinc/95/87/05/183958705.db2.gz JYVBXAAJHSAXTA-UHFFFAOYSA-N -1 0 302.334 1.200 50 0 DDAARM Cc1ccccc1NC(=O)CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000055227683 183972810 /nfs/dbraw/zinc/97/28/10/183972810.db2.gz QPVPZHZXRYWKRR-UHFFFAOYSA-N -1 0 304.346 1.647 50 0 DDAARM C[C@H](OCc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000268932526 207098362 /nfs/dbraw/zinc/09/83/62/207098362.db2.gz AUJMVVXFIFPGCO-JSGCOSHPSA-N -1 0 307.346 1.294 50 0 DDAARM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268950082 207115426 /nfs/dbraw/zinc/11/54/26/207115426.db2.gz PMAANSBIRHCEBV-WGQCWXIJSA-N -1 0 309.387 1.664 50 0 DDAARM CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000057842277 184056501 /nfs/dbraw/zinc/05/65/01/184056501.db2.gz NFSIVTXCCHAVQO-MRXNPFEDSA-N -1 0 304.346 1.836 50 0 DDAARM Cc1cccc2c(CC(=O)N3CCOC[C@H]3C(=O)[O-])c[nH]c21 ZINC000268979576 207140997 /nfs/dbraw/zinc/14/09/97/207140997.db2.gz MQTWHYGAXJNZID-ZDUSSCGKSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1nnn[n-]1 ZINC000065386321 184333307 /nfs/dbraw/zinc/33/33/07/184333307.db2.gz SPOKHGUOCHXPEA-LLVKDONJSA-N -1 0 302.382 1.921 50 0 DDAARM Cc1[nH]c2ccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2c1C ZINC000316565145 257242127 /nfs/dbraw/zinc/24/21/27/257242127.db2.gz BRTYJDJMOXZVFE-RISCZKNCSA-N -1 0 302.330 1.445 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)n1 ZINC000122979773 195529656 /nfs/dbraw/zinc/52/96/56/195529656.db2.gz MROHATKKSRAKIN-MNOVXSKESA-N -1 0 321.283 1.988 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1 ZINC000000066503 406619102 /nfs/dbraw/zinc/61/91/02/406619102.db2.gz SJISTPPJHYQHCI-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 biogenic DDAARM Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)[O-])ccc12 ZINC000000139294 406623988 /nfs/dbraw/zinc/62/39/88/406623988.db2.gz BKTYCTUBDJNJLN-VIFPVBQESA-N -1 0 305.286 1.070 50 0 biogenic DDAARM C[C@@H](NC(=O)CCCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002130573 406681719 /nfs/dbraw/zinc/68/17/19/406681719.db2.gz AQZNEHQVNGIDJG-SNVBAGLBSA-N -1 0 302.371 1.661 50 0 biogenic DDAARM CCOc1ccc(N[C@@H]2SC(=O)N(CCC(=O)[O-])C2=O)cc1 ZINC000002269406 406684533 /nfs/dbraw/zinc/68/45/33/406684533.db2.gz JEHMBDKZBCHLAV-GFCCVEGCSA-N -1 0 324.358 1.993 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000002884203 406705203 /nfs/dbraw/zinc/70/52/03/406705203.db2.gz UFXAITJBXLTQIQ-LLVKDONJSA-N -1 0 313.375 1.489 50 0 DDAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000002726541 406697101 /nfs/dbraw/zinc/69/71/01/406697101.db2.gz MZAMQYQULKHFKP-UHFFFAOYSA-N -1 0 321.310 1.914 50 0 DDAARM O=C(CCc1ccccc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000069593158 406738546 /nfs/dbraw/zinc/73/85/46/406738546.db2.gz KGAHYSRXRWDJOU-CQSZACIVSA-N -1 0 311.403 1.634 50 0 DDAARM C[C@@H](SCC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000006831301 406741890 /nfs/dbraw/zinc/74/18/90/406741890.db2.gz ZLCQZEVFZFLZAM-GFCCVEGCSA-N -1 0 308.403 1.542 50 0 DDAARM COc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])cc1 ZINC000003021232 406712188 /nfs/dbraw/zinc/71/21/88/406712188.db2.gz GPRPNZJUBMXNGB-UHFFFAOYSA-N -1 0 301.364 1.619 50 0 DDAARM CC1(C)[C@@H](C(=O)NNC(=O)[C@@H]2CC23CCC3)CC[C@]1(C)C(=O)[O-] ZINC000004088123 406724641 /nfs/dbraw/zinc/72/46/41/406724641.db2.gz ZLMAKDIFBKUXJD-OHUAYANFSA-N -1 0 322.405 1.851 50 0 DDAARM CCOC(=O)N=c1[n-]nc(S[C@H]2CCCCNC2=O)s1 ZINC000069972038 406799104 /nfs/dbraw/zinc/79/91/04/406799104.db2.gz ZYTYBJLGRJJCQE-ZETCQYMHSA-N -1 0 316.408 1.867 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071288622 406837817 /nfs/dbraw/zinc/83/78/17/406837817.db2.gz LQFAKDZMQHPHJB-MNOVXSKESA-N -1 0 324.764 1.995 50 0 DDAARM O=C([O-])c1ccc(OCC(=O)NC2CC2)c(Br)c1 ZINC000013035410 406858630 /nfs/dbraw/zinc/85/86/30/406858630.db2.gz JYPXLZOCGFSISB-UHFFFAOYSA-N -1 0 314.135 1.805 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000020547248 406887147 /nfs/dbraw/zinc/88/71/47/406887147.db2.gz CVMLKMDRPFYRRP-UHFFFAOYSA-N -1 0 314.344 1.651 50 0 DDAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)N1CCCCC1 ZINC000012375354 406843981 /nfs/dbraw/zinc/84/39/81/406843981.db2.gz DZAUAMOXUSUDTK-UHFFFAOYSA-N -1 0 323.418 1.721 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nn2C)cc1 ZINC000027934073 406914598 /nfs/dbraw/zinc/91/45/98/406914598.db2.gz YDYFYUFDGMLQQQ-UHFFFAOYSA-N -1 0 308.363 1.488 50 0 DDAARM Cc1ccc(Cl)cc1N1N[C@@H](O[C@@H](C)C(=O)[O-])C=CC1=O ZINC000032918622 406956045 /nfs/dbraw/zinc/95/60/45/406956045.db2.gz OEMVQYZSTAUHOE-CABZTGNLSA-N -1 0 310.737 1.872 50 0 DDAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436569 406989552 /nfs/dbraw/zinc/98/95/52/406989552.db2.gz PARGZCYEIOTURK-PORFMDCZSA-N -1 0 311.769 1.718 50 0 DDAARM Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000089702021 407144421 /nfs/dbraw/zinc/14/44/21/407144421.db2.gz ODAXMUCFCMNOAK-UHFFFAOYSA-N -1 0 316.448 1.836 50 0 DDAARM CC(C)CN1C[C@@H](C(=O)NC2(C(=O)[O-])CCCCC2)CC1=O ZINC000095349563 407207474 /nfs/dbraw/zinc/20/74/74/407207474.db2.gz JIBSBUZIUCNOIZ-LBPRGKRZSA-N -1 0 310.394 1.395 50 0 DDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1ccc(Cl)cn1)CC2 ZINC000095354375 407208187 /nfs/dbraw/zinc/20/81/87/407208187.db2.gz QMBJXGXQCCYWAG-LLVKDONJSA-N -1 0 323.780 1.637 50 0 DDAARM Cn1c(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])nc2ccccc21 ZINC000095507920 407213992 /nfs/dbraw/zinc/21/39/92/407213992.db2.gz FICNDGTUJSFIKX-AWEZNQCLSA-N -1 0 311.345 1.308 50 0 DDAARM Cc1cccc(N2C[C@@H](C(=O)N[C@H](C)CC(=O)[O-])CC2=O)c1C ZINC000095970393 407218800 /nfs/dbraw/zinc/21/88/00/407218800.db2.gz BJLOAAABTKRGNR-YPMHNXCESA-N -1 0 318.373 1.636 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2[n-]c1=S ZINC000102777491 407327444 /nfs/dbraw/zinc/32/74/44/407327444.db2.gz JIMRJXBFJSOMCY-JTQLQIEISA-N -1 0 319.386 1.131 50 0 DDAARM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1cnns1 ZINC000096500664 407273552 /nfs/dbraw/zinc/27/35/52/407273552.db2.gz HNDMCPSZNVXVEX-UHFFFAOYSA-N -1 0 304.310 1.638 50 0 DDAARM C[C@H]1C[C@H]1c1cc(NC(=O)c2c[n-]c3c(cnn3C)c2=O)n[nH]1 ZINC000097162488 407284249 /nfs/dbraw/zinc/28/42/49/407284249.db2.gz QWELWJSYCPFDEA-JGVFFNPUSA-N -1 0 312.333 1.360 50 0 DDAARM COC(=O)c1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000101606315 407312464 /nfs/dbraw/zinc/31/24/64/407312464.db2.gz QTSFWMJDDBNAOZ-NSHDSACASA-N -1 0 300.274 1.048 50 0 DDAARM C[C@@H](CN(C)C(=O)c1ccc(OC(F)F)cc1)c1nnn[n-]1 ZINC000124384025 407356568 /nfs/dbraw/zinc/35/65/68/407356568.db2.gz LIXIHONGFHARKR-QMMMGPOBSA-N -1 0 311.292 1.677 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C1CCN(c2cnccn2)CC1 ZINC000128606269 407554182 /nfs/dbraw/zinc/55/41/82/407554182.db2.gz QIUJTSNPDDQLBI-ZDUSSCGKSA-N -1 0 318.377 1.159 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1ccc(Br)s1 ZINC000224727159 407578747 /nfs/dbraw/zinc/57/87/47/407578747.db2.gz CGYQJDGONAZNNY-SFYZADRCSA-N -1 0 318.192 1.890 50 0 DDAARM O=C([O-])CNC(=O)c1c(F)cccc1I ZINC000225466256 407586237 /nfs/dbraw/zinc/58/62/37/407586237.db2.gz RFBSKZDCXCPBLF-UHFFFAOYSA-N -1 0 323.061 1.245 50 0 DDAARM COc1ccc2[nH]c(C(=O)NC3(C(=O)[O-])CCOCC3)cc2c1 ZINC000218721766 407522051 /nfs/dbraw/zinc/52/20/51/407522051.db2.gz RABLBVGHRDKTAO-UHFFFAOYSA-N -1 0 318.329 1.540 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000236714515 407757872 /nfs/dbraw/zinc/75/78/72/407757872.db2.gz QPTQYVZKZNUGJN-NSHDSACASA-N -1 0 308.309 1.573 50 0 DDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000237227246 407807639 /nfs/dbraw/zinc/80/76/39/407807639.db2.gz FENFKVXKLRNXDP-GFCCVEGCSA-N -1 0 310.394 1.491 50 0 DDAARM Cc1cc(C)cc(OCC(=O)N2CCN(CCC(=O)[O-])CC2)c1 ZINC000262564276 407868158 /nfs/dbraw/zinc/86/81/58/407868158.db2.gz WHBWKTXVDOJEKH-UHFFFAOYSA-N -1 0 320.389 1.301 50 0 DDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc(Cl)c[nH]1 ZINC000238092533 407890283 /nfs/dbraw/zinc/89/02/83/407890283.db2.gz IUOPYNIVBWJAFU-JTQLQIEISA-N -1 0 300.742 1.764 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000262833143 407951077 /nfs/dbraw/zinc/95/10/77/407951077.db2.gz YADLRZJPYBNIFO-AWEZNQCLSA-N -1 0 301.298 1.872 50 0 DDAARM CCOc1ccc(N([C@@H](CC)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000242687510 407915927 /nfs/dbraw/zinc/91/59/27/407915927.db2.gz UKLCNAWXAVOVTA-LBPRGKRZSA-N -1 0 301.364 1.715 50 0 DDAARM CCn1ccc2cc(CN3CCNC(=O)[C@@H]3CC(=O)[O-])ccc21 ZINC000243892584 407921319 /nfs/dbraw/zinc/92/13/19/407921319.db2.gz AJHOBLYOZYJUGE-HNNXBMFYSA-N -1 0 315.373 1.436 50 0 DDAARM O=C([O-])C1(NC(=O)c2scc3c2CCCC3)CCOCC1 ZINC000244724204 407934423 /nfs/dbraw/zinc/93/44/23/407934423.db2.gz MPUDSRWJXGJVMP-UHFFFAOYSA-N -1 0 309.387 1.991 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3ccc(F)cc3)CCCC2)CCO1 ZINC000262972767 407988501 /nfs/dbraw/zinc/98/85/01/407988501.db2.gz LYGYHOYWVPOTKI-AWEZNQCLSA-N -1 0 321.348 1.950 50 0 DDAARM Cc1cc2c(cc1C)[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CO2 ZINC000263220362 408062726 /nfs/dbraw/zinc/06/27/26/408062726.db2.gz YOXZWMWHBRSAFG-LBPRGKRZSA-N -1 0 315.329 1.699 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc2c(c1)N=S=N2 ZINC000263297628 408095812 /nfs/dbraw/zinc/09/58/12/408095812.db2.gz MRTYAVWBVIVUJW-SECBINFHSA-N -1 0 307.331 1.729 50 0 DDAARM Cc1cnc([C@@H](C)CNC(=O)c2cnc(C(=O)[O-])cn2)s1 ZINC000263436158 408137744 /nfs/dbraw/zinc/13/77/44/408137744.db2.gz OOONGFMTKDVWRV-ZETCQYMHSA-N -1 0 306.347 1.473 50 0 DDAARM CNc1nc(C)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000263565840 408176305 /nfs/dbraw/zinc/17/63/05/408176305.db2.gz FTJQBDYAEDVJNC-CYBMUJFWSA-N -1 0 314.345 1.252 50 0 DDAARM CC(C)[C@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)c2ccccc21 ZINC000278264314 409078058 /nfs/dbraw/zinc/07/80/58/409078058.db2.gz HFENCYBTLKZBBU-LLVKDONJSA-N -1 0 318.402 1.977 50 0 DDAARM CC[C@](CNC(=O)c1ccnn1C)(C(=O)[O-])c1ccccc1 ZINC000263096193 163914201 /nfs/dbraw/zinc/91/42/01/163914201.db2.gz VZZZLQBFNMKCOB-MRXNPFEDSA-N -1 0 301.346 1.583 50 0 DDAARM COC(=O)c1nnc(NC(=O)CSCc2cccc(C)c2)[n-]1 ZINC000048326174 418469261 /nfs/dbraw/zinc/46/92/61/418469261.db2.gz XEMXUFCUMOPJNE-UHFFFAOYSA-N -1 0 320.374 1.772 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000299746837 229389266 /nfs/dbraw/zinc/38/92/66/229389266.db2.gz BHMVEUVZDUGWFB-KFWWJZLASA-N -1 0 321.348 1.818 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000492233319 421216734 /nfs/dbraw/zinc/21/67/34/421216734.db2.gz SZHANHVMDIYWJA-TXNVCOODSA-N -1 0 305.330 1.650 50 0 DDAARM Cn1ncc(Cl)c1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000573340298 421950420 /nfs/dbraw/zinc/95/04/20/421950420.db2.gz QRJSWUDAMKGGNT-OAHLLOKOSA-N -1 0 321.764 1.846 50 0 DDAARM COc1cccc([C@H](NC(=O)[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)C(=O)[O-])c1 ZINC000630205665 421958428 /nfs/dbraw/zinc/95/84/28/421958428.db2.gz JZUFHFJCJQBDFE-TVMMDAIPSA-N -1 0 321.373 1.997 50 0 DDAARM COc1cccc(C[C@H](NC(=O)[C@@H]2O[C@@H](C)C[C@H]2C)C(=O)[O-])c1 ZINC000630246026 421985169 /nfs/dbraw/zinc/98/51/69/421985169.db2.gz ZUXCZZZOUFVRRA-FDRIWYBQSA-N -1 0 321.373 1.621 50 0 DDAARM COCc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F ZINC000583650578 422210160 /nfs/dbraw/zinc/21/01/60/422210160.db2.gz LRSJCHMDWBEMLY-LBPRGKRZSA-N -1 0 311.309 1.288 50 0 DDAARM O=C(N=c1ccc(C2CC2)n[n-]1)NCCO[C@H]1CCCCO1 ZINC000585119548 422306942 /nfs/dbraw/zinc/30/69/42/422306942.db2.gz KOSFISPSQOXQBS-AWEZNQCLSA-N -1 0 306.366 1.441 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1cc(C)ccc1C ZINC000643848486 423378833 /nfs/dbraw/zinc/37/88/33/423378833.db2.gz FOSDWSDXSLKVEN-QGZVFWFLSA-N -1 0 305.374 1.938 50 0 DDAARM Cc1c2ccccc2c(=O)[nH]c1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000655541244 424554900 /nfs/dbraw/zinc/55/49/00/424554900.db2.gz ZQCWFYALDXTSCI-LBPRGKRZSA-N -1 0 316.313 1.174 50 0 DDAARM CC(=O)N1CCC[C@H](C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C1 ZINC000299743870 278019808 /nfs/dbraw/zinc/01/98/08/278019808.db2.gz PQHBMLWWFABKLJ-XQLPTFJDSA-N -1 0 322.405 1.489 50 0 DDAARM C[C@H]1C[C@H](S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@@H](C)C1 ZINC000242498435 300527218 /nfs/dbraw/zinc/52/72/18/300527218.db2.gz HEBMTWRHIVRPRG-PJXYFTJBSA-N -1 0 303.424 1.938 50 0 DDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC000217966863 301126082 /nfs/dbraw/zinc/12/60/82/301126082.db2.gz XOKMQAIBWHHRFZ-AWEZNQCLSA-N -1 0 312.325 1.335 50 0 DDAARM Cc1cc(C)n(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000265569963 301237839 /nfs/dbraw/zinc/23/78/39/301237839.db2.gz LGAVBQFPKWPNIG-MCIONIFRSA-N -1 0 305.378 1.744 50 0 DDAARM Cc1nonc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000028249045 302861540 /nfs/dbraw/zinc/86/15/40/302861540.db2.gz NPYMXECXWIVTRS-UHFFFAOYSA-N -1 0 318.152 1.941 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nc1 ZINC000265298168 303342739 /nfs/dbraw/zinc/34/27/39/303342739.db2.gz JAWDYSORCRPCNN-XDTLVQLUSA-N -1 0 317.345 1.038 50 0 DDAARM CO[C@@H](C)CS(=O)(=O)Nc1cc(C)cc(F)c1C(=O)[O-] ZINC000663266886 484774134 /nfs/dbraw/zinc/77/41/34/484774134.db2.gz OIQAMSLKLFCUDI-QMMMGPOBSA-N -1 0 305.327 1.609 50 0 DDAARM COc1ccccc1/C=C\C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000492141839 533952879 /nfs/dbraw/zinc/95/28/79/533952879.db2.gz SZECDVVWZBAEBB-SREVYHEPSA-N -1 0 319.357 1.801 50 0 DDAARM C=CC(=O)NCc1ccc(C(=O)N=c2nc(C)[n-]s2)cc1 ZINC000490559804 526933630 /nfs/dbraw/zinc/93/36/30/526933630.db2.gz QIBJGIDYAPDBND-UHFFFAOYSA-N -1 0 302.359 1.323 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000299751493 528218276 /nfs/dbraw/zinc/21/82/76/528218276.db2.gz QREQOUIQPBNFQB-CQSZACIVSA-N -1 0 307.346 1.328 50 0 DDAARM CC(=O)Nc1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cn1 ZINC000067842716 696364869 /nfs/dbraw/zinc/36/48/69/696364869.db2.gz JHAGSPMVWAIQSF-UHFFFAOYSA-N -1 0 302.334 1.860 50 0 DDAARM COc1ccc(N)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000387698003 699082562 /nfs/dbraw/zinc/08/25/62/699082562.db2.gz LKYCVOJVCWJXPB-UHFFFAOYSA-N -1 0 323.330 1.986 50 0 DDAARM O=C([N-]Oc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000585126213 771958187 /nfs/dbraw/zinc/95/81/87/771958187.db2.gz SEYYJCISTFEQJF-ZETCQYMHSA-N -1 0 324.185 1.838 50 0 DDAARM CCc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1 ZINC000079102242 185158696 /nfs/dbraw/zinc/15/86/96/185158696.db2.gz PIPSTBPIDRQQJT-UHFFFAOYSA-N -1 0 303.347 1.488 50 0 DDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000261740124 539275283 /nfs/dbraw/zinc/27/52/83/539275283.db2.gz IHJOOEXOXJTQPO-UHFFFAOYSA-N -1 0 315.244 1.550 50 0 DDAARM O=C([O-])CC1CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 ZINC000262470850 539275732 /nfs/dbraw/zinc/27/57/32/539275732.db2.gz SDVJLRPNTHIIJX-UHFFFAOYSA-N -1 0 316.357 1.356 50 0 DDAARM CCn1ccnc1[C@H](C)NC(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000263345780 539276072 /nfs/dbraw/zinc/27/60/72/539276072.db2.gz OOMICLCUXISSBS-SRVKXCTJSA-N -1 0 308.382 1.716 50 0 DDAARM COc1cccc(NC2CCN(Cc3n[nH]c(=O)[n-]3)CC2)c1 ZINC000092618949 185329737 /nfs/dbraw/zinc/32/97/37/185329737.db2.gz NQXAYRSWDZWYHI-UHFFFAOYSA-N -1 0 303.366 1.183 50 0 DDAARM COCCOCC(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000095393695 185352197 /nfs/dbraw/zinc/35/21/97/185352197.db2.gz YBYGGJGLAZTPBC-LBPRGKRZSA-N -1 0 315.753 1.635 50 0 DDAARM COc1ccc(Br)cc1CCC(=O)NCC(=O)[O-] ZINC000095424164 185361398 /nfs/dbraw/zinc/36/13/98/185361398.db2.gz VXZNVAWIBOWEPT-UHFFFAOYSA-N -1 0 316.151 1.591 50 0 DDAARM O=C(CCn1ccc2cc(Cl)ccc21)NCc1n[nH]c(=O)[n-]1 ZINC000095443155 185367017 /nfs/dbraw/zinc/36/70/17/185367017.db2.gz WSWNBHXWXSSNNB-UHFFFAOYSA-N -1 0 319.752 1.413 50 0 DDAARM Cc1[nH]nc([N-]S(=O)(=O)c2cc(C)ccc2C)c1C(N)=O ZINC000095468037 185371958 /nfs/dbraw/zinc/37/19/58/185371958.db2.gz LGRGUZGDHZIEML-UHFFFAOYSA-N -1 0 308.363 1.235 50 0 DDAARM C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-] ZINC000095471355 185372705 /nfs/dbraw/zinc/37/27/05/185372705.db2.gz WPEAKTAHSBZMQO-NXEZZACHSA-N -1 0 300.355 1.223 50 0 DDAARM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(C(F)(F)F)cc1 ZINC000069705116 190806269 /nfs/dbraw/zinc/80/62/69/190806269.db2.gz ARVHNWXIGIZEFI-ZCFIWIBFSA-N -1 0 300.240 1.608 50 0 DDAARM CCC(C)(C)CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940714 539564945 /nfs/dbraw/zinc/56/49/45/539564945.db2.gz RSCFHFNJRBVULI-UTUOFQBUSA-N -1 0 308.382 1.625 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 ZINC000263560853 295795261 /nfs/dbraw/zinc/79/52/61/295795261.db2.gz RJZROFUVGROTDC-VXGBXAGGSA-N -1 0 308.353 1.752 50 0 DDAARM COc1ccccc1CCC(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000072147851 191053851 /nfs/dbraw/zinc/05/38/51/191053851.db2.gz OASCEQWMYMWOQT-CYBMUJFWSA-N -1 0 307.346 1.330 50 0 DDAARM CNC(=O)c1cccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000072239181 191082585 /nfs/dbraw/zinc/08/25/85/191082585.db2.gz ONWZXVNYOYDWQK-UHFFFAOYSA-N -1 0 322.390 1.624 50 0 DDAARM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccc2cc[nH]c2c1 ZINC000194302053 186279269 /nfs/dbraw/zinc/27/92/69/186279269.db2.gz MYYXRUJIOASULM-UHFFFAOYSA-N -1 0 320.312 1.689 50 0 DDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)CCc2nccs2)cn1 ZINC000262858609 186314759 /nfs/dbraw/zinc/31/47/59/186314759.db2.gz YQMXHPKIJLVROD-UHFFFAOYSA-N -1 0 308.363 1.731 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000072401512 191151096 /nfs/dbraw/zinc/15/10/96/191151096.db2.gz KCTMLHKLEZHQRA-QWRGUYRKSA-N -1 0 316.317 1.105 50 0 DDAARM O=C([O-])c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 ZINC000035360235 352293218 /nfs/dbraw/zinc/29/32/18/352293218.db2.gz TXFFOBNCBSJCGE-YHALQVAKSA-N -1 0 301.298 1.521 50 0 DDAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2cccnc2)cc1 ZINC000000377269 180771016 /nfs/dbraw/zinc/77/10/16/180771016.db2.gz JJGCVMSIBAQARG-UHFFFAOYSA-N -1 0 301.327 1.907 50 0 DDAARM CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000118079632 353997378 /nfs/dbraw/zinc/99/73/78/353997378.db2.gz IAWZWGVCHHRKOT-ZDUSSCGKSA-N -1 0 322.361 1.672 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 ZINC000004995852 181187561 /nfs/dbraw/zinc/18/75/61/181187561.db2.gz FYMDPHPYLXMCGD-RTWAVKEYSA-N -1 0 305.717 1.711 50 0 DDAARM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000005681671 181271649 /nfs/dbraw/zinc/27/16/49/181271649.db2.gz ZFMYDRCYKULGLO-UHFFFAOYSA-N -1 0 318.358 1.404 50 0 DDAARM CC[C@H](C)[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)[O-] ZINC000236926777 202075651 /nfs/dbraw/zinc/07/56/51/202075651.db2.gz RTEQCVVUISZIAD-SMDDNHRTSA-N -1 0 320.393 1.309 50 0 DDAARM CC[C@@H](NC(=O)c1cc(C)ccc1N1CCCC1=O)C(=O)[O-] ZINC000236959067 202093445 /nfs/dbraw/zinc/09/34/45/202093445.db2.gz FYHDSJDGCMDZEP-GFCCVEGCSA-N -1 0 304.346 1.715 50 0 DDAARM Cc1cscc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000237017086 202123552 /nfs/dbraw/zinc/12/35/52/202123552.db2.gz HVTHFBQTWWBKFJ-LLVKDONJSA-N -1 0 324.402 1.452 50 0 DDAARM CCc1ccc(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000237163916 202172056 /nfs/dbraw/zinc/17/20/56/202172056.db2.gz YHMJMDSTKZUJLP-HNNXBMFYSA-N -1 0 305.374 1.884 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2SCCc3ccccc32)CCO1 ZINC000299751774 304084142 /nfs/dbraw/zinc/08/41/42/304084142.db2.gz RRBVANZKWJLELL-SWLSCSKDSA-N -1 0 321.398 1.719 50 0 DDAARM C[C@H](CN(C(=O)[C@H]1Cc2cccc(F)c2O1)C1CC1)C(=O)[O-] ZINC000237617740 202305428 /nfs/dbraw/zinc/30/54/28/202305428.db2.gz ATPBXINVJBJCEZ-NOZJJQNGSA-N -1 0 307.321 1.841 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000237644286 202316211 /nfs/dbraw/zinc/31/62/11/202316211.db2.gz ZGCHUKVXKOBWNW-OAHLLOKOSA-N -1 0 319.317 1.585 50 0 DDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1Cc1ccccc1 ZINC000237762933 202349565 /nfs/dbraw/zinc/34/95/65/202349565.db2.gz OTTQUTWDCNUVGX-CQSZACIVSA-N -1 0 313.357 1.787 50 0 DDAARM Cn1cc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000237752286 202345334 /nfs/dbraw/zinc/34/53/34/202345334.db2.gz PIZILNLLKXQQSP-LQYUOIDQSA-N -1 0 314.341 1.504 50 0 DDAARM Cc1cccc2c(CC(=O)N3CCO[C@@H](C(=O)[O-])C3)c[nH]c21 ZINC000237757051 202347899 /nfs/dbraw/zinc/34/78/99/202347899.db2.gz WFGSNGPTZHEMAI-CYBMUJFWSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)NCCCC(=O)[O-])C2=O)cc1 ZINC000237783732 202354481 /nfs/dbraw/zinc/35/44/81/202354481.db2.gz ZZGGUNVVNDNREW-ZDUSSCGKSA-N -1 0 304.346 1.329 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(N3CCCC3=O)cc2)CCC1 ZINC000237974056 202409808 /nfs/dbraw/zinc/40/98/08/202409808.db2.gz RJSPIQAWZKWZHS-UHFFFAOYSA-N -1 0 302.330 1.551 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000261598826 304104417 /nfs/dbraw/zinc/10/44/17/304104417.db2.gz AYJLMDZZYZPFRR-NSHDSACASA-N -1 0 304.302 1.097 50 0 DDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCC[C@H]1CCO ZINC000194552398 201250195 /nfs/dbraw/zinc/25/01/95/201250195.db2.gz RXXSKPCMRYAPHN-DCAQKATOSA-N -1 0 324.343 1.357 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1nc(-c2ccccn2)no1 ZINC000238064500 304111717 /nfs/dbraw/zinc/11/17/17/304111717.db2.gz QCSRQFDELMMMQP-NSHDSACASA-N -1 0 316.317 1.140 50 0 DDAARM CCOc1ccc(S(=O)(=O)N(CC)CC(=O)[O-])cc1C ZINC000006701468 181373859 /nfs/dbraw/zinc/37/38/59/181373859.db2.gz GLJGXQBHLKWMOC-UHFFFAOYSA-N -1 0 301.364 1.489 50 0 DDAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2nccn2)C1 ZINC000091526783 193069920 /nfs/dbraw/zinc/06/99/20/193069920.db2.gz ZYCADTDYNIMORN-OAHLLOKOSA-N -1 0 306.366 1.328 50 0 DDAARM Cc1cc(N2CCS(=O)(=O)CC2)nc(-c2ccccc2[O-])n1 ZINC000091934729 193129378 /nfs/dbraw/zinc/12/93/78/193129378.db2.gz JPZRBOITBSSZDF-UHFFFAOYSA-N -1 0 319.386 1.392 50 0 DDAARM Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@H](CC(=O)[O-])C(C)C ZINC000222724457 201621852 /nfs/dbraw/zinc/62/18/52/201621852.db2.gz VEPYLVRGGWYNRS-GFCCVEGCSA-N -1 0 309.366 1.347 50 0 DDAARM CCOc1ccc(OCC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000095349604 193425456 /nfs/dbraw/zinc/42/54/56/193425456.db2.gz ZPEKXBIWBQUYTG-UHFFFAOYSA-N -1 0 307.346 1.978 50 0 DDAARM COC(=O)c1ccc(NC(=O)C2CCN(C(=O)[O-])CC2)cc1 ZINC000008327645 181548672 /nfs/dbraw/zinc/54/86/72/181548672.db2.gz SZZDBEQCVGOJMM-UHFFFAOYSA-N -1 0 306.318 1.802 50 0 DDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nccc(C)n2)c1 ZINC000017031934 182069703 /nfs/dbraw/zinc/06/97/03/182069703.db2.gz ZUBCWRABMJDGDE-UHFFFAOYSA-N -1 0 309.347 1.603 50 0 DDAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)N1CCCCC1 ZINC000021506288 182275737 /nfs/dbraw/zinc/27/57/37/182275737.db2.gz RBGMHLFAWJASMJ-UHFFFAOYSA-N -1 0 302.327 1.667 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000033451374 182712126 /nfs/dbraw/zinc/71/21/26/182712126.db2.gz JKYGMDUKSQHRGS-STMXVASLSA-N -1 0 305.330 1.793 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000088375626 304200296 /nfs/dbraw/zinc/20/02/96/304200296.db2.gz GHKJJWWXVWHBDQ-MRVPVSSYSA-N -1 0 304.224 1.026 50 0 DDAARM Cc1cccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1C ZINC000041670342 183214274 /nfs/dbraw/zinc/21/42/74/183214274.db2.gz YMKVQEGAGRFFQR-UHFFFAOYSA-N -1 0 300.314 1.802 50 0 DDAARM C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043701425 183381756 /nfs/dbraw/zinc/38/17/56/183381756.db2.gz RUDBRVUIELGVMU-CABZTGNLSA-N -1 0 313.737 1.419 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000269178743 207299064 /nfs/dbraw/zinc/29/90/64/207299064.db2.gz KMHJFEWSKFHENS-GFCCVEGCSA-N -1 0 302.330 1.360 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269209499 207327048 /nfs/dbraw/zinc/32/70/48/207327048.db2.gz VEWNOODWDBTAOX-DGCLKSJQSA-N -1 0 307.346 1.533 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000261608911 304235668 /nfs/dbraw/zinc/23/56/68/304235668.db2.gz DLWUDWASBKYAGD-GFCCVEGCSA-N -1 0 303.236 1.524 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000328429536 257241950 /nfs/dbraw/zinc/24/19/50/257241950.db2.gz KVSXIOJSMVJZBC-QWHCGFSZSA-N -1 0 322.430 1.893 50 0 DDAARM COc1ccccc1[C@H](C)CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268977149 257256586 /nfs/dbraw/zinc/25/65/86/257256586.db2.gz KOZXJSOCTXSKDB-YPMHNXCESA-N -1 0 307.346 1.501 50 0 DDAARM COc1cccc(OCC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299748994 533634867 /nfs/dbraw/zinc/63/48/67/533634867.db2.gz IUTYAQAVLZLVOQ-UHFFFAOYSA-N -1 0 323.345 1.166 50 0 DDAARM CCO[C@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000236985126 286535535 /nfs/dbraw/zinc/53/55/35/286535535.db2.gz GBXMMAXSMCCOGQ-STQMWFEESA-N -1 0 304.346 1.857 50 0 DDAARM CN(C)c1cccc2c1cccc2S(=O)(=O)NCC(=O)[O-] ZINC000000057279 406618866 /nfs/dbraw/zinc/61/88/66/406618866.db2.gz QHFXORCWAQTTGH-UHFFFAOYSA-N -1 0 308.359 1.269 50 0 DDAARM Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC000000457655 406651494 /nfs/dbraw/zinc/65/14/94/406651494.db2.gz GDWNABALOUJYPI-SNAWJCMRSA-N -1 0 311.359 1.114 50 0 DDAARM CCCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000001902846 406680557 /nfs/dbraw/zinc/68/05/57/406680557.db2.gz UWWDQNXVCUNXSL-GFCCVEGCSA-N -1 0 301.364 1.617 50 0 DDAARM CS(=O)(=O)c1nc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)n[n-]1 ZINC000069527951 406729072 /nfs/dbraw/zinc/72/90/72/406729072.db2.gz MVNPDDAFJCYYOM-UWVGGRQHSA-N -1 0 324.337 1.090 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2ccccc2)no1 ZINC000071283549 406836268 /nfs/dbraw/zinc/83/62/68/406836268.db2.gz VIHIPJVDHQSAHX-VXGBXAGGSA-N -1 0 315.329 1.710 50 0 DDAARM COc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000013260710 406861190 /nfs/dbraw/zinc/86/11/90/406861190.db2.gz JCSIVWLZTSYGGR-JTQLQIEISA-N -1 0 321.329 1.403 50 0 DDAARM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[NH+]1CCN(C=O)CC1 ZINC000020734563 406887716 /nfs/dbraw/zinc/88/77/16/406887716.db2.gz KGQYWPAOLKXSDW-HNNXBMFYSA-N -1 0 301.346 1.376 50 0 DDAARM COc1ccc(OC)c([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000012389697 406844443 /nfs/dbraw/zinc/84/44/43/406844443.db2.gz KMEGANCNTUDJBM-NSHDSACASA-N -1 0 302.290 1.279 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000036293856 406978358 /nfs/dbraw/zinc/97/83/58/406978358.db2.gz JSCJJJQGBXDCBO-SNVBAGLBSA-N -1 0 307.368 1.310 50 0 DDAARM O=C([O-])c1nnsc1NC(=O)NCc1cc(F)ccc1F ZINC000033436185 406962247 /nfs/dbraw/zinc/96/22/47/406962247.db2.gz FRXSAUJVOVORSA-UHFFFAOYSA-N -1 0 314.273 1.836 50 0 DDAARM O=C([N-]S(=O)(=O)Cc1ccccc1Cl)c1cccnc1 ZINC000089814024 407151420 /nfs/dbraw/zinc/15/14/20/407151420.db2.gz DPSSKBMMXSJQDF-UHFFFAOYSA-N -1 0 310.762 1.995 50 0 DDAARM CC[C@](C)(NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(=O)[O-] ZINC000089941976 407161201 /nfs/dbraw/zinc/16/12/01/407161201.db2.gz VIOLRPDNILRAAB-CJNGLKHVSA-N -1 0 306.362 1.623 50 0 DDAARM CC(C)[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102337300 407321936 /nfs/dbraw/zinc/32/19/36/407321936.db2.gz TWGMMOFPMCCJHR-VIFPVBQESA-N -1 0 305.403 1.997 50 0 DDAARM CC(C)NC(=O)C[C@H](C)NC(=O)c1c([O-])cc(F)cc1F ZINC000096440998 407266558 /nfs/dbraw/zinc/26/65/58/407266558.db2.gz DYEPJWPVHYYNCO-QMMMGPOBSA-N -1 0 300.305 1.703 50 0 DDAARM O=C([O-])c1ccc(-c2noc(CNC[C@H]3CCCO3)n2)cc1 ZINC000067946159 407291255 /nfs/dbraw/zinc/29/12/55/407291255.db2.gz PUWAFFKSHZFYKT-GFCCVEGCSA-N -1 0 303.318 1.703 50 0 DDAARM CCOc1ccc(CN2CCOC[C@H]2CC(=O)[O-])cc1CO ZINC000097823303 407302996 /nfs/dbraw/zinc/30/29/96/407302996.db2.gz GGFPEHLXECWXGQ-CQSZACIVSA-N -1 0 309.362 1.253 50 0 DDAARM Cn1c2ccccc2c([O-])c(C(=O)NCc2ccncc2)c1=O ZINC000100674205 407308203 /nfs/dbraw/zinc/30/82/03/407308203.db2.gz MGAXVOLBJSLGFU-UHFFFAOYSA-N -1 0 309.325 1.569 50 0 DDAARM COc1ccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000101449766 407309434 /nfs/dbraw/zinc/30/94/34/407309434.db2.gz VJPNCPILLCPLGB-LLVKDONJSA-N -1 0 308.359 1.624 50 0 DDAARM Cc1nnc2sc(C(=O)c3ccc(F)cc3)c([O-])n2c1=O ZINC000225331547 407580156 /nfs/dbraw/zinc/58/01/56/407580156.db2.gz ICMMAWUWEORYPK-UHFFFAOYSA-N -1 0 305.290 1.535 50 0 DDAARM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)c1cccnc1 ZINC000225725876 407603532 /nfs/dbraw/zinc/60/35/32/407603532.db2.gz IYYSVBXGELWMRI-UHFFFAOYSA-N -1 0 320.370 1.826 50 0 DDAARM CNC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000237156514 407800738 /nfs/dbraw/zinc/80/07/38/407800738.db2.gz MALXMPWCRLBPKH-MRZGDXHCSA-N -1 0 316.357 1.383 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000262348757 407806773 /nfs/dbraw/zinc/80/67/73/407806773.db2.gz VBXJUXPRQVJLQI-ZDUSSCGKSA-N -1 0 309.410 1.833 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCn1cncn1 ZINC000237967154 407857570 /nfs/dbraw/zinc/85/75/70/407857570.db2.gz CPKCOJPVEIBUHQ-AVGNSLFASA-N -1 0 306.366 1.303 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)CCO1 ZINC000238193168 407896816 /nfs/dbraw/zinc/89/68/16/407896816.db2.gz VFSOEGPXRVYIOC-VSZDKKFSSA-N -1 0 307.321 1.931 50 0 DDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cc(C(C)C)nn2C)C1 ZINC000263189468 408051690 /nfs/dbraw/zinc/05/16/90/408051690.db2.gz XQSGPBGICCXEIJ-GHMZBOCLSA-N -1 0 309.366 1.248 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1CCO[C@H](C)C1 ZINC000263300423 408096773 /nfs/dbraw/zinc/09/67/73/408096773.db2.gz DDPCKEGKHNUJHP-DGCLKSJQSA-N -1 0 321.373 1.867 50 0 DDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000268937158 408220080 /nfs/dbraw/zinc/22/00/80/408220080.db2.gz HBJIGJMPFATWHB-JXJLXUTGSA-N -1 0 307.321 1.835 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccnc2N2CCCCC2)C1 ZINC000178260864 408794687 /nfs/dbraw/zinc/79/46/87/408794687.db2.gz VDNSXPPTPNAYDD-GFCCVEGCSA-N -1 0 303.362 1.619 50 0 DDAARM Cc1nc(-c2ccco2)ccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000178279807 408799474 /nfs/dbraw/zinc/79/94/74/408799474.db2.gz RRKZRNQNTZFDEJ-CQSZACIVSA-N -1 0 316.313 1.576 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3ccc(Cl)cc3n2)CCO1 ZINC000178280853 408799478 /nfs/dbraw/zinc/79/94/78/408799478.db2.gz YDSKGDHBPQMQQM-CYBMUJFWSA-N -1 0 320.732 1.814 50 0 DDAARM CCC[C@@H](NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)c1nnn[n-]1 ZINC000170025327 408820117 /nfs/dbraw/zinc/82/01/17/408820117.db2.gz WKVFUNKVVMHCHQ-OCCSQVGLSA-N -1 0 315.377 1.778 50 0 DDAARM CCn1cc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)cn1 ZINC000282248611 409019544 /nfs/dbraw/zinc/01/95/44/409019544.db2.gz RAVXNROOSHIIBA-UHFFFAOYSA-N -1 0 321.358 1.353 50 0 DDAARM O=C(c1ccc(F)cc1[O-])N1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293888767 409200880 /nfs/dbraw/zinc/20/08/80/409200880.db2.gz GHFGYHBSLFLXAM-LBPRGKRZSA-N -1 0 320.324 1.092 50 0 DDAARM CCN(CC(=O)[O-])C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000299751535 410605800 /nfs/dbraw/zinc/60/58/00/410605800.db2.gz QWSZJXSHAMRYST-UHFFFAOYSA-N -1 0 307.346 1.714 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSc3ccccc3O2)C1 ZINC000299744793 410604854 /nfs/dbraw/zinc/60/48/54/410604854.db2.gz PYADUHFDDOSXAZ-XHDPSFHLSA-N -1 0 307.371 1.863 50 0 DDAARM COc1cccc(CCNC(=O)CCc2cc(=O)[n-]o2)c1OC ZINC000299765619 410610838 /nfs/dbraw/zinc/61/08/38/410610838.db2.gz AYKBVIXIFHXVRR-UHFFFAOYSA-N -1 0 320.345 1.689 50 0 DDAARM O=C([O-])C[C@H]1CCCCN1C(=O)CN1Cc2ccccc2C1 ZINC000299793837 410635653 /nfs/dbraw/zinc/63/56/53/410635653.db2.gz ILOVZSARJIGWRT-OAHLLOKOSA-N -1 0 302.374 1.858 50 0 DDAARM CCc1ccc(OCCS(=O)(=O)[N-]c2nccs2)cc1 ZINC000070637849 418488275 /nfs/dbraw/zinc/48/82/75/418488275.db2.gz GHKMBSNRAQDMQL-UHFFFAOYSA-N -1 0 312.416 2.526 50 0 DDAARM O=C(Cc1cccs1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990462 418495472 /nfs/dbraw/zinc/49/54/72/418495472.db2.gz QHAYKFOTUGLYRT-UHFFFAOYSA-N -1 0 314.370 1.212 50 0 DDAARM NC(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000262023707 222270453 /nfs/dbraw/zinc/27/04/53/222270453.db2.gz YBQPKXPCXBHBGT-CYBMUJFWSA-N -1 0 304.346 1.645 50 0 DDAARM C[C@H]1CCC[C@@H](OCC(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000299747737 229391963 /nfs/dbraw/zinc/39/19/63/229391963.db2.gz DXCPOIZBBKBHPD-GXTWGEPZSA-N -1 0 313.394 1.674 50 0 DDAARM COc1cccc(C[C@H](NC(=O)[C@@H]2C[C@H](C)O[C@@H]2C)C(=O)[O-])c1 ZINC000630243257 421985198 /nfs/dbraw/zinc/98/51/98/421985198.db2.gz IKXIRNOCNRYQLC-DRABBMOASA-N -1 0 321.373 1.621 50 0 DDAARM Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000649462516 423929725 /nfs/dbraw/zinc/92/97/25/423929725.db2.gz CHKQOVSAISJAIK-GHMZBOCLSA-N -1 0 316.317 1.575 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)NC3(C(=O)[O-])CCC3)ccc21 ZINC000236590880 278058535 /nfs/dbraw/zinc/05/85/35/278058535.db2.gz RNXZGCXXNCSANS-UHFFFAOYSA-N -1 0 302.330 1.333 50 0 DDAARM CO[C@@]1(C)C[C@@H](O)C12CCN(c1cccc(C(=O)[O-])n1)CC2 ZINC000091594895 294154232 /nfs/dbraw/zinc/15/42/32/294154232.db2.gz VYRMNQDVKVGQHT-DOMZBBRYSA-N -1 0 306.362 1.536 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)N3CCCCC3)cc2[n-]c1=S ZINC000017320470 294169907 /nfs/dbraw/zinc/16/99/07/294169907.db2.gz VPAXZUTWCMWJEQ-UHFFFAOYSA-N -1 0 303.387 1.848 50 0 DDAARM Cc1c(O)ccc2c(CC(=O)NCCCC(=O)[O-])cc(=O)oc12 ZINC000002103191 300982671 /nfs/dbraw/zinc/98/26/71/300982671.db2.gz MALHCOJCXXDRNB-UHFFFAOYSA-N -1 0 319.313 1.331 50 0 biogenic DDAARM Cc1cnn(-c2ccc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2)c1 ZINC000299749807 302388502 /nfs/dbraw/zinc/38/85/02/302388502.db2.gz LPOSMBKKDJGGAV-AWEZNQCLSA-N -1 0 315.329 1.106 50 0 DDAARM COc1ccc2cc(CN3CCO[C@H](C(=O)[O-])C3)c(=O)[nH]c2c1 ZINC000534632979 334308057 /nfs/dbraw/zinc/30/80/57/334308057.db2.gz PHOZBLNVVBZJQI-AWEZNQCLSA-N -1 0 318.329 1.234 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccc2c(c1)CCO2 ZINC000169974522 484093989 /nfs/dbraw/zinc/09/39/89/484093989.db2.gz HTUAKNGQAZMBHV-KBPBESRZSA-N -1 0 301.342 1.905 50 0 DDAARM CCc1cc2c(ncnc2N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)s1 ZINC000662895835 484527401 /nfs/dbraw/zinc/52/74/01/484527401.db2.gz HNLRRBMRKSTVJN-AVPPRXQKSA-N -1 0 307.375 1.890 50 0 DDAARM Cc1csc2nc(C)nc(N[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]3O)c12 ZINC000662898588 484529001 /nfs/dbraw/zinc/52/90/01/484529001.db2.gz UZULAPLXXZYWNL-BBBLOLIVSA-N -1 0 307.375 1.944 50 0 DDAARM O=c1ccc(=O)n(CC[C@H]2NN=C(c3ccccc3)S2)[n-]1 ZINC000670431810 484826552 /nfs/dbraw/zinc/82/65/52/484826552.db2.gz LGHITTVMPKDKSA-LBPRGKRZSA-N -1 0 302.359 1.363 50 0 DDAARM Cc1ccc(C(F)(F)F)cc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000670440030 484830556 /nfs/dbraw/zinc/83/05/56/484830556.db2.gz YNKYPYACNDTMKT-UHFFFAOYSA-N -1 0 300.240 1.768 50 0 DDAARM O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)CCCF ZINC000170014624 490680205 /nfs/dbraw/zinc/68/02/05/490680205.db2.gz KZOLIXSSWIZGQO-ZDUSSCGKSA-N -1 0 315.366 1.496 50 0 DDAARM Cc1oc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1C(=O)[O-] ZINC000299743652 534545145 /nfs/dbraw/zinc/54/51/45/534545145.db2.gz OIDUJYXFFJISMJ-AWEZNQCLSA-N -1 0 301.298 1.906 50 0 DDAARM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299750878 528885613 /nfs/dbraw/zinc/88/56/13/528885613.db2.gz OOPCIZIMFAFIFR-MNOVXSKESA-N -1 0 315.329 1.405 50 0 DDAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004976625 696011861 /nfs/dbraw/zinc/01/18/61/696011861.db2.gz CYZKEQKTXMICME-XXYUJHKVSA-N -1 0 320.320 1.378 50 0 DDAARM Cc1cc(C)n(CC(=O)NN=Cc2ccc(C(=O)[O-])cc2)n1 ZINC000254482416 698407605 /nfs/dbraw/zinc/40/76/05/698407605.db2.gz NIKYCIIIVWVPEM-UHFFFAOYSA-N -1 0 300.318 1.348 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C=N[C@H]3C=CC=C[C@H]32)cc1 ZINC000951726574 721155508 /nfs/dbraw/zinc/15/55/08/721155508.db2.gz CJQGZOFCJDPNBS-UONOGXRCSA-N -1 0 317.370 1.600 50 0 DDAARM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000585129118 771959113 /nfs/dbraw/zinc/95/91/13/771959113.db2.gz YIHBVUCPRMJVHU-UHFFFAOYSA-N -1 0 320.378 1.616 50 0 DDAARM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(Nc2cnn(C)c2)c1 ZINC000952853107 775579509 /nfs/dbraw/zinc/57/95/09/775579509.db2.gz IPNVLZAMLMRJTF-OAHLLOKOSA-N -1 0 318.333 1.592 50 0 DDAARM Cc1c2ccc(C)cc2oc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])N(C)C1 ZINC000095519350 185377010 /nfs/dbraw/zinc/37/70/10/185377010.db2.gz TVHCXLQCKDIDTK-AAEUAGOBSA-N -1 0 316.357 1.937 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)N[C@H]2CCc3ccccc32)c1 ZINC000095470255 185372574 /nfs/dbraw/zinc/37/25/74/185372574.db2.gz RZVOGXXHLHTGIK-AWEZNQCLSA-N -1 0 312.325 1.350 50 0 DDAARM CSc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000226088013 201766374 /nfs/dbraw/zinc/76/63/74/201766374.db2.gz ZFQGDJJVBLSYSG-UHFFFAOYSA-N -1 0 315.416 1.894 50 0 DDAARM O=C(Nc1ncccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001244662 304017674 /nfs/dbraw/zinc/01/76/74/304017674.db2.gz YUBHNHCDJADMDI-UHFFFAOYSA-N -1 0 308.297 1.306 50 0 DDAARM O=C([O-])C1(Oc2ccccc2)CCN(Cc2c[nH]cn2)CC1 ZINC000072409546 191153788 /nfs/dbraw/zinc/15/37/88/191153788.db2.gz MCTGNGGVCLFJLB-UHFFFAOYSA-N -1 0 301.346 1.908 50 0 DDAARM COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000000086665 180688071 /nfs/dbraw/zinc/68/80/71/180688071.db2.gz ASZCSLUPXWBNGZ-GFCCVEGCSA-N -1 0 304.302 1.528 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2=Cc3ccccc3OC=C2)CCO1 ZINC000072433417 191164399 /nfs/dbraw/zinc/16/43/99/191164399.db2.gz ZTCPTABJCWBLOO-AWEZNQCLSA-N -1 0 301.298 1.288 50 0 DDAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)c2ccc[nH]2)CC1 ZINC000072435921 191165375 /nfs/dbraw/zinc/16/53/75/191165375.db2.gz GLZWDKJZADIFEE-UHFFFAOYSA-N -1 0 302.334 1.236 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000003355934 181011192 /nfs/dbraw/zinc/01/11/92/181011192.db2.gz YMQWMSXAECMZQU-UHFFFAOYSA-N -1 0 311.359 1.375 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000158497786 354230382 /nfs/dbraw/zinc/23/03/82/354230382.db2.gz YPERUAKYDVUJGN-KBPBESRZSA-N -1 0 320.320 1.784 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 ZINC000585122779 354810465 /nfs/dbraw/zinc/81/04/65/354810465.db2.gz FYONUBHMNXWMLH-SNVBAGLBSA-N -1 0 303.343 1.566 50 0 DDAARM COCCC(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)[O-] ZINC000585134042 354811291 /nfs/dbraw/zinc/81/12/91/354811291.db2.gz BFEUBGJKBVMYBC-HNNXBMFYSA-N -1 0 301.342 1.988 50 0 DDAARM COC(=O)c1c(NC(=O)/C=C(\C)C(=O)[O-])sc2c1CCC2 ZINC000005516735 181252571 /nfs/dbraw/zinc/25/25/71/181252571.db2.gz NJANPSQJERIISL-VOTSOKGWSA-N -1 0 309.343 1.993 50 0 DDAARM CC(C)N1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2cccs2)CC1=O ZINC000236834780 202031072 /nfs/dbraw/zinc/03/10/72/202031072.db2.gz AKVLIWHYEHAHMM-QWRGUYRKSA-N -1 0 324.402 1.637 50 0 DDAARM CCCc1noc(CCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000236947195 202085803 /nfs/dbraw/zinc/08/58/03/202085803.db2.gz VMLQTAMTBUXSCI-OAHLLOKOSA-N -1 0 309.366 1.668 50 0 DDAARM CCO[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000236972872 202102362 /nfs/dbraw/zinc/10/23/62/202102362.db2.gz GBXMMAXSMCCOGQ-OLZOCXBDSA-N -1 0 304.346 1.857 50 0 DDAARM CCc1ccccc1N1C[C@H](C(=O)NC2(C(=O)[O-])CC2)CC1=O ZINC000237017501 202124015 /nfs/dbraw/zinc/12/40/15/202124015.db2.gz RFZBWOPKCFGMIS-GFCCVEGCSA-N -1 0 316.357 1.335 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000178259095 198839057 /nfs/dbraw/zinc/83/90/57/198839057.db2.gz IYDRKXPCTPGZES-NSHDSACASA-N -1 0 317.345 1.112 50 0 DDAARM O=C([O-])C[C@H](NC(=O)CN1CCCCCC1=O)c1ccccc1 ZINC000072277359 304081826 /nfs/dbraw/zinc/08/18/26/304081826.db2.gz KJKPORNFIPXZBL-AWEZNQCLSA-N -1 0 318.373 1.721 50 0 DDAARM CCc1ncc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cn1 ZINC000240668573 202459277 /nfs/dbraw/zinc/45/92/77/202459277.db2.gz HNNAWDDZGRNONM-UHFFFAOYSA-N -1 0 311.338 1.988 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCSc2ccccc21 ZINC000035302862 304114231 /nfs/dbraw/zinc/11/42/31/304114231.db2.gz MMLOHUIXTPXXQQ-LBPRGKRZSA-N -1 0 306.387 1.674 50 0 DDAARM CCc1cc(C(=O)N2CCC[C@](CCOC)(C(=O)[O-])C2)n(C)n1 ZINC000091745780 193100357 /nfs/dbraw/zinc/10/03/57/193100357.db2.gz MWQDASZWCUERHK-MRXNPFEDSA-N -1 0 323.393 1.326 50 0 DDAARM Cc1nc(=O)[nH]c(C)c1CCC(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000222724400 201621557 /nfs/dbraw/zinc/62/15/57/201621557.db2.gz VEPYLVRGGWYNRS-LBPRGKRZSA-N -1 0 309.366 1.347 50 0 DDAARM CCc1nnsc1C(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000262227512 203233834 /nfs/dbraw/zinc/23/38/34/203233834.db2.gz UUTDEXSGTHLZKR-LLVKDONJSA-N -1 0 321.358 1.665 50 0 DDAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)C3(CO)CC3)C2)cc1 ZINC000095353916 193427146 /nfs/dbraw/zinc/42/71/46/193427146.db2.gz SAJDIZQONYEFFJ-AWEZNQCLSA-N -1 0 303.358 1.863 50 0 DDAARM CC[C@@H](C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000016033153 182030156 /nfs/dbraw/zinc/03/01/56/182030156.db2.gz NNAVQIWUUVVGGV-NOZJJQNGSA-N -1 0 305.334 1.654 50 0 DDAARM COc1ccc(-c2noc3ncnc(N(C)CC(=O)[O-])c32)cc1 ZINC000021779079 182288586 /nfs/dbraw/zinc/28/85/86/182288586.db2.gz BLPFHGRZYDYBRR-UHFFFAOYSA-N -1 0 314.301 1.814 50 0 DDAARM Cc1ccc(S(=O)(=O)c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000101435046 193813400 /nfs/dbraw/zinc/81/34/00/193813400.db2.gz UGCZVFSHQCXGRF-UHFFFAOYSA-N -1 0 303.343 1.472 50 0 DDAARM O=C([O-])C1CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000037433248 182892737 /nfs/dbraw/zinc/89/27/37/182892737.db2.gz HQBNJSSKVHMIDR-ZDUSSCGKSA-N -1 0 309.749 1.967 50 0 DDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCCCn1ccnc1 ZINC000039349684 183017084 /nfs/dbraw/zinc/01/70/84/183017084.db2.gz HNSLYXUHSVULQH-PQAZSJQKSA-N -1 0 305.378 1.526 50 0 DDAARM COc1cccc2c1ccn2CC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000040313251 183054038 /nfs/dbraw/zinc/05/40/38/183054038.db2.gz WJMROJPDRPZYNJ-HNNXBMFYSA-N -1 0 304.346 1.875 50 0 DDAARM CCCOc1c(Cl)cc(C(=O)[N-]S(C)(=O)=O)cc1OC ZINC000040544092 183099353 /nfs/dbraw/zinc/09/93/53/183099353.db2.gz PPRDCHKBRZQNER-UHFFFAOYSA-N -1 0 321.782 1.827 50 0 DDAARM C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043701427 183381844 /nfs/dbraw/zinc/38/18/44/183381844.db2.gz RUDBRVUIELGVMU-SKDRFNHKSA-N -1 0 313.737 1.419 50 0 DDAARM COC[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCO1 ZINC000268928548 207096415 /nfs/dbraw/zinc/09/64/15/207096415.db2.gz XIHOMJQMFNVGPY-GBXSZLQWSA-N -1 0 305.330 1.272 50 0 DDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000268943959 207106923 /nfs/dbraw/zinc/10/69/23/207106923.db2.gz UNFGGKIHZKUGML-SWLSCSKDSA-N -1 0 321.373 1.927 50 0 DDAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)CCCNC(=O)C(C)(C)C ZINC000061216298 184165715 /nfs/dbraw/zinc/16/57/15/184165715.db2.gz GJPPPTFIEYYLSP-LLVKDONJSA-N -1 0 300.399 1.498 50 0 DDAARM CCOc1ccccc1OCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000269053231 207201920 /nfs/dbraw/zinc/20/19/20/207201920.db2.gz WGOCXRGLORLIRO-MRXNPFEDSA-N -1 0 307.346 1.787 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000269205433 207323880 /nfs/dbraw/zinc/32/38/80/207323880.db2.gz SZHANHVMDIYWJA-FVOPLDGLSA-N -1 0 305.330 1.650 50 0 DDAARM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCCC[C@H]2C(=O)[O-])C1 ZINC000158490751 197277352 /nfs/dbraw/zinc/27/73/52/197277352.db2.gz XOTOUKPMXOSWIK-STQMWFEESA-N -1 0 324.421 1.737 50 0 DDAARM Cc1nc(=N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)s[n-]1 ZINC000517344041 257234826 /nfs/dbraw/zinc/23/48/26/257234826.db2.gz WXZPUTUWOIWUOI-OCCSQVGLSA-N -1 0 315.402 1.580 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000328595425 533231384 /nfs/dbraw/zinc/23/13/84/533231384.db2.gz UXLHKQIVQHSLRQ-YVARQFDVSA-N -1 0 321.329 1.029 50 0 DDAARM O=C([O-])C1(NC(=O)CCNC(=O)c2cccs2)CCCCC1 ZINC000071802811 184847079 /nfs/dbraw/zinc/84/70/79/184847079.db2.gz XCCVMKPODFYCJV-UHFFFAOYSA-N -1 0 324.402 1.772 50 0 DDAARM CC(=O)c1cccc(NC(=O)CSc2nc(=O)c(C)n[n-]2)c1 ZINC000000150980 406625930 /nfs/dbraw/zinc/62/59/30/406625930.db2.gz LLBHXARABQXICD-UHFFFAOYSA-N -1 0 318.358 1.407 50 0 DDAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000000147851 406627084 /nfs/dbraw/zinc/62/70/84/406627084.db2.gz DISLTXDZVMIFHG-UHFFFAOYSA-N -1 0 314.363 1.164 50 0 DDAARM O=C([O-])CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000002346412 406687518 /nfs/dbraw/zinc/68/75/18/406687518.db2.gz UCWKNOIKOAVDSR-UHFFFAOYSA-N -1 0 322.180 1.592 50 0 DDAARM CCCCC(=O)NC(=S)N[N-]S(=O)(=O)c1ccccc1 ZINC000002690742 406697266 /nfs/dbraw/zinc/69/72/66/406697266.db2.gz POKLCZSPWCDRPL-UHFFFAOYSA-N -1 0 315.420 1.061 50 0 DDAARM Cc1ccc(CC(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000069658448 406752579 /nfs/dbraw/zinc/75/25/79/406752579.db2.gz NBAONWWZTQVNCS-AWEZNQCLSA-N -1 0 311.403 1.553 50 0 DDAARM CC(C)C(=O)C[C@@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000003106578 406711891 /nfs/dbraw/zinc/71/18/91/406711891.db2.gz UDFFIQZWYPEUFJ-NSHDSACASA-N -1 0 302.330 1.368 50 0 DDAARM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(=O)n(C)n2)cc1 ZINC000009550325 406811017 /nfs/dbraw/zinc/81/10/17/406811017.db2.gz BHPACCDYWHBGHV-ZDUSSCGKSA-N -1 0 315.329 1.035 50 0 DDAARM COc1ccc(C(N)=O)cc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071288044 406836919 /nfs/dbraw/zinc/83/69/19/406836919.db2.gz WYCDMNNQVICBOG-QWRGUYRKSA-N -1 0 306.318 1.089 50 0 DDAARM CCC1C(=O)N=C(SCC(=O)Nc2ccccc2)N=C1[O-] ZINC000012628923 406849082 /nfs/dbraw/zinc/84/90/82/406849082.db2.gz NTOXOVVZQPMEFI-UHFFFAOYSA-N -1 0 305.359 1.769 50 0 DDAARM Cc1ccccc1N1C(=O)C[C@@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000013607222 406864259 /nfs/dbraw/zinc/86/42/59/406864259.db2.gz ZRSKMJSVQAIDBO-CQSZACIVSA-N -1 0 316.357 1.424 50 0 DDAARM C[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCc1ccccc1 ZINC000013771980 406867583 /nfs/dbraw/zinc/86/75/83/406867583.db2.gz VVEPWWGDLOPOGP-MRVPVSSYSA-N -1 0 307.331 1.095 50 0 DDAARM Cc1ccc(NC(=O)c2nnc(COCC(=O)[O-])s2)cc1 ZINC000034927220 406965565 /nfs/dbraw/zinc/96/55/65/406965565.db2.gz BNDOPSISRWKAHQ-UHFFFAOYSA-N -1 0 307.331 1.700 50 0 DDAARM CC[C@H](NC(=O)c1cc2cc(OC)c(OC)cc2[nH]1)C(=O)[O-] ZINC000035686334 406974758 /nfs/dbraw/zinc/97/47/58/406974758.db2.gz QRRQVGAQZNBQJR-VIFPVBQESA-N -1 0 306.318 1.778 50 0 DDAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCCC2)c2ccccc21 ZINC000036358393 406979346 /nfs/dbraw/zinc/97/93/46/406979346.db2.gz BJYFTKWJWBOWIZ-OAHLLOKOSA-N -1 0 302.330 1.947 50 0 DDAARM COc1cc(C(=O)NCCCC(=O)[O-])cc(Cl)c1OC ZINC000037410005 406988693 /nfs/dbraw/zinc/98/86/93/406988693.db2.gz PCFPZOBMPHZOJG-UHFFFAOYSA-N -1 0 301.726 1.952 50 0 DDAARM CCc1ccc(OCC(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000089286351 407129724 /nfs/dbraw/zinc/12/97/24/407129724.db2.gz PDQXFWFKPCZJAO-UHFFFAOYSA-N -1 0 303.318 1.548 50 0 DDAARM CC(C)S[C@@H](C)C(=O)Nc1cccc(C(=O)NCC(=O)[O-])c1 ZINC000089890994 407156188 /nfs/dbraw/zinc/15/61/88/407156188.db2.gz HJJSTKPGZZNPJP-JTQLQIEISA-N -1 0 324.402 1.970 50 0 DDAARM CC(C)NC(=O)Nc1ccc([C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000095381426 407211852 /nfs/dbraw/zinc/21/18/52/407211852.db2.gz SQURLLFZVBWNBJ-AWEZNQCLSA-N -1 0 321.377 1.674 50 0 DDAARM Cc1c(NC(=O)[C@@H](C)S(=O)(=O)C(C)C)cccc1C(=O)[O-] ZINC000095954257 407216686 /nfs/dbraw/zinc/21/66/86/407216686.db2.gz HMEHWEYMZUOYAM-SNVBAGLBSA-N -1 0 313.375 1.843 50 0 DDAARM COc1ccc(OC)c(C(=O)N(CC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000095970201 407218554 /nfs/dbraw/zinc/21/85/54/407218554.db2.gz BAUQOLFTMMROIA-LBPRGKRZSA-N -1 0 323.345 1.410 50 0 DDAARM C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)C[C@@H](C(=O)[O-])O1 ZINC000095991958 407221944 /nfs/dbraw/zinc/22/19/44/407221944.db2.gz QPRVVFPQPKNFQW-MFKMUULPSA-N -1 0 311.765 1.973 50 0 DDAARM CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2nnn[n-]2)cc1 ZINC000063881887 407236480 /nfs/dbraw/zinc/23/64/80/407236480.db2.gz QLCJTNNNLYKXHQ-VIFPVBQESA-N -1 0 303.322 1.049 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2[n-]c1=S ZINC000102777496 407327212 /nfs/dbraw/zinc/32/72/12/407327212.db2.gz JIMRJXBFJSOMCY-SNVBAGLBSA-N -1 0 319.386 1.131 50 0 DDAARM O=C([O-])c1n[nH]cc1[C@H]1CC(=O)Nc2c1cnn2-c1ccccc1 ZINC000067675350 407279607 /nfs/dbraw/zinc/27/96/07/407279607.db2.gz YORNKXNISBJBJU-SNVBAGLBSA-N -1 0 323.312 1.768 50 0 DDAARM O=C([O-])CCn1cc(CN2CCc3[nH]nc(C4CC4)c3C2)cn1 ZINC000097474867 407298404 /nfs/dbraw/zinc/29/84/04/407298404.db2.gz ZOUTXDFJLCSMFA-UHFFFAOYSA-N -1 0 315.377 1.517 50 0 DDAARM CCn1nc(C)cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000195530940 407463636 /nfs/dbraw/zinc/46/36/36/407463636.db2.gz ZWUYCGILKURPRR-ZDUSSCGKSA-N -1 0 301.346 1.637 50 0 DDAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)[nH]n2)o1 ZINC000178666958 407537970 /nfs/dbraw/zinc/53/79/70/407537970.db2.gz UWDXZYPQPLGCQK-SNVBAGLBSA-N -1 0 303.318 1.915 50 0 DDAARM CN(CCC(=O)[O-])C(=O)CN1CCOc2ccc(Cl)cc21 ZINC000237219303 407805668 /nfs/dbraw/zinc/80/56/68/407805668.db2.gz WHKLLYKFQRZDMI-UHFFFAOYSA-N -1 0 312.753 1.472 50 0 DDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)CN1CCCCCCC1=O)CC2 ZINC000262426493 407831004 /nfs/dbraw/zinc/83/10/04/407831004.db2.gz LSYYLVWAOVLLPJ-ZDUSSCGKSA-N -1 0 322.405 1.492 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000237649866 407831739 /nfs/dbraw/zinc/83/17/39/407831739.db2.gz RWDMIJDQNKIPHA-MEDUHNTESA-N -1 0 308.378 1.101 50 0 DDAARM C[C@H]1CCN(C(=O)Cc2cn3ccccc3n2)[C@@H](C(=O)[O-])C1 ZINC000262584564 407874718 /nfs/dbraw/zinc/87/47/18/407874718.db2.gz ZNUJTYWPIILCTF-WCQYABFASA-N -1 0 301.346 1.589 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000238044166 407875598 /nfs/dbraw/zinc/87/55/98/407875598.db2.gz NXRPQOHCVMUENU-CQSZACIVSA-N -1 0 314.345 1.411 50 0 DDAARM O=C([O-])CCN(C(=O)/C=C/c1ccccn1)C1CCOCC1 ZINC000238072440 407883309 /nfs/dbraw/zinc/88/33/09/407883309.db2.gz UGKCXBYBGOXXPW-SNAWJCMRSA-N -1 0 304.346 1.577 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)CCO1 ZINC000238123765 407893835 /nfs/dbraw/zinc/89/38/35/407893835.db2.gz HDXJBNHGYPMDLI-UKRRQHHQSA-N -1 0 303.358 1.809 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCOC1 ZINC000238209979 407898870 /nfs/dbraw/zinc/89/88/70/407898870.db2.gz XBCAVSDVJBYWQV-LKFCYVNXSA-N -1 0 320.320 1.455 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000263180495 408048204 /nfs/dbraw/zinc/04/82/04/408048204.db2.gz VGVPJMVACJFHDV-BEAPCOKYSA-N -1 0 321.348 1.925 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CCO1 ZINC000262999933 407999334 /nfs/dbraw/zinc/99/93/34/407999334.db2.gz PSHUIZXDCGKSIN-ZDUSSCGKSA-N -1 0 319.292 1.141 50 0 DDAARM C[C@@H](C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1)C1CC1 ZINC000263521990 408162434 /nfs/dbraw/zinc/16/24/34/408162434.db2.gz HQIVGVBYOIVMPW-SECBINFHSA-N -1 0 300.318 1.950 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000263553327 408172066 /nfs/dbraw/zinc/17/20/66/408172066.db2.gz MLVNHCKTVRTWFK-DGCLKSJQSA-N -1 0 304.346 1.361 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000269042605 408224968 /nfs/dbraw/zinc/22/49/68/408224968.db2.gz RJNSINGTDXDDQE-OWRWGESLSA-N -1 0 305.330 1.538 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cnn(CC)c2)(C(=O)[O-])C1(C)C ZINC000193036138 408684330 /nfs/dbraw/zinc/68/43/30/408684330.db2.gz QUZRRABKQMEANI-NHYWBVRUSA-N -1 0 309.366 1.291 50 0 DDAARM CCc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000276105745 408821260 /nfs/dbraw/zinc/82/12/60/408821260.db2.gz JQBKIKOCNDEFAE-BXUZGUMPSA-N -1 0 311.403 1.980 50 0 DDAARM Cc1c(CNC(=O)CCc2ccccc2C(=O)[O-])cnn1C ZINC000262755524 163874705 /nfs/dbraw/zinc/87/47/05/163874705.db2.gz KGMYHCIOPNWLKJ-UHFFFAOYSA-N -1 0 301.346 1.676 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cncnc2C)(C(=O)[O-])C1(C)C ZINC000262796971 163879455 /nfs/dbraw/zinc/87/94/55/163879455.db2.gz LWPRGBYAIHBUEA-IAQYHMDHSA-N -1 0 307.350 1.173 50 0 DDAARM O=C([O-])[C@@H](NC(=O)c1cccc2c1CCC2)[C@H]1CCCOC1 ZINC000263252983 163938970 /nfs/dbraw/zinc/93/89/70/163938970.db2.gz HTIIWAUQQPYOMQ-WFASDCNBSA-N -1 0 303.358 1.785 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CSc2ccccc2O1 ZINC000299748718 410603868 /nfs/dbraw/zinc/60/38/68/410603868.db2.gz HYHQTEILDCYKJC-NSHDSACASA-N -1 0 311.359 1.099 50 0 DDAARM COCCN1C(=O)C[C@](CC(=O)[O-])(c2ccccc2C)C1=O ZINC000299772428 410618924 /nfs/dbraw/zinc/61/89/24/410618924.db2.gz XICVABKBUCURJL-INIZCTEOSA-N -1 0 305.330 1.113 50 0 DDAARM O=C(c1cccc(F)c1[O-])N1CC[C@H]2OCc3cnnn3[C@H]2C1 ZINC000299776213 410620084 /nfs/dbraw/zinc/62/00/84/410620084.db2.gz MDRYLBJNXRUFGC-QWHCGFSZSA-N -1 0 318.308 1.109 50 0 DDAARM Cc1cc(OCC(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1Cl ZINC000049864820 418478789 /nfs/dbraw/zinc/47/87/89/418478789.db2.gz MXFPAEBAVWAXDV-LBPRGKRZSA-N -1 0 313.737 1.339 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1cccc2c[nH]nc21 ZINC000102140174 418494739 /nfs/dbraw/zinc/49/47/39/418494739.db2.gz VSDFOSIHUSIMJT-LLVKDONJSA-N -1 0 323.374 1.192 50 0 DDAARM O=C([O-])c1ccc(CCC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000191597065 418522516 /nfs/dbraw/zinc/52/25/16/418522516.db2.gz OUWKVDZNBRFUJB-ZDUSSCGKSA-N -1 0 316.357 1.197 50 0 DDAARM O=C([O-])[C@@H]1CCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000262659761 222288983 /nfs/dbraw/zinc/28/89/83/222288983.db2.gz NJRUCPAXJROXOQ-ZDUSSCGKSA-N -1 0 306.753 1.970 50 0 DDAARM Cc1ccccc1CN(CCO)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426358694 419445422 /nfs/dbraw/zinc/44/54/22/419445422.db2.gz YWLAXLZKKQADGI-UONOGXRCSA-N -1 0 305.374 1.817 50 0 DDAARM C[C@@H](NC(=O)C1Cc2ccccc2C1)c1n[nH]c(CC(=O)[O-])n1 ZINC000426384015 419454568 /nfs/dbraw/zinc/45/45/68/419454568.db2.gz XNUXBJUTEPGZQV-SECBINFHSA-N -1 0 314.345 1.024 50 0 DDAARM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)N=c2ccn(CC(=O)[O-])[nH]2)o1 ZINC000492185631 421211255 /nfs/dbraw/zinc/21/12/55/421211255.db2.gz ZKOIFZCNHBYVFY-SIIXBRRKSA-N -1 0 315.329 1.758 50 0 DDAARM CC(C)(C)c1ncc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000492153264 421207208 /nfs/dbraw/zinc/20/72/08/421207208.db2.gz FXTGSDGFZGLXJS-WYGGZMRJSA-N -1 0 324.402 1.766 50 0 DDAARM COc1cc(C)ccc1OCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000583650602 422209902 /nfs/dbraw/zinc/20/99/02/422209902.db2.gz PJZYUTKLWXSEJB-CQSZACIVSA-N -1 0 323.345 1.085 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(-c2ncccn2)n1 ZINC000583652222 422211934 /nfs/dbraw/zinc/21/19/34/422211934.db2.gz OHTRQRSMYMIRRL-VIFPVBQESA-N -1 0 304.331 1.289 50 0 DDAARM C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1N1CCOCC1 ZINC000583934700 422222523 /nfs/dbraw/zinc/22/25/23/422222523.db2.gz RTHVTHCCGFWGGI-DOMZBBRYSA-N -1 0 318.373 1.178 50 0 DDAARM CN1Cc2ccccc2C[C@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000095382922 290312468 /nfs/dbraw/zinc/31/24/68/290312468.db2.gz KJAGOUCUWPUHTI-AWEZNQCLSA-N -1 0 302.374 1.557 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc(C(C)C)n[nH]1)C(=O)[O-] ZINC000067586941 302494517 /nfs/dbraw/zinc/49/45/17/302494517.db2.gz LBSAAWXCVITAEP-GFCCVEGCSA-N -1 0 305.338 1.429 50 0 DDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000012535992 302956012 /nfs/dbraw/zinc/95/60/12/302956012.db2.gz ZSHFDCLUEJPVCR-UHFFFAOYSA-N -1 0 316.180 1.983 50 0 DDAARM Cn1nccc1CCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000253350460 303065779 /nfs/dbraw/zinc/06/57/79/303065779.db2.gz JHCPGYPFWXWOSX-BNOWGMLFSA-N -1 0 305.378 1.597 50 0 DDAARM O=S(=O)([N-]c1nnc(-c2ccccc2)o1)c1cccnc1 ZINC000097165959 332193717 /nfs/dbraw/zinc/19/37/17/332193717.db2.gz DURNZZZGKLYKPU-UHFFFAOYSA-N -1 0 302.315 1.932 50 0 DDAARM COC[C@@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000073972798 483946318 /nfs/dbraw/zinc/94/63/18/483946318.db2.gz JPMNWOYRSHDHLV-JTQLQIEISA-N -1 0 308.359 1.978 50 0 DDAARM Cc1cc2c(cc1C)[C@H](C(=O)N1CCOC[C@H]1CC(=O)[O-])CO2 ZINC000263518316 484276011 /nfs/dbraw/zinc/27/60/11/484276011.db2.gz FUYQEVKJWOKRAI-TZMCWYRMSA-N -1 0 319.357 1.482 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)CCO1 ZINC000299753047 534524217 /nfs/dbraw/zinc/52/42/17/534524217.db2.gz WQPCANWZHGRLHF-RISCZKNCSA-N -1 0 305.330 1.255 50 0 DDAARM CO[C@H](CS(=O)(=O)[N-]c1ccnc2cccnc12)C1CC1 ZINC000585128763 771960528 /nfs/dbraw/zinc/96/05/28/771960528.db2.gz MYIJHQZCOWCERM-CYBMUJFWSA-N -1 0 307.375 1.218 50 0 DDAARM Cc1nc(-c2ccc(=O)n(C)n2)n(-c2ccccc2C(=O)[O-])n1 ZINC000095504654 185375378 /nfs/dbraw/zinc/37/53/78/185375378.db2.gz LUHDEAHUKRNZNP-UHFFFAOYSA-N -1 0 311.301 1.035 50 0 DDAARM Cc1cc(Cl)ccc1OCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088374290 185247474 /nfs/dbraw/zinc/24/74/74/185247474.db2.gz UELYKDNYMUZUBK-LLVKDONJSA-N -1 0 313.737 1.339 50 0 DDAARM NC(=O)Nc1cccc(C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC000262153049 539275497 /nfs/dbraw/zinc/27/54/97/539275497.db2.gz ORCLSHYFRUEAEQ-UHFFFAOYSA-N -1 0 305.334 1.504 50 0 DDAARM CCOc1ccc(CC(=O)[N-]S(=O)(=O)N2CCCC2)cc1 ZINC000089991110 185275405 /nfs/dbraw/zinc/27/54/05/185275405.db2.gz HUXCZJRPGSZXLR-UHFFFAOYSA-N -1 0 312.391 1.085 50 0 DDAARM C[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)[O-])n1cccn1 ZINC000095463998 185371530 /nfs/dbraw/zinc/37/15/30/185371530.db2.gz NLCIEIUVSLLCOB-GXFFZTMASA-N -1 0 305.309 1.395 50 0 DDAARM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccnc3)ccc21 ZINC000070825871 190919291 /nfs/dbraw/zinc/91/92/91/190919291.db2.gz SAOCUKSCMWYSIK-UHFFFAOYSA-N -1 0 317.370 1.791 50 0 DDAARM Cn1nccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181909312 186218026 /nfs/dbraw/zinc/21/80/26/186218026.db2.gz ZLVULGZEWRCPHB-LLVKDONJSA-N -1 0 311.700 1.768 50 0 DDAARM C[C@@H](CN(C)C(=O)C(C)(C)c1cccc(C#N)c1)c1nnn[n-]1 ZINC000124578031 354040181 /nfs/dbraw/zinc/04/01/81/354040181.db2.gz YZCYJSIRSWVFTA-NSHDSACASA-N -1 0 312.377 1.611 50 0 DDAARM CC1CCC(N2C[C@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)CC1 ZINC000236794014 202011178 /nfs/dbraw/zinc/01/11/78/202011178.db2.gz ULZFCDMTOVNJCN-CEUNDQEZSA-N -1 0 322.405 1.347 50 0 DDAARM C[C@H](c1cccnc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004342890 181100620 /nfs/dbraw/zinc/10/06/20/181100620.db2.gz YJVLFNZBZUJYKU-HDNYONAXSA-N -1 0 300.314 1.009 50 0 DDAARM COCC1(S(=O)(=O)[N-]c2cccc(F)c2C(=O)OC)CC1 ZINC000585140814 354814093 /nfs/dbraw/zinc/81/40/93/354814093.db2.gz JSZGAEDIYMGCKW-UHFFFAOYSA-N -1 0 317.338 1.533 50 0 DDAARM Cc1ccc(O)c(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])c1 ZINC000004939791 181175675 /nfs/dbraw/zinc/17/56/75/181175675.db2.gz FCDFWWDHYRAGLG-ZDUSSCGKSA-N -1 0 318.329 1.865 50 0 DDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000236862915 202041632 /nfs/dbraw/zinc/04/16/32/202041632.db2.gz QJMGOXAOKMHUBJ-VHDGCEQUSA-N -1 0 316.357 1.705 50 0 DDAARM CC[C@H](NC(=O)c1cc(C)ccc1N1CCCC1=O)C(=O)[O-] ZINC000237047843 202133900 /nfs/dbraw/zinc/13/39/00/202133900.db2.gz FYHDSJDGCMDZEP-LBPRGKRZSA-N -1 0 304.346 1.715 50 0 DDAARM COc1cccc(-c2noc(CN3CCC[C@@H]3C(=O)[O-])n2)c1 ZINC000237348118 202239641 /nfs/dbraw/zinc/23/96/41/202239641.db2.gz UWYRYUMZQHKOSB-GFCCVEGCSA-N -1 0 303.318 1.794 50 0 DDAARM C[C@H](OCC1CC1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237566840 202287237 /nfs/dbraw/zinc/28/72/37/202287237.db2.gz XVPNJHTWUFDPCA-XHDPSFHLSA-N -1 0 303.358 1.840 50 0 DDAARM Cc1cc(C)n(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000237655919 202320678 /nfs/dbraw/zinc/32/06/78/202320678.db2.gz LGAVBQFPKWPNIG-RDBSUJKOSA-N -1 0 305.378 1.744 50 0 DDAARM O=C([O-])Cc1cccc(NS(=O)(=O)N2CCCCCC2)c1 ZINC000087844859 304089619 /nfs/dbraw/zinc/08/96/19/304089619.db2.gz PNCFOKDZNPRKMN-UHFFFAOYSA-N -1 0 312.391 1.846 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2)no1 ZINC000237811290 202361614 /nfs/dbraw/zinc/36/16/14/202361614.db2.gz DZFRSMOSJXVNIU-LBPRGKRZSA-N -1 0 301.302 1.592 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000005984786 181303682 /nfs/dbraw/zinc/30/36/82/181303682.db2.gz JCFPMPHELOZYDY-ZANVPECISA-N -1 0 308.334 1.714 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCn2cccn2)C1 ZINC000091587322 193076759 /nfs/dbraw/zinc/07/67/59/193076759.db2.gz YXCMKPWMBKZCRJ-OAHLLOKOSA-N -1 0 309.366 1.003 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000088375628 304135758 /nfs/dbraw/zinc/13/57/58/304135758.db2.gz GHKJJWWXVWHBDQ-QMMMGPOBSA-N -1 0 304.224 1.026 50 0 DDAARM COc1cncc([C@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@H](O)C2)c1 ZINC000222653052 201618388 /nfs/dbraw/zinc/61/83/88/201618388.db2.gz BMLVMZJFJSGCNB-IPURGOFSSA-N -1 0 319.317 1.026 50 0 DDAARM O=C([O-])[C@H]1CC12CCN(C(=O)Cc1ccc3c(c1)CCO3)CC2 ZINC000262304181 203255463 /nfs/dbraw/zinc/25/54/63/203255463.db2.gz RCBNNOOQYXVJJT-CQSZACIVSA-N -1 0 315.369 1.877 50 0 DDAARM CCOc1ccccc1N1C[C@H](C(=O)N[C@@H](C)C(=O)[O-])CC1=O ZINC000262408560 203286914 /nfs/dbraw/zinc/28/69/14/203286914.db2.gz BYJUXTHWCQBVNS-WDEREUQCSA-N -1 0 320.345 1.028 50 0 DDAARM CC(=O)c1cc(C(=O)NCCc2nc(C(=O)[O-])cs2)n(C)c1 ZINC000262387011 203280250 /nfs/dbraw/zinc/28/02/50/203280250.db2.gz ZJLYBWPZQTVAIJ-UHFFFAOYSA-N -1 0 321.358 1.355 50 0 DDAARM Cc1ocnc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263003162 203427215 /nfs/dbraw/zinc/42/72/15/203427215.db2.gz KYHWGBDTFFKSFU-VIFPVBQESA-N -1 0 304.302 1.937 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012649741 181785427 /nfs/dbraw/zinc/78/54/27/181785427.db2.gz CRHBLLDNNBKIOW-STQMWFEESA-N -1 0 305.378 1.662 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013249191 181839108 /nfs/dbraw/zinc/83/91/08/181839108.db2.gz MECMQLWVVHXMPU-QWHCGFSZSA-N -1 0 302.330 1.652 50 0 DDAARM CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)[O-] ZINC000019797609 182150889 /nfs/dbraw/zinc/15/08/89/182150889.db2.gz MSAGTKRTMYZZFX-ZDUSSCGKSA-N -1 0 317.341 1.957 50 0 DDAARM O=C1c2ccccc2N(c2ccc(S(=O)(=O)[O-])cc2)C1=O ZINC000019799624 182151566 /nfs/dbraw/zinc/15/15/66/182151566.db2.gz OMLARUZEFWVAQZ-UHFFFAOYSA-N -1 0 303.295 1.794 50 0 DDAARM CSCC[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000020000705 182176200 /nfs/dbraw/zinc/17/62/00/182176200.db2.gz CNQYLPKESHVNPV-JOYOIKCWSA-N -1 0 311.359 1.149 50 0 DDAARM Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)s1 ZINC000020285339 182202921 /nfs/dbraw/zinc/20/29/21/182202921.db2.gz QNLBIMHPVLRDPT-SNVBAGLBSA-N -1 0 303.405 1.850 50 0 DDAARM COc1cc(NC(=O)c2nn(C)cc2C(=O)[O-])cc(OC)c1 ZINC000020614562 182238789 /nfs/dbraw/zinc/23/87/89/182238789.db2.gz MBAMYYCMRZIOND-UHFFFAOYSA-N -1 0 305.290 1.388 50 0 DDAARM CC(C)Oc1cccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)c1 ZINC000101675467 193834316 /nfs/dbraw/zinc/83/43/16/193834316.db2.gz WHXKKBWUEIDWQO-LBPRGKRZSA-N -1 0 301.306 1.444 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268922601 207090027 /nfs/dbraw/zinc/09/00/27/207090027.db2.gz TYDGBVIAFDZDDL-KBPBESRZSA-N -1 0 313.357 1.826 50 0 DDAARM C[C@H](CN(C)C(=O)c1ccc(N2CCNC2=O)cc1)C(=O)[O-] ZINC000268926667 207093469 /nfs/dbraw/zinc/09/34/69/207093469.db2.gz FNLIMZQRGPXEMO-SNVBAGLBSA-N -1 0 305.334 1.009 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000268962593 207126139 /nfs/dbraw/zinc/12/61/39/207126139.db2.gz APUHESMWSJLLBE-GFCCVEGCSA-N -1 0 320.276 1.005 50 0 DDAARM Cc1cccc(NC(=O)[C@H](Cc2ccncc2)c2nnn[n-]2)c1 ZINC000057523514 184041049 /nfs/dbraw/zinc/04/10/49/184041049.db2.gz JZZLLWBVHGVZTH-CQSZACIVSA-N -1 0 308.345 1.868 50 0 DDAARM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000058014811 184067335 /nfs/dbraw/zinc/06/73/35/184067335.db2.gz IDPIOFMUCKCHTF-UHFFFAOYSA-N -1 0 310.331 1.863 50 0 DDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)CCCNC(=O)C(C)(C)C ZINC000061216301 184165869 /nfs/dbraw/zinc/16/58/69/184165869.db2.gz GJPPPTFIEYYLSP-NSHDSACASA-N -1 0 300.399 1.498 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc3cnccc32)C1 ZINC000062132714 184207632 /nfs/dbraw/zinc/20/76/32/184207632.db2.gz FLUHWSHBOVFYNF-NSHDSACASA-N -1 0 306.343 1.330 50 0 DDAARM O=C([O-])c1ccc(-n2c(=O)[nH]nc2[C@@H](O)c2ccccc2)cc1 ZINC000065387190 184334051 /nfs/dbraw/zinc/33/40/51/184334051.db2.gz BYNUWELFGZZDDB-ZDUSSCGKSA-N -1 0 311.297 1.341 50 0 DDAARM Cn1ncnc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000294923213 224314414 /nfs/dbraw/zinc/31/44/14/224314414.db2.gz CMYMEMFMIRELOY-UHFFFAOYSA-N -1 0 306.347 1.135 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000005817129 257262745 /nfs/dbraw/zinc/26/27/45/257262745.db2.gz VDPZDRBXCKEVJM-UONOGXRCSA-N -1 0 304.346 1.330 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)n1 ZINC000122980206 195529028 /nfs/dbraw/zinc/52/90/28/195529028.db2.gz MROHATKKSRAKIN-GHMZBOCLSA-N -1 0 321.283 1.988 50 0 DDAARM COc1ccc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)cc1 ZINC000040478870 286265693 /nfs/dbraw/zinc/26/56/93/286265693.db2.gz XBMCBMNAAHUEFF-UHFFFAOYSA-N -1 0 312.281 1.386 50 0 DDAARM CCO[C@H]1CN(c2cc(C)nc(-c3ccccc3[O-])n2)C[C@@H]1O ZINC000222857499 407560618 /nfs/dbraw/zinc/56/06/18/407560618.db2.gz WZWVSOKTJSPWCL-GJZGRUSLSA-N -1 0 315.373 1.744 50 0 DDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Cn1cc(C2CC2)nn1 ZINC000128689147 407564531 /nfs/dbraw/zinc/56/45/31/407564531.db2.gz WSSXZVIQEPVDNX-UHFFFAOYSA-N -1 0 300.318 1.801 50 0 DDAARM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000001059002 406662430 /nfs/dbraw/zinc/66/24/30/406662430.db2.gz YFVVMTWDTLOOPR-UHFFFAOYSA-N -1 0 319.386 1.561 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000069628432 406745809 /nfs/dbraw/zinc/74/58/09/406745809.db2.gz RCMSONRCGLEUEM-RYUDHWBXSA-N -1 0 300.314 1.536 50 0 DDAARM Cc1ccc(Oc2ccc(NC(=O)c3nc(=O)[nH][n-]3)cn2)cc1 ZINC000069626383 406746936 /nfs/dbraw/zinc/74/69/36/406746936.db2.gz VUEFMGYVMVKVAD-UHFFFAOYSA-N -1 0 311.301 1.846 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1Cl ZINC000009761543 406813329 /nfs/dbraw/zinc/81/33/29/406813329.db2.gz GADCBCWQYNKDSB-UHFFFAOYSA-N -1 0 301.755 1.883 50 0 DDAARM CSc1nn2c([n-]1)nc(CSc1ncccn1)cc2=O ZINC000009340415 406807753 /nfs/dbraw/zinc/80/77/53/406807753.db2.gz JUKIOMGCQHXAKU-UHFFFAOYSA-N -1 0 306.376 1.634 50 0 DDAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000009366408 406808011 /nfs/dbraw/zinc/80/80/11/406808011.db2.gz JFUHMPIIEPALOC-UHFFFAOYSA-N -1 0 309.347 1.614 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c(OC)c1 ZINC000012323236 406839875 /nfs/dbraw/zinc/83/98/75/406839875.db2.gz RKZHJFNNMINYNU-NSHDSACASA-N -1 0 302.290 1.279 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CO3)[C@@H]1C(=O)[O-] ZINC000071284468 406836466 /nfs/dbraw/zinc/83/64/66/406836466.db2.gz ZAIOFDPMSKXRFI-NWDGAFQWSA-N -1 0 304.302 1.962 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)NCc2cccnc2)ccc1F ZINC000013075157 406858444 /nfs/dbraw/zinc/85/84/44/406858444.db2.gz REBUITWCGVRBID-UHFFFAOYSA-N -1 0 310.306 1.397 50 0 DDAARM Cc1nn(C[C@@H]2N[C@H](C(=O)[O-])CS2)c(C)c1Br ZINC000034926131 406965685 /nfs/dbraw/zinc/96/56/85/406965685.db2.gz ZAYBVFKJMUWNCU-JGVFFNPUSA-N -1 0 320.212 1.378 50 0 DDAARM Cc1nn(C[C@@H]2N[C@@H](C(=O)[O-])CS2)c(C)c1Br ZINC000034926133 406965832 /nfs/dbraw/zinc/96/58/32/406965832.db2.gz ZAYBVFKJMUWNCU-HTQZYQBOSA-N -1 0 320.212 1.378 50 0 DDAARM Cc1cc(CN(C)S(=O)(=O)c2cccc(C(=O)[O-])c2)no1 ZINC000035246922 406970101 /nfs/dbraw/zinc/97/01/01/406970101.db2.gz OERLLHIQPHREBB-UHFFFAOYSA-N -1 0 310.331 1.502 50 0 DDAARM CC(C)(C)c1cn2nc(NCCCc3n[nH]c(=O)[n-]3)sc2n1 ZINC000075094334 406921911 /nfs/dbraw/zinc/92/19/11/406921911.db2.gz OUWSEANHDSPGDU-UHFFFAOYSA-N -1 0 321.410 1.544 50 0 DDAARM O=C(NCc1n[nH]c(=O)[n-]1)c1csc(-c2ccccc2)n1 ZINC000075092739 406922006 /nfs/dbraw/zinc/92/20/06/406922006.db2.gz WIHQTSVTMZAFRC-UHFFFAOYSA-N -1 0 301.331 1.152 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)cc1C ZINC000075162055 406926060 /nfs/dbraw/zinc/92/60/60/406926060.db2.gz VWWGLYGONYZPTK-UHFFFAOYSA-N -1 0 322.390 1.660 50 0 DDAARM Cc1ccccc1[N-]S(=O)(=O)c1cc2c(=O)[nH]nc(C)n2c1 ZINC000075536524 406935046 /nfs/dbraw/zinc/93/50/46/406935046.db2.gz PEAGYYQWQBUESW-UHFFFAOYSA-N -1 0 318.358 1.440 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(=O)[nH]ncn3c2)cc1F ZINC000075874143 406944186 /nfs/dbraw/zinc/94/41/86/406944186.db2.gz SMARIGMRNIKYML-UHFFFAOYSA-N -1 0 322.321 1.271 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)ncc1Br ZINC000079015664 407049548 /nfs/dbraw/zinc/04/95/48/407049548.db2.gz NEUBJPQMYXQNTJ-UHFFFAOYSA-N -1 0 317.168 1.676 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cn(CC)c(C)n1 ZINC000050265526 407129984 /nfs/dbraw/zinc/12/99/84/407129984.db2.gz JLYHJOMEYWUUKZ-VIFPVBQESA-N -1 0 303.384 1.085 50 0 DDAARM Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2ccnn2C)cc1F ZINC000089570503 407139644 /nfs/dbraw/zinc/13/96/44/407139644.db2.gz UKFBJWZZNUZTQD-UHFFFAOYSA-N -1 0 315.301 1.125 50 0 DDAARM COc1cc(CCC(=O)N(C)C[C@H](C)C(=O)[O-])cc(OC)c1 ZINC000089895803 407156095 /nfs/dbraw/zinc/15/60/95/407156095.db2.gz ZFAZUBGYAAXMHN-NSHDSACASA-N -1 0 309.362 1.816 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@H]2Cc3ccccc3O2)n1 ZINC000090932511 407172621 /nfs/dbraw/zinc/17/26/21/407172621.db2.gz OTEHIWSDQXWMSW-LLVKDONJSA-N -1 0 304.327 1.461 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2COc3ccccc32)n1 ZINC000090932675 407172634 /nfs/dbraw/zinc/17/26/34/407172634.db2.gz LYVASRJPDBHZAM-SECBINFHSA-N -1 0 304.327 1.634 50 0 DDAARM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cnn(CCC(=O)[O-])c2)C1 ZINC000091691370 407183636 /nfs/dbraw/zinc/18/36/36/407183636.db2.gz UWFRAWMGTXOPTB-OAHLLOKOSA-N -1 0 309.366 1.435 50 0 DDAARM Cc1ccc(S(=O)(=O)Nc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000096319432 407258968 /nfs/dbraw/zinc/25/89/68/407258968.db2.gz RFBWECUDABJDOD-UHFFFAOYSA-N -1 0 319.346 1.248 50 0 DDAARM Cc1ncsc1CCC(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000095358929 407209273 /nfs/dbraw/zinc/20/92/73/407209273.db2.gz GVTZLDFNQGUEAQ-NSHDSACASA-N -1 0 308.359 1.789 50 0 DDAARM O=C([O-])[C@@H](c1ccsc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000095384380 407211591 /nfs/dbraw/zinc/21/15/91/407211591.db2.gz AIDNLSWVDFKXMU-CQSZACIVSA-N -1 0 308.403 1.961 50 0 DDAARM CCC[C@@H](NC(=O)c1ccc(Br)o1)c1nnn[n-]1 ZINC000096459595 407270104 /nfs/dbraw/zinc/27/01/04/407270104.db2.gz HWBOOPNZCGZRMX-ZCFIWIBFSA-N -1 0 314.143 1.826 50 0 DDAARM CC(C)c1nc(N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)no1 ZINC000067834105 407286435 /nfs/dbraw/zinc/28/64/35/407286435.db2.gz HYNNBPPUTSZDKM-JTQLQIEISA-N -1 0 320.353 1.399 50 0 DDAARM CCCc1nc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)cs1 ZINC000067885411 407288853 /nfs/dbraw/zinc/28/88/53/407288853.db2.gz HZYVSUCXBOYGTR-GFCCVEGCSA-N -1 0 322.390 1.991 50 0 DDAARM COc1cc(OC)c(CN(C)Cc2cnn(C)c2)c(C(=O)[O-])c1 ZINC000097492464 407298549 /nfs/dbraw/zinc/29/85/49/407298549.db2.gz IZZMBGDILYGVFX-UHFFFAOYSA-N -1 0 319.361 1.768 50 0 DDAARM Cc1cnn([C@@H](C)c2nc(-c3ccncc3)nn2CC(=O)[O-])c1 ZINC000097532590 407299509 /nfs/dbraw/zinc/29/95/09/407299509.db2.gz DTBQBMHEWPDDML-NSHDSACASA-N -1 0 312.333 1.539 50 0 DDAARM CCCc1cc(-c2nc(-c3ccco3)nn2CC(=O)[O-])n(C)n1 ZINC000097601082 407300420 /nfs/dbraw/zinc/30/04/20/407300420.db2.gz YUUFEDXKKGYMRH-UHFFFAOYSA-N -1 0 315.333 1.976 50 0 DDAARM CN(Cc1cnn(CCC(=O)[O-])c1)Cc1[nH]nc2c1CCC2 ZINC000097619602 407300635 /nfs/dbraw/zinc/30/06/35/407300635.db2.gz MPVBCSURMLOKEP-UHFFFAOYSA-N -1 0 303.366 1.202 50 0 DDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2cc(Cl)ccc2Cl)c1=O ZINC000100316077 407307523 /nfs/dbraw/zinc/30/75/23/407307523.db2.gz HCLPZJRXXYDKAO-SECBINFHSA-N -1 0 315.112 1.781 50 0 DDAARM COC[C@H]1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1 ZINC000170635636 407459921 /nfs/dbraw/zinc/45/99/21/407459921.db2.gz PUNDVTRFBGYFCM-VIFPVBQESA-N -1 0 319.386 1.320 50 0 DDAARM COc1ccccc1N1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000261854599 407644034 /nfs/dbraw/zinc/64/40/34/407644034.db2.gz DXVYZCPIRHLXJS-UHFFFAOYSA-N -1 0 304.346 1.209 50 0 DDAARM CCc1ccc(S(=O)(=O)NCc2cnn(C)c2)cc1C(=O)[O-] ZINC000152963235 407725182 /nfs/dbraw/zinc/72/51/82/407725182.db2.gz JNIOLBRHNIZZPP-UHFFFAOYSA-N -1 0 323.374 1.159 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000236664260 407742914 /nfs/dbraw/zinc/74/29/14/407742914.db2.gz MIBRPYJNDNMIQS-MRXNPFEDSA-N -1 0 304.346 1.260 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000236719306 407760575 /nfs/dbraw/zinc/76/05/75/407760575.db2.gz GEYUGQXBMFYZMI-HUUCEWRRSA-N -1 0 318.373 1.495 50 0 DDAARM CCN(CC)S(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000241653395 407912160 /nfs/dbraw/zinc/91/21/60/407912160.db2.gz PUUFPZINZBTQIE-WOPDTQHZSA-N -1 0 304.412 1.291 50 0 DDAARM CC(C)C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccoc1)C(=O)[O-] ZINC000262502773 407851394 /nfs/dbraw/zinc/85/13/94/407851394.db2.gz NTMGKAGSTHOOPF-JQWIXIFHSA-N -1 0 310.350 1.261 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cccc(C)n2)(C(=O)[O-])C1(C)C ZINC000262762369 407919797 /nfs/dbraw/zinc/91/97/97/407919797.db2.gz FWTJBCANRUOJGB-WBMJQRKESA-N -1 0 306.362 1.778 50 0 DDAARM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1nccs1 ZINC000244718811 407935630 /nfs/dbraw/zinc/93/56/30/407935630.db2.gz LRFQPSUMIPDJOE-UHFFFAOYSA-N -1 0 305.359 1.912 50 0 DDAARM C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccnn1C ZINC000263161338 408043123 /nfs/dbraw/zinc/04/31/23/408043123.db2.gz IJBPQHKRBBXFNZ-WCQYABFASA-N -1 0 301.346 1.336 50 0 DDAARM C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000262965074 407988997 /nfs/dbraw/zinc/98/89/97/407988997.db2.gz MHKONNLTNPKVBG-MNOVXSKESA-N -1 0 301.346 1.675 50 0 DDAARM COc1cc(Cl)c(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1OC ZINC000262989994 407996379 /nfs/dbraw/zinc/99/63/79/407996379.db2.gz ZSCWGYXEWBGQSB-ZCFIWIBFSA-N -1 0 323.754 1.109 50 0 DDAARM CCc1nnsc1C(=O)N(CC(=O)[O-])Cc1ccc(F)cc1 ZINC000263021666 408004051 /nfs/dbraw/zinc/00/40/51/408004051.db2.gz TZRVKZOHVGNMHW-UHFFFAOYSA-N -1 0 323.349 1.967 50 0 DDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(N2CCCC2=O)cc1 ZINC000263357526 408117196 /nfs/dbraw/zinc/11/71/96/408117196.db2.gz XLMSSVHWQPQOLC-TXEJJXNPSA-N -1 0 302.330 1.406 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 ZINC000263560852 408176095 /nfs/dbraw/zinc/17/60/95/408176095.db2.gz RJZROFUVGROTDC-RYUDHWBXSA-N -1 0 308.353 1.752 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2ccnc3ccccc23)CCO1 ZINC000178279840 408799147 /nfs/dbraw/zinc/79/91/47/408799147.db2.gz TXFLBZSZLHRUJK-LLYBFZRZSA-N -1 0 312.325 1.560 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccccc3)no2)CCO1 ZINC000262037659 163753526 /nfs/dbraw/zinc/75/35/26/163753526.db2.gz ZWJAFSHRIGWPMH-ZDUSSCGKSA-N -1 0 302.286 1.267 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CCOC[C@@H]3CC(=O)[O-])cc2c1 ZINC000263519894 163979076 /nfs/dbraw/zinc/97/90/76/163979076.db2.gz GRADAGXOPZXHAZ-NSHDSACASA-N -1 0 318.329 1.492 50 0 DDAARM Cc1nc([C@H]2CCOC2)cc(N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000299776759 410620265 /nfs/dbraw/zinc/62/02/65/410620265.db2.gz LJNMLGSPXDAXPR-LBPRGKRZSA-N -1 0 305.378 1.980 50 0 DDAARM O=C([O-])c1csc(NC(=O)CS(=O)(=O)C2CCCC2)c1 ZINC000573307394 421945052 /nfs/dbraw/zinc/94/50/52/421945052.db2.gz QFZFEUIMOOIDEC-UHFFFAOYSA-N -1 0 317.388 1.742 50 0 DDAARM CC[C@@](CNC(=O)c1cnnc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000630195741 421951488 /nfs/dbraw/zinc/95/14/88/421951488.db2.gz CFBLEQXJWBTRNS-KRWDZBQOSA-N -1 0 313.357 1.947 50 0 DDAARM COc1cccc([C@H](NC(=O)[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)C(=O)[O-])c1 ZINC000630205666 421958583 /nfs/dbraw/zinc/95/85/83/421958583.db2.gz JZUFHFJCJQBDFE-XWKQNIGYSA-N -1 0 321.373 1.997 50 0 DDAARM CC(=O)N1CCC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)C1 ZINC000299743869 278019825 /nfs/dbraw/zinc/01/98/25/278019825.db2.gz PQHBMLWWFABKLJ-QPSCCSFWSA-N -1 0 322.405 1.489 50 0 DDAARM CC(=O)SC[C@H](C)C(=O)N1[C@@H](C(=O)[O-])CSC1(C)C ZINC000039331938 278223149 /nfs/dbraw/zinc/22/31/49/278223149.db2.gz BBCOUGJJTVEWAV-IONNQARKSA-N -1 0 305.421 1.667 50 0 DDAARM CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000013028405 280612284 /nfs/dbraw/zinc/61/22/84/280612284.db2.gz UJVHLUFDHZXNJW-AAEUAGOBSA-N -1 0 313.375 1.019 50 0 DDAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2F)C[C@H](C)O1 ZINC000008030052 300286465 /nfs/dbraw/zinc/28/64/65/300286465.db2.gz WVOJRRGMQWUFRK-IUCAKERBSA-N -1 0 317.338 1.322 50 0 DDAARM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1N1CCNC1=O ZINC000095384993 301504333 /nfs/dbraw/zinc/50/43/33/301504333.db2.gz XJCACUVIXXSDAI-LBPRGKRZSA-N -1 0 317.345 1.214 50 0 DDAARM CN(C)c1cccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000515040580 302761794 /nfs/dbraw/zinc/76/17/94/302761794.db2.gz FXYXEJJCNGKPHZ-UHFFFAOYSA-N -1 0 306.362 1.458 50 0 DDAARM NC(=O)[C@@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2ccc(Cl)cc21 ZINC000020745402 303300180 /nfs/dbraw/zinc/30/01/80/303300180.db2.gz JTLBHLHMNBXTSI-STQMWFEESA-N -1 0 321.764 1.897 50 0 DDAARM CCc1nc(=N[C@H]2CCCC[C@H]2n2cc(CO)nn2)s[n-]1 ZINC000585092949 483919960 /nfs/dbraw/zinc/91/99/60/483919960.db2.gz VRGMNEKBXUTMJQ-WDEREUQCSA-N -1 0 308.411 1.202 50 0 DDAARM O=C([O-])[C@H](CNC(=O)c1ccc2c(n1)OCCO2)CC1CC1 ZINC000656244881 484043566 /nfs/dbraw/zinc/04/35/66/484043566.db2.gz UJPMNGZOSRFXFK-JTQLQIEISA-N -1 0 306.318 1.084 50 0 DDAARM C[C@@H]1[C@@H](C(F)(F)F)OCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000659218015 484694134 /nfs/dbraw/zinc/69/41/34/484694134.db2.gz MJIOBQLYASDVAO-XCBNKYQSSA-N -1 0 318.251 1.572 50 0 DDAARM O=C([O-])CN1CC[C@@H](Oc2ccc(Cl)c(F)c2F)C1=O ZINC000663220040 484742565 /nfs/dbraw/zinc/74/25/65/484742565.db2.gz MQWXQWLXPZXUCI-MRVPVSSYSA-N -1 0 305.664 1.683 50 0 DDAARM Cc1nc2ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc2s1 ZINC000201469394 563959436 /nfs/dbraw/zinc/95/94/36/563959436.db2.gz NGAVKVRKXFBIQC-ZCFIWIBFSA-N -1 0 300.361 1.356 50 0 DDAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1Cn1cccn1 ZINC000020606346 696070843 /nfs/dbraw/zinc/07/08/43/696070843.db2.gz AIOBZKASUSSCOZ-JSGCOSHPSA-N -1 0 319.386 1.728 50 0 DDAARM CN(C)c1ncc(/C=C/C(=O)N2CCC[C@](C)(C(=O)[O-])C2)cn1 ZINC000952991512 721533661 /nfs/dbraw/zinc/53/36/61/721533661.db2.gz TWZKOTOBMIOFPO-JFDDCEBESA-N -1 0 318.377 1.269 50 0 DDAARM O=S(=O)(c1ncc[n-]1)N1CCC[C@@H](c2ccncc2)CC1 ZINC000952993511 721534155 /nfs/dbraw/zinc/53/41/55/721534155.db2.gz IDYXIBORWVANFK-GFCCVEGCSA-N -1 0 306.391 1.763 50 0 DDAARM C/C(=C\C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccncc1 ZINC000584907898 736152063 /nfs/dbraw/zinc/15/20/63/736152063.db2.gz BUHHMKBWVOJVOO-PKNBQFBNSA-N -1 0 303.343 1.385 50 0 DDAARM O=C([O-])[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CCO1 ZINC000828488899 759652631 /nfs/dbraw/zinc/65/26/31/759652631.db2.gz IGPZFROWAVKMPO-CQSZACIVSA-N -1 0 309.749 1.901 50 0 DDAARM Cn1ncc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1-n1cccc1 ZINC000225443537 201710244 /nfs/dbraw/zinc/71/02/44/201710244.db2.gz CKQVRXUREFNWDY-UHFFFAOYSA-N -1 0 324.340 1.839 50 0 DDAARM CCOc1ccc([C@H](C)NC(=O)Cn2[n-]c(=O)ccc2=O)cc1 ZINC000089991095 185275409 /nfs/dbraw/zinc/27/54/09/185275409.db2.gz DQKZBFLEMYAHEW-NSHDSACASA-N -1 0 317.345 1.225 50 0 DDAARM Cc1onc(N)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000072405144 191152242 /nfs/dbraw/zinc/15/22/42/191152242.db2.gz VVWJZUUOAIOWLR-UHFFFAOYSA-N -1 0 311.319 1.137 50 0 DDAARM COc1cccc(C(=O)N(Cc2n[nH]c(=O)[n-]2)c2ccccc2)c1 ZINC000072405457 191152377 /nfs/dbraw/zinc/15/23/77/191152377.db2.gz DOGDSLPNQDVOFY-UHFFFAOYSA-N -1 0 324.340 1.954 50 0 DDAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCc1cc(Cl)no1 ZINC000072434708 191166771 /nfs/dbraw/zinc/16/67/71/191166771.db2.gz SOHDQGMCPIXHKZ-GFCCVEGCSA-N -1 0 324.724 1.194 50 0 DDAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccccc1 ZINC000061718626 352892736 /nfs/dbraw/zinc/89/27/36/352892736.db2.gz GULSWIZNDZSPQR-CYBMUJFWSA-N -1 0 306.387 1.435 50 0 DDAARM CCOc1ccc(C(=O)CC[NH2+][C@@H](CC(=O)[O-])C(=O)[O-])cc1 ZINC000002922168 180970638 /nfs/dbraw/zinc/97/06/38/180970638.db2.gz CZGKTZORIHFRPP-LBPRGKRZSA-N -1 0 309.318 1.176 50 0 DDAARM COC(=O)c1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000004292243 181093386 /nfs/dbraw/zinc/09/33/86/181093386.db2.gz CWUWGFYKQKBGPI-UHFFFAOYSA-N -1 0 320.330 1.095 50 0 DDAARM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000075572275 191492764 /nfs/dbraw/zinc/49/27/64/191492764.db2.gz WVVFXTFWMCVFQQ-UHFFFAOYSA-N -1 0 310.331 1.961 50 0 DDAARM CCOc1ccccc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000005009488 181190075 /nfs/dbraw/zinc/19/00/75/181190075.db2.gz PDQIVGKRHHTCCG-UHFFFAOYSA-N -1 0 306.347 1.707 50 0 DDAARM CCN(CC(=O)[O-])C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000236965174 202098064 /nfs/dbraw/zinc/09/80/64/202098064.db2.gz FWVUBCCCWCGUFJ-JXMROGBWSA-N -1 0 316.357 1.760 50 0 DDAARM CCOCc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)[O-])cc1 ZINC000237001317 202116531 /nfs/dbraw/zinc/11/65/31/202116531.db2.gz QKQLKAFZRYOKLD-HNNXBMFYSA-N -1 0 320.389 1.388 50 0 DDAARM Cc1cscc1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000237039989 202133119 /nfs/dbraw/zinc/13/31/19/202133119.db2.gz HVTHFBQTWWBKFJ-NSHDSACASA-N -1 0 324.402 1.452 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000237280372 202214830 /nfs/dbraw/zinc/21/48/30/202214830.db2.gz KCRYFFKIJQMPKK-WDEREUQCSA-N -1 0 313.300 1.628 50 0 DDAARM C[C@@H](CN(C)C(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000237384147 202250456 /nfs/dbraw/zinc/25/04/56/202250456.db2.gz GXKWFBVAHUXSFK-LBPRGKRZSA-N -1 0 318.373 1.535 50 0 DDAARM Cc1nc(-c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2)n[nH]1 ZINC000237676507 202325279 /nfs/dbraw/zinc/32/52/79/202325279.db2.gz FZHCGYFCBIQCRJ-LBPRGKRZSA-N -1 0 300.318 1.469 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])nn2)cc1 ZINC000237828536 202364066 /nfs/dbraw/zinc/36/40/66/202364066.db2.gz CUJOYIZYCKMNFF-CQSZACIVSA-N -1 0 314.345 1.655 50 0 DDAARM O=C([O-])C1(NC(=O)CCN2C(=O)CCc3ccccc32)CC1 ZINC000237924369 202393525 /nfs/dbraw/zinc/39/35/25/202393525.db2.gz IBOGFBZBYZUWJK-UHFFFAOYSA-N -1 0 302.330 1.089 50 0 DDAARM CCNc1ccnc(N2CCC[C@](CCOC)(C(=O)[O-])C2)n1 ZINC000091872188 193121506 /nfs/dbraw/zinc/12/15/06/193121506.db2.gz CTCAYWIOGNYCQA-OAHLLOKOSA-N -1 0 308.382 1.616 50 0 DDAARM Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262351979 203271534 /nfs/dbraw/zinc/27/15/34/203271534.db2.gz BNCTXADBQVXKJH-WDEREUQCSA-N -1 0 311.359 1.199 50 0 DDAARM CCN(CC(=O)[O-])C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000262464900 203302128 /nfs/dbraw/zinc/30/21/28/203302128.db2.gz SSXMNNLOCZKEKP-UHFFFAOYSA-N -1 0 313.737 1.587 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1ccc2c(c1)OCCO2 ZINC000095508350 304153457 /nfs/dbraw/zinc/15/34/57/304153457.db2.gz NOJSWAUUJDKBSQ-ZDUSSCGKSA-N -1 0 315.329 1.192 50 0 DDAARM C[C@@H](CCc1cccn1C)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000095969774 193466282 /nfs/dbraw/zinc/46/62/82/193466282.db2.gz DOEMPUQPVCPHFD-NSHDSACASA-N -1 0 301.346 1.869 50 0 DDAARM Cc1cc(S(=O)(=O)N(C)c2ccn(C)n2)sc1C(=O)[O-] ZINC000274959202 212042025 /nfs/dbraw/zinc/04/20/25/212042025.db2.gz URUAUJJUWHHXEA-UHFFFAOYSA-N -1 0 315.376 1.313 50 0 DDAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000016478915 182046484 /nfs/dbraw/zinc/04/64/84/182046484.db2.gz NOWMDHIMXGPGRW-UHFFFAOYSA-N -1 0 314.363 1.164 50 0 DDAARM COc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1C ZINC000017945677 182088268 /nfs/dbraw/zinc/08/82/68/182088268.db2.gz USWPLQWFLNYFAJ-UHFFFAOYSA-N -1 0 321.358 1.225 50 0 DDAARM C[C@H](C(=O)[O-])S(=O)(=O)Cc1ccc(Br)cc1 ZINC000019519523 182127619 /nfs/dbraw/zinc/12/76/19/182127619.db2.gz RZRPIXOYOQYLCN-SSDOTTSWSA-N -1 0 307.165 1.837 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)[O-])CC1 ZINC000019685896 182136818 /nfs/dbraw/zinc/13/68/18/182136818.db2.gz HNVZZVGKJUDKLU-UHFFFAOYSA-N -1 0 302.352 1.167 50 0 DDAARM O=C([O-])CCc1nc2cccnc2n(Cc2ccccc2)c1=O ZINC000019767979 182144539 /nfs/dbraw/zinc/14/45/39/182144539.db2.gz ADMZXOIERCLARO-UHFFFAOYSA-N -1 0 309.325 1.857 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000019844361 182156331 /nfs/dbraw/zinc/15/63/31/182156331.db2.gz PVZZRMYVFSLWKH-UHFFFAOYSA-N -1 0 308.153 1.398 50 0 DDAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1-c1ncoc1C1CC1 ZINC000097696327 193747853 /nfs/dbraw/zinc/74/78/53/193747853.db2.gz ADWMAXZOZMCOKG-VIFPVBQESA-N -1 0 304.306 1.399 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)no1 ZINC000021768913 182288104 /nfs/dbraw/zinc/28/81/04/182288104.db2.gz VLLPPSUIPZMKJR-UHFFFAOYSA-N -1 0 309.347 1.486 50 0 DDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCCCn1ccnc1 ZINC000039349690 183017011 /nfs/dbraw/zinc/01/70/11/183017011.db2.gz HNSLYXUHSVULQH-CLRIEMFWSA-N -1 0 305.378 1.526 50 0 DDAARM NC1=NC(=O)C(CCC[C@H](C(=O)[O-])c2cccs2)C(=O)N1 ZINC000039438680 183018052 /nfs/dbraw/zinc/01/80/52/183018052.db2.gz QWXDGHFNFKILPT-ZETCQYMHSA-N -1 0 309.347 1.723 50 0 DDAARM CCOC(=O)c1ccc(NC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000040546196 183099060 /nfs/dbraw/zinc/09/90/60/183099060.db2.gz DBKTYIOXFDBCLS-LBPRGKRZSA-N -1 0 306.318 1.944 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000268914708 207080759 /nfs/dbraw/zinc/08/07/59/207080759.db2.gz PLCRYPFKIHGHSB-ZIAGYGMSSA-N -1 0 321.348 1.711 50 0 DDAARM COc1ccc(-n2ccc(CNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])n2)cc1 ZINC000268925399 207091735 /nfs/dbraw/zinc/09/17/35/207091735.db2.gz VNXUABDQZBTFIX-KGLIPLIRSA-N -1 0 315.329 1.218 50 0 DDAARM C[C@H](OCc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000268932525 207096544 /nfs/dbraw/zinc/09/65/44/207096544.db2.gz AUJMVVXFIFPGCO-GXTWGEPZSA-N -1 0 307.346 1.294 50 0 DDAARM O=C([O-])c1cc2cncnc2n1S(=O)(=O)c1ccccc1 ZINC000242722739 304229419 /nfs/dbraw/zinc/22/94/19/304229419.db2.gz XTGXGYDAGYMGAB-UHFFFAOYSA-N -1 0 303.299 1.367 50 0 DDAARM CC(C)(C)c1ncc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000268974464 207137581 /nfs/dbraw/zinc/13/75/81/207137581.db2.gz IXOBAWDKUUJDHT-ZWNMCFTASA-N -1 0 324.402 1.766 50 0 DDAARM Cc1ccccc1OCCCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269053182 207202820 /nfs/dbraw/zinc/20/28/20/207202820.db2.gz VZLZZKFMQJWJPV-AWEZNQCLSA-N -1 0 321.373 1.856 50 0 DDAARM Cc1cc(C(F)(F)F)nc(CN2C[C@H](C(=O)[O-])CC2=O)n1 ZINC000065397338 184335782 /nfs/dbraw/zinc/33/57/82/184335782.db2.gz QADYOIMREINESI-SSDOTTSWSA-N -1 0 303.240 1.237 50 0 DDAARM CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H]2C(=O)[O-])C1 ZINC000158490470 197277575 /nfs/dbraw/zinc/27/75/75/197277575.db2.gz XOTOUKPMXOSWIK-QWHCGFSZSA-N -1 0 324.421 1.737 50 0 DDAARM CC(C)c1nn(C)c(Cl)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000236834773 257239674 /nfs/dbraw/zinc/23/96/74/257239674.db2.gz YIDZJRTXZMPOFA-MRVPVSSYSA-N -1 0 315.757 1.123 50 0 DDAARM O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000000049419 406614318 /nfs/dbraw/zinc/61/43/18/406614318.db2.gz KPLVGEIUBZDTHL-ZDUSSCGKSA-N -1 0 320.320 1.254 50 0 DDAARM COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)[O-] ZINC000001184004 406664668 /nfs/dbraw/zinc/66/46/68/406664668.db2.gz YHWHPIIHJQARCQ-WDZFZDKYSA-N -1 0 323.326 1.825 50 0 DDAARM C=C1NC([S-])=[NH+][C@@H](c2ccc(C(=O)[O-])cc2)C1C(=O)OC ZINC000002482020 406687294 /nfs/dbraw/zinc/68/72/94/406687294.db2.gz GZEBTMRPQDLJIG-NSHDSACASA-N -1 0 306.343 1.762 50 0 DDAARM CCn1ccc(C(=O)[N-]n2c(=O)c3ccccc3[nH]c2=S)n1 ZINC000002793135 406701117 /nfs/dbraw/zinc/70/11/17/406701117.db2.gz IDECRQSSSNPDEH-UHFFFAOYSA-N -1 0 315.358 1.286 50 0 DDAARM COc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c(OC)c1 ZINC000000371752 406642889 /nfs/dbraw/zinc/64/28/89/406642889.db2.gz YJFRWKBHTHRBMP-XWUBHJNHSA-N -1 0 319.313 1.297 50 0 DDAARM CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000006848130 406741817 /nfs/dbraw/zinc/74/18/17/406741817.db2.gz ADUOAIBOPUWDDZ-SECBINFHSA-N -1 0 301.364 1.860 50 0 DDAARM CCOc1ccccc1C(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000069442786 406712073 /nfs/dbraw/zinc/71/20/73/406712073.db2.gz XWTUKZBGBKXBFU-UHFFFAOYSA-N -1 0 306.362 1.318 50 0 DDAARM O=c1[n-]c(=O)c(SCc2cccc(Br)c2)n[nH]1 ZINC000007998522 406775114 /nfs/dbraw/zinc/77/51/14/406775114.db2.gz MASBGNDCPYEJOK-UHFFFAOYSA-N -1 0 314.164 1.513 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2cccc(C(=O)NC3CC3)c2)[C@@H]1C(=O)[O-] ZINC000071285432 406836042 /nfs/dbraw/zinc/83/60/42/406836042.db2.gz TYCBEKVUELNSMY-QWHCGFSZSA-N -1 0 316.357 1.874 50 0 DDAARM COCCCNc1nnc(Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000013113949 406858275 /nfs/dbraw/zinc/85/82/75/406858275.db2.gz XIAQJXUSXCJLRG-UHFFFAOYSA-N -1 0 308.769 1.858 50 0 DDAARM COc1ccccc1OCCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170590 406859214 /nfs/dbraw/zinc/85/92/14/406859214.db2.gz WOMFYXLQOFKQIM-GFCCVEGCSA-N -1 0 307.346 1.787 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H]2CCCO2)cc1OC ZINC000013183641 406860037 /nfs/dbraw/zinc/86/00/37/406860037.db2.gz AGWCQUPBPBZIFK-YPMHNXCESA-N -1 0 323.345 1.515 50 0 DDAARM Cn1cc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2CCc2cccnc2)cn1 ZINC000072275738 406877348 /nfs/dbraw/zinc/87/73/48/406877348.db2.gz UTJJSEVFJARAEC-ZFWWWQNUSA-N -1 0 314.345 1.032 50 0 DDAARM Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)c1 ZINC000022584963 406890790 /nfs/dbraw/zinc/89/07/90/406890790.db2.gz YIEUUQKUWPEFQC-HNNXBMFYSA-N -1 0 319.405 1.333 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000012370435 406842627 /nfs/dbraw/zinc/84/26/27/406842627.db2.gz RKTBSIAAAOXTJP-UHFFFAOYSA-N -1 0 307.350 1.837 50 0 DDAARM CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C)s1 ZINC000036182757 406977475 /nfs/dbraw/zinc/97/74/75/406977475.db2.gz JGOUMNJEZHTQIJ-UHFFFAOYSA-N -1 0 312.376 1.606 50 0 DDAARM O=C1N2CCSC2=N[C@@]1([N-]c1ncccn1)C(F)(F)F ZINC000044921704 407034085 /nfs/dbraw/zinc/03/40/85/407034085.db2.gz JHMFKTDMNHAVOQ-SECBINFHSA-N -1 0 303.269 1.092 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)CCO1 ZINC000049864859 407125043 /nfs/dbraw/zinc/12/50/43/407125043.db2.gz CGQPJQUHFYKWGD-SECBINFHSA-N -1 0 324.383 1.797 50 0 DDAARM Cc1ccc(C)c(OCC(=O)N2CCOC[C@H]2CC(=O)[O-])c1C ZINC000055382838 407202218 /nfs/dbraw/zinc/20/22/18/407202218.db2.gz JLWBHPMIFGHILW-CQSZACIVSA-N -1 0 321.373 1.693 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000095363947 407208782 /nfs/dbraw/zinc/20/87/82/407208782.db2.gz AHIRBCCRSAWPNO-OAHLLOKOSA-N -1 0 313.357 1.868 50 0 DDAARM CC1(C)Oc2cc(S(=O)(=O)[N-]c3ccon3)ccc2NC1=O ZINC000057280381 407214519 /nfs/dbraw/zinc/21/45/19/407214519.db2.gz WMLCFHVLHPYMIR-UHFFFAOYSA-N -1 0 323.330 1.585 50 0 DDAARM COc1cc(C(=O)N[C@@H](C)CC(=O)[O-])ccc1OC(F)F ZINC000095955754 407216706 /nfs/dbraw/zinc/21/67/06/407216706.db2.gz BVHQNJJQADZIEE-ZETCQYMHSA-N -1 0 303.261 1.890 50 0 DDAARM Cc1ccccc1C[C@H](CNC(=O)[C@]1(C)CCCO1)C(=O)[O-] ZINC000095970673 407218539 /nfs/dbraw/zinc/21/85/39/407218539.db2.gz OWOQSXSNOMZUJR-PBHICJAKSA-N -1 0 305.374 1.924 50 0 DDAARM C[C@H](CCc1cccn1C)NC(=O)c1cccc(C(=O)[O-])n1 ZINC000095969775 407218939 /nfs/dbraw/zinc/21/89/39/407218939.db2.gz DOEMPUQPVCPHFD-LLVKDONJSA-N -1 0 301.346 1.869 50 0 DDAARM CCC[C@](C)(NC(=O)c1csc(-c2cnn(C)c2)n1)C(=O)[O-] ZINC000095969835 407218950 /nfs/dbraw/zinc/21/89/50/407218950.db2.gz SOLFFQOFHFYCHY-AWEZNQCLSA-N -1 0 322.390 1.917 50 0 DDAARM Cn1cnc(-c2cccc([N-]S(=O)(=O)c3cnn(C)c3)c2)n1 ZINC000096501469 407273305 /nfs/dbraw/zinc/27/33/05/407273305.db2.gz OKYOKFOZUNOHEJ-UHFFFAOYSA-N -1 0 318.362 1.016 50 0 DDAARM Cc1[nH]n(C)c2nnc(NC(=O)c3cc(F)c([O-])c(F)c3)c1-2 ZINC000097140481 407282038 /nfs/dbraw/zinc/28/20/38/407282038.db2.gz KRLSSPHMQJFLBQ-UHFFFAOYSA-N -1 0 307.260 1.841 50 0 DDAARM Cc1noc(C)c1N(C)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000170653920 407466971 /nfs/dbraw/zinc/46/69/71/407466971.db2.gz GJSZBCAOJUUCOR-UHFFFAOYSA-N -1 0 316.360 1.876 50 0 DDAARM COc1ccc(F)cc1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649745 407463080 /nfs/dbraw/zinc/46/30/80/407463080.db2.gz VZBMHZBOTKOKMB-UHFFFAOYSA-N -1 0 314.294 1.082 50 0 DDAARM O=C(CCc1cc(=O)[n-]o1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 ZINC000223759904 407572996 /nfs/dbraw/zinc/57/29/96/407572996.db2.gz KUKORQJIYPHOBH-OHUAYANFSA-N -1 0 317.345 1.336 50 0 DDAARM C[C@H](CNC(=O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000225431700 407584202 /nfs/dbraw/zinc/58/42/02/407584202.db2.gz FWPSVHVIKCCMBR-YRGRVCCFSA-N -1 0 318.373 1.433 50 0 DDAARM Cc1cccc([C@@H](NC(=O)c2cc(=O)cc(C)o2)C(=O)[O-])c1 ZINC000221244509 407544983 /nfs/dbraw/zinc/54/49/83/407544983.db2.gz ISQSUDQDJNYSIH-CQSZACIVSA-N -1 0 301.298 1.812 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000238079576 407883680 /nfs/dbraw/zinc/88/36/80/407883680.db2.gz IHINQWNLYVQDEF-LBPRGKRZSA-N -1 0 302.330 1.508 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1 ZINC000238123060 407893651 /nfs/dbraw/zinc/89/36/51/407893651.db2.gz ZGIKNYMDVKUWAM-CQSZACIVSA-N -1 0 302.330 1.413 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)COCCOc1ccccc1 ZINC000262673157 407897313 /nfs/dbraw/zinc/89/73/13/407897313.db2.gz QBNPLCFPOKGTPB-AWEZNQCLSA-N -1 0 307.346 1.548 50 0 DDAARM CCCC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000262688862 407901502 /nfs/dbraw/zinc/90/15/02/407901502.db2.gz DJGNOOUCWXPJFV-AGIUHOORSA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])CC1CCN(C(=O)CN2CCCCCCC2=O)CC1 ZINC000262487283 407847963 /nfs/dbraw/zinc/84/79/63/407847963.db2.gz VSGWVXFNDYMBTC-UHFFFAOYSA-N -1 0 310.394 1.492 50 0 DDAARM CC(C)c1nnc(CNC(=O)c2cccc(C(=O)[O-])n2)s1 ZINC000262839472 407952846 /nfs/dbraw/zinc/95/28/46/407952846.db2.gz RXNFTXFYHKKWQY-UHFFFAOYSA-N -1 0 306.347 1.685 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC000262978243 407990715 /nfs/dbraw/zinc/99/07/15/407990715.db2.gz KLKPHBRZGOHDDF-INIZCTEOSA-N -1 0 323.393 1.411 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2nc(-c3ccoc3)no2)C1 ZINC000136121384 408078808 /nfs/dbraw/zinc/07/88/08/408078808.db2.gz PLJBZLFNJBXOMP-JTQLQIEISA-N -1 0 319.317 1.585 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1cnc(-c2ccccc2)n1 ZINC000263395720 408127970 /nfs/dbraw/zinc/12/79/70/408127970.db2.gz FKKWAZCJJJLQAE-ZDUSSCGKSA-N -1 0 314.345 1.411 50 0 DDAARM CC(C)(C)[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000140165240 408177506 /nfs/dbraw/zinc/17/75/06/408177506.db2.gz CVRNXVMJALMUHB-CYBMUJFWSA-N -1 0 304.346 1.800 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2csnc2C)(C(=O)[O-])C1(C)C ZINC000193031106 408685902 /nfs/dbraw/zinc/68/59/02/408685902.db2.gz COTXIEJHYWYJMT-IINYFYTJSA-N -1 0 312.391 1.840 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)CCO1 ZINC000178232540 408790771 /nfs/dbraw/zinc/79/07/71/408790771.db2.gz GREMABQMWLPCSH-ZDUSSCGKSA-N -1 0 320.370 1.524 50 0 DDAARM COc1ccc(-c2ncn3c2C(=O)N(CC(=O)[O-])CC3)cc1 ZINC000169676326 408820003 /nfs/dbraw/zinc/82/00/03/408820003.db2.gz MGZVMBRLRHAMNN-UHFFFAOYSA-N -1 0 301.302 1.099 50 0 DDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000263098261 163914875 /nfs/dbraw/zinc/91/48/75/163914875.db2.gz QXGLDOUPEMWIOH-NWDGAFQWSA-N -1 0 309.366 1.342 50 0 DDAARM Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)o1 ZINC000263471484 163971996 /nfs/dbraw/zinc/97/19/96/163971996.db2.gz HYJWKFUGERKKAJ-SRVKXCTJSA-N -1 0 313.375 1.994 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1nc2ccccc2o1 ZINC000316735162 409858041 /nfs/dbraw/zinc/85/80/41/409858041.db2.gz JVQWHOZDFWXGHE-ISALQUGTSA-N -1 0 302.286 1.153 50 0 DDAARM COc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000299743787 410604921 /nfs/dbraw/zinc/60/49/21/410604921.db2.gz MFPFAKIDTKAJJP-SECBINFHSA-N -1 0 309.318 1.259 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000647744978 423027857 /nfs/dbraw/zinc/02/78/57/423027857.db2.gz NRBHNHMLHKEVOL-QWRGUYRKSA-N -1 0 321.283 1.988 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000136134074 196522153 /nfs/dbraw/zinc/52/21/53/196522153.db2.gz RVRFYNFQGCFEDG-VIFPVBQESA-N -1 0 318.358 1.537 50 0 DDAARM O=c1[n-]c(SCc2nc(CCc3ccccc3)no2)n[nH]1 ZINC000170085214 418517433 /nfs/dbraw/zinc/51/74/33/418517433.db2.gz VUHPEXXJMWNVQT-UHFFFAOYSA-N -1 0 303.347 1.971 50 0 DDAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C3CC3)C2)c1 ZINC000241439956 222212269 /nfs/dbraw/zinc/21/22/69/222212269.db2.gz NNVBGKFRCXTWBH-RDBSUJKOSA-N -1 0 303.362 1.791 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)c1 ZINC000247352720 222228639 /nfs/dbraw/zinc/22/86/39/222228639.db2.gz CMMDOTQSPCAORQ-HAQNSBGRSA-N -1 0 314.345 1.952 50 0 DDAARM Cc1[nH]c(C(=O)N(C)Cc2[nH]nc3c2CCC3)c(C)c1C(=O)[O-] ZINC000426370247 419448577 /nfs/dbraw/zinc/44/85/77/419448577.db2.gz CHBHUBXQQZGPFJ-UHFFFAOYSA-N -1 0 316.361 1.814 50 0 DDAARM Cc1cc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)on1 ZINC000426536561 419503468 /nfs/dbraw/zinc/50/34/68/419503468.db2.gz UQKCWGLHEPZAAD-MRXNPFEDSA-N -1 0 300.314 1.852 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccc3c(c2)NC(=O)CS3)CC1 ZINC000299338466 229058695 /nfs/dbraw/zinc/05/86/95/229058695.db2.gz FYJRYSOBSGXMPG-UHFFFAOYSA-N -1 0 320.370 1.668 50 0 DDAARM CCn1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000299747208 229388193 /nfs/dbraw/zinc/38/81/93/229388193.db2.gz CJDCSJDAAMWOSZ-UHTWSYAYSA-N -1 0 319.361 1.121 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000643848923 423378149 /nfs/dbraw/zinc/37/81/49/423378149.db2.gz PATNWLBONKRUNU-QGZVFWFLSA-N -1 0 319.357 1.256 50 0 DDAARM NC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000649459184 423919455 /nfs/dbraw/zinc/91/94/55/423919455.db2.gz MRQIEJRGLHDGQV-GFCCVEGCSA-N -1 0 305.334 1.048 50 0 DDAARM CCc1nc(C)c(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])s1 ZINC000655599785 424589213 /nfs/dbraw/zinc/58/92/13/424589213.db2.gz YLGHPJOCMQXBPI-LLVKDONJSA-N -1 0 319.386 1.835 50 0 DDAARM CCc1nnsc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000268883744 288657477 /nfs/dbraw/zinc/65/74/77/288657477.db2.gz ACZHQVHZDWHQMX-GFCCVEGCSA-N -1 0 317.370 1.752 50 0 DDAARM C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])N1CCc2ccccc2C1 ZINC000036108171 298039917 /nfs/dbraw/zinc/03/99/17/298039917.db2.gz UDIWVRHHDGOWCO-DOMZBBRYSA-N -1 0 302.374 1.509 50 0 DDAARM O=C([O-])[C@H]1CCCCCC[C@@H]1NS(=O)(=O)N1CCCC1 ZINC000547933292 303561650 /nfs/dbraw/zinc/56/16/50/303561650.db2.gz SEHSQFUMMWGJHC-RYUDHWBXSA-N -1 0 304.412 1.340 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCc2ccco2)N1C1CC1 ZINC000663227982 484753130 /nfs/dbraw/zinc/75/31/30/484753130.db2.gz BZTZEVXHWPGLRD-KGLIPLIRSA-N -1 0 306.362 1.408 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1CCCO[C@@H]1C ZINC000668285597 485077771 /nfs/dbraw/zinc/07/77/71/485077771.db2.gz MQOLRHCUNZHLKH-RISCZKNCSA-N -1 0 321.373 1.867 50 0 DDAARM COc1cccc(Oc2nc(N)[n-]c(=O)c2Br)c1 ZINC000000053270 696005299 /nfs/dbraw/zinc/00/52/99/696005299.db2.gz XXIXIIQGTRMXLE-UHFFFAOYSA-N -1 0 312.123 1.916 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)COc1cccc(C)c1)C(=O)[O-] ZINC000067458949 696361555 /nfs/dbraw/zinc/36/15/55/696361555.db2.gz MMBQPOSRDASDOL-OAHLLOKOSA-N -1 0 317.345 1.656 50 0 DDAARM COc1cccc(C)c1C(=O)N[C@@H](C)c1n[nH]c(CC(=O)[O-])n1 ZINC000952967428 721529090 /nfs/dbraw/zinc/52/90/90/721529090.db2.gz LKTNLJNYOMVCGL-VIFPVBQESA-N -1 0 318.333 1.240 50 0 DDAARM CC(C)C1=NO[C@@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)C1 ZINC000952970230 721529528 /nfs/dbraw/zinc/52/95/28/721529528.db2.gz RYRPMDGBMGVMCI-GFCCVEGCSA-N -1 0 316.321 1.731 50 0 DDAARM FC(F)(F)c1ccc2sc(NCc3nnn[n-]3)nc2c1 ZINC000584907186 771883706 /nfs/dbraw/zinc/88/37/06/771883706.db2.gz HXXHSDHOJCNOOH-UHFFFAOYSA-N -1 0 300.269 2.440 50 0 DDAARM O=S(=O)([N-]c1cccc2nonc21)c1cnn2c1OCCC2 ZINC000585129859 771962578 /nfs/dbraw/zinc/96/25/78/771962578.db2.gz ZWYQYVQNQFUIPH-UHFFFAOYSA-N -1 0 321.318 1.003 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cn1 ZINC000585434490 773683318 /nfs/dbraw/zinc/68/33/18/773683318.db2.gz YUDLEWAULDIGOZ-UHFFFAOYSA-N -1 0 301.274 1.564 50 0 DDAARM CC(C)(C)c1cc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])[nH]n1 ZINC000095502138 185375039 /nfs/dbraw/zinc/37/50/39/185375039.db2.gz BEQUTUQPYMKGHM-LBPRGKRZSA-N -1 0 303.366 1.442 50 0 DDAARM COC[C@H](NC(=O)Cc1c(C)[nH]c2c1c(C)ccc2C)C(=O)[O-] ZINC000095529974 185378844 /nfs/dbraw/zinc/37/88/44/185378844.db2.gz GOOJOUQMOPHBBQ-ZDUSSCGKSA-N -1 0 318.373 1.851 50 0 DDAARM CCc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cnn1C(C)(C)C ZINC000299753223 529476487 /nfs/dbraw/zinc/47/64/87/529476487.db2.gz XIKDTYCDMXPKPG-LBPRGKRZSA-N -1 0 309.366 1.126 50 0 DDAARM COCc1cc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)ncn1 ZINC000263089020 539275967 /nfs/dbraw/zinc/27/59/67/539275967.db2.gz SFZRVQZPQJUGMB-ZUZCIYMTSA-N -1 0 320.349 1.342 50 0 DDAARM CCOCCN(C[C@H](C)C(=O)[O-])C(=O)CCOCC(C)C ZINC000095424519 185361430 /nfs/dbraw/zinc/36/14/30/185361430.db2.gz QKGABIFAVSHENE-ZDUSSCGKSA-N -1 0 303.399 1.635 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000236664306 201953778 /nfs/dbraw/zinc/95/37/78/201953778.db2.gz NYEXVKJGAUTJRM-CQSZACIVSA-N -1 0 310.375 1.321 50 0 DDAARM CCCn1ccnc1CN1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072163586 191063778 /nfs/dbraw/zinc/06/37/78/191063778.db2.gz BEQXNDORPYQBIA-UHFFFAOYSA-N -1 0 317.393 1.523 50 0 DDAARM CSc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])cc1 ZINC000072410638 191154055 /nfs/dbraw/zinc/15/40/55/191154055.db2.gz HXXUHNFMWLSDHR-ZDUSSCGKSA-N -1 0 317.370 1.956 50 0 DDAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1C(N)=O ZINC000066965613 353029427 /nfs/dbraw/zinc/02/94/27/353029427.db2.gz BOETZJOXZAWWJK-NWDGAFQWSA-N -1 0 302.330 1.699 50 0 DDAARM CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000001576010 180874472 /nfs/dbraw/zinc/87/44/72/180874472.db2.gz DSGKPVVFBQQVSE-LBPRGKRZSA-N -1 0 308.334 1.282 50 0 DDAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)OCCc1ccccc1 ZINC000002212112 180915492 /nfs/dbraw/zinc/91/54/92/180915492.db2.gz MDBZPIOJVFHPOL-HNNXBMFYSA-N -1 0 317.341 1.998 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc2n(n1)CCO2 ZINC000585134733 354812186 /nfs/dbraw/zinc/81/21/86/354812186.db2.gz HZVSOSLHVNKRBN-USWWRNFRSA-N -1 0 305.334 1.133 50 0 DDAARM O=C([O-])C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 ZINC000098211120 304042683 /nfs/dbraw/zinc/04/26/83/304042683.db2.gz YDWOOJLEZCVIMA-UHFFFAOYSA-N -1 0 300.362 1.909 50 0 DDAARM COc1ccc2nc(Nc3nc([O-])c(C)c(=O)[nH]3)nc(C)c2c1 ZINC000004867182 181165878 /nfs/dbraw/zinc/16/58/78/181165878.db2.gz JOBIJDQOMIDODX-UHFFFAOYSA-N -1 0 313.317 1.788 50 0 DDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(Br)cc1 ZINC000004995335 181187349 /nfs/dbraw/zinc/18/73/49/181187349.db2.gz HPPVMNBRJXQJIL-UHFFFAOYSA-N -1 0 308.153 1.300 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)s1 ZINC000075609880 191500267 /nfs/dbraw/zinc/50/02/67/191500267.db2.gz GCARDTBKUNHPRS-UHFFFAOYSA-N -1 0 316.335 1.870 50 0 DDAARM C[C@H](O)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005426499 181242481 /nfs/dbraw/zinc/24/24/81/181242481.db2.gz LMFZAWXLAJFKLM-ZUZCIYMTSA-N -1 0 304.346 1.441 50 0 DDAARM NC1=NC(=O)C(CCC[C@H](C(=O)[O-])c2ccccc2)C(=O)N1 ZINC000005588771 181260971 /nfs/dbraw/zinc/26/09/71/181260971.db2.gz IFLUKQQNEDSLRH-JTQLQIEISA-N -1 0 303.318 1.661 50 0 DDAARM CCN1C[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)CC1=O ZINC000236913283 202069119 /nfs/dbraw/zinc/06/91/19/202069119.db2.gz OUZVJCUPQUDZSP-OCCSQVGLSA-N -1 0 318.373 1.495 50 0 DDAARM NC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000005885671 181293040 /nfs/dbraw/zinc/29/30/40/181293040.db2.gz WBASXFZOLUWKCF-UHFFFAOYSA-N -1 0 312.297 1.865 50 0 DDAARM Cc1nc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)n[nH]1 ZINC000237676366 202325489 /nfs/dbraw/zinc/32/54/89/202325489.db2.gz FZHCGYFCBIQCRJ-GFCCVEGCSA-N -1 0 300.318 1.469 50 0 DDAARM Cc1ccc(-c2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)on2)cc1 ZINC000237702780 202332073 /nfs/dbraw/zinc/33/20/73/202332073.db2.gz BJTAXVBSKXTRIB-CQSZACIVSA-N -1 0 316.313 1.576 50 0 DDAARM Cc1nn(C)cc1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000237777467 202352791 /nfs/dbraw/zinc/35/27/91/202352791.db2.gz BCDKOVKHNMZWSX-CYBMUJFWSA-N -1 0 301.346 1.402 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)no1 ZINC000237811059 202360617 /nfs/dbraw/zinc/36/06/17/202360617.db2.gz DZFRSMOSJXVNIU-GFCCVEGCSA-N -1 0 301.302 1.592 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cn(Cc2ccccc2)nn1 ZINC000238046886 202428049 /nfs/dbraw/zinc/42/80/49/202428049.db2.gz XTQHSOFUOFYAMJ-AWEZNQCLSA-N -1 0 314.345 1.406 50 0 DDAARM COc1ccc2c(C)c(CC(=O)N[C@H](C)C(=O)[O-])c(=O)oc2c1 ZINC000005956833 181301061 /nfs/dbraw/zinc/30/10/61/181301061.db2.gz LLEKBVVXGVUUND-SECBINFHSA-N -1 0 319.313 1.242 50 0 DDAARM COc1cc([N-]S(=O)(=O)c2cnn(C)c2)ccc1Cl ZINC000193489385 201061505 /nfs/dbraw/zinc/06/15/05/201061505.db2.gz CBTPLLQLJKUBGF-UHFFFAOYSA-N -1 0 301.755 1.883 50 0 DDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000006730634 181378205 /nfs/dbraw/zinc/37/82/05/181378205.db2.gz NVDPFFGOYWAQBW-KBPBESRZSA-N -1 0 317.389 1.621 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2OC)c[nH]1 ZINC000006779762 181386595 /nfs/dbraw/zinc/38/65/95/181386595.db2.gz DUSRMWGSIWLFID-UHFFFAOYSA-N -1 0 324.358 1.919 50 0 DDAARM O=C([O-])CSCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000006831188 181396779 /nfs/dbraw/zinc/39/67/79/181396779.db2.gz MIRPLBCMKJXDIX-UHFFFAOYSA-N -1 0 310.375 1.280 50 0 DDAARM N=c1[n-]nc(CCNC(=O)c2cscc2C(F)(F)F)o1 ZINC000621964647 365149479 /nfs/dbraw/zinc/14/94/79/365149479.db2.gz MGGGOLICQFGSHU-UHFFFAOYSA-N -1 0 306.269 1.535 50 0 DDAARM CCC[C@@H]1CN(c2ccc(-c3nccn3C)nn2)C[C@H]1C(=O)[O-] ZINC000091444569 193056168 /nfs/dbraw/zinc/05/61/68/193056168.db2.gz DRMCVPXONXCCLO-VXGBXAGGSA-N -1 0 315.377 1.814 50 0 DDAARM Cc1cc(N[C@@H]2C=CS(=O)(=O)C2)nc(-c2ccccc2[O-])n1 ZINC000091551208 193072744 /nfs/dbraw/zinc/07/27/44/193072744.db2.gz CXMGTDKRNNPPLK-LLVKDONJSA-N -1 0 317.370 1.880 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000091872277 193120867 /nfs/dbraw/zinc/12/08/67/193120867.db2.gz CULRFTMZVRPKIJ-INIZCTEOSA-N -1 0 323.393 1.462 50 0 DDAARM COc1ccccc1OCC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000261641555 203085546 /nfs/dbraw/zinc/08/55/46/203085546.db2.gz IRHAWWVZZJHWAG-UHFFFAOYSA-N -1 0 307.346 1.834 50 0 DDAARM Cc1ccc(-n2nc(C(=O)N[C@@H](C)C(=O)[O-])c3c2CCC3)cc1 ZINC000095970437 193466902 /nfs/dbraw/zinc/46/69/02/193466902.db2.gz CJLAMUJDUKCJTL-NSHDSACASA-N -1 0 313.357 1.872 50 0 DDAARM Cc1c(C(=O)NC[C@H](C)C(=O)[O-])cnn1Cc1ccccc1 ZINC000095970592 193467088 /nfs/dbraw/zinc/46/70/88/193467088.db2.gz AQZDQHDGINFIQE-NSHDSACASA-N -1 0 301.346 1.690 50 0 DDAARM COc1ccc([C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)[O-])cc1 ZINC000008700647 181574805 /nfs/dbraw/zinc/57/48/05/181574805.db2.gz MTWXPRLVCZWIQM-RYUDHWBXSA-N -1 0 311.334 1.707 50 0 DDAARM C[C@H](Nc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1)C(=O)[O-] ZINC000009235245 181608910 /nfs/dbraw/zinc/60/89/10/181608910.db2.gz LVBAFVRFSULYKD-VIFPVBQESA-N -1 0 313.317 1.053 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1NC(C)=O ZINC000016978430 182067413 /nfs/dbraw/zinc/06/74/13/182067413.db2.gz GYVHHUZDLATRPR-UHFFFAOYSA-N -1 0 324.362 1.188 50 0 DDAARM CC(C)CN1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000017877412 182087229 /nfs/dbraw/zinc/08/72/29/182087229.db2.gz XWWBLXNVFPCEKW-JTQLQIEISA-N -1 0 308.359 1.655 50 0 DDAARM CCCOc1ccc([C@H]2CC(C(=O)[O-])=NC(=O)N2)cc1OC ZINC000019942587 182168845 /nfs/dbraw/zinc/16/88/45/182168845.db2.gz WSAZCNHIMPHMPI-SNVBAGLBSA-N -1 0 306.318 1.806 50 0 DDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000020200447 182197016 /nfs/dbraw/zinc/19/70/16/182197016.db2.gz UJZAKUMRSOPVRH-LLVKDONJSA-N -1 0 317.794 1.966 50 0 DDAARM Cc1cnc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cn1 ZINC000022700179 182330920 /nfs/dbraw/zinc/33/09/20/182330920.db2.gz SQIZCBLHHXBLFF-UHFFFAOYSA-N -1 0 315.358 1.355 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000005428604 304204662 /nfs/dbraw/zinc/20/46/62/304204662.db2.gz ASKYUNKQJIMTOK-ZJUUUORDSA-N -1 0 303.236 1.922 50 0 DDAARM COc1cccc(CCC(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000043509862 183368630 /nfs/dbraw/zinc/36/86/30/183368630.db2.gz JPTFENHCIUWUIK-OAHLLOKOSA-N -1 0 309.387 1.704 50 0 DDAARM C[C@@H](CNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000268905737 207074142 /nfs/dbraw/zinc/07/41/42/207074142.db2.gz MJPCXNRSDSPYJH-SMDDNHRTSA-N -1 0 307.346 1.695 50 0 DDAARM CCC[C@@H](CC(=O)[O-])NC(=O)CCNC(=O)c1ccccc1F ZINC000055242372 183972914 /nfs/dbraw/zinc/97/29/14/183972914.db2.gz UTRMFLNOTHLEIR-NSHDSACASA-N -1 0 324.352 1.705 50 0 DDAARM CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000057842274 184056569 /nfs/dbraw/zinc/05/65/69/184056569.db2.gz NFSIVTXCCHAVQO-INIZCTEOSA-N -1 0 304.346 1.836 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000269046345 207195225 /nfs/dbraw/zinc/19/52/25/207195225.db2.gz STSMJOHEONJNCR-OIOXUXFSSA-N -1 0 307.321 1.931 50 0 DDAARM CC(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])C2CC2)c1 ZINC000065489260 184353170 /nfs/dbraw/zinc/35/31/70/184353170.db2.gz QYYYMXUFGFHHMS-LBPRGKRZSA-N -1 0 310.737 1.891 50 0 DDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000072014928 184921437 /nfs/dbraw/zinc/92/14/37/184921437.db2.gz WTPLHTWZJKGBMG-UHFFFAOYSA-N -1 0 316.342 1.463 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000328593441 533346831 /nfs/dbraw/zinc/34/68/31/533346831.db2.gz NBHCIKLDHZWNFQ-PMDBQALLSA-N -1 0 316.357 1.758 50 0 DDAARM COCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1CC(=O)[O-] ZINC000299285166 292178394 /nfs/dbraw/zinc/17/83/94/292178394.db2.gz ZCUFGIAKVBZONZ-GFCCVEGCSA-N -1 0 323.345 1.251 50 0 DDAARM COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCC2 ZINC000000084410 406621196 /nfs/dbraw/zinc/62/11/96/406621196.db2.gz PHSWQJBAHRHEHZ-VOTSOKGWSA-N -1 0 309.343 1.993 50 0 DDAARM COc1c2c(cc(CCN(C)C(C)=O)c1/C=C/C(=O)[O-])OCO2 ZINC000002096612 406681539 /nfs/dbraw/zinc/68/15/39/406681539.db2.gz KMRVVQUINPTIPM-SNAWJCMRSA-N -1 0 321.329 1.543 50 0 biogenic DDAARM CCn1ccc(C(=O)[N-]n2c(C)nc3sc(C)cc3c2=O)n1 ZINC000002779058 406698895 /nfs/dbraw/zinc/69/88/95/406698895.db2.gz VJGYCRUQPSNXJI-UHFFFAOYSA-N -1 0 317.374 1.675 50 0 DDAARM COc1ccc(NS(=O)(=O)c2ccc(N)c(C(=O)[O-])c2)cc1 ZINC000003239681 406713875 /nfs/dbraw/zinc/71/38/75/406713875.db2.gz KDCLEXOJWZLARV-UHFFFAOYSA-N -1 0 322.342 1.776 50 0 DDAARM CCOc1ccc(CCN2C[C@@H](C(=O)[O-])CC2=O)cc1OCC ZINC000004237764 406724157 /nfs/dbraw/zinc/72/41/57/406724157.db2.gz FURMKQFTMVIACL-ZDUSSCGKSA-N -1 0 321.373 1.960 50 0 DDAARM O=C(Cn1[n-]c(=O)ccc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008734825 406794946 /nfs/dbraw/zinc/79/49/46/406794946.db2.gz XPQCHYOBSXOWBB-UHFFFAOYSA-N -1 0 313.235 1.194 50 0 DDAARM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cn1 ZINC000012631468 406849617 /nfs/dbraw/zinc/84/96/17/406849617.db2.gz DVLMREKGDXSTCG-UHFFFAOYSA-N -1 0 322.342 1.898 50 0 DDAARM CN(C)C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000013253523 406859744 /nfs/dbraw/zinc/85/97/44/406859744.db2.gz SKESNPVHHXTKDA-UONOGXRCSA-N -1 0 316.357 1.994 50 0 DDAARM CCOc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1C ZINC000072280855 406878965 /nfs/dbraw/zinc/87/89/65/406878965.db2.gz KQYVPJHIMSAWNN-UHFFFAOYSA-N -1 0 324.362 1.168 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)on2)cc1 ZINC000075568102 406934885 /nfs/dbraw/zinc/93/48/85/406934885.db2.gz MURISEWJCHJRJL-LBPRGKRZSA-N -1 0 304.302 1.937 50 0 DDAARM O=C([O-])CCc1nnc2ccc(N3CCc4ccccc4C3)nn21 ZINC000032103421 406946302 /nfs/dbraw/zinc/94/63/02/406946302.db2.gz HXYNQWLFHNFNJN-UHFFFAOYSA-N -1 0 323.356 1.704 50 0 DDAARM Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)[O-])cc2s1 ZINC000032917515 406956781 /nfs/dbraw/zinc/95/67/81/406956781.db2.gz QVDCKOOLYADNET-UHFFFAOYSA-N -1 0 300.361 1.310 50 0 DDAARM O=C([O-])C1(NC(=O)Cc2cn3ccsc3n2)CCCCC1 ZINC000037419313 406988623 /nfs/dbraw/zinc/98/86/23/406988623.db2.gz XXALZHNFPOFGFK-UHFFFAOYSA-N -1 0 307.375 1.842 50 0 DDAARM CCN([C@H](C)COC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037837079 406993865 /nfs/dbraw/zinc/99/38/65/406993865.db2.gz RDZRRCQNBWGQJD-SNVBAGLBSA-N -1 0 301.364 1.430 50 0 DDAARM NS(=O)(=O)c1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000048603542 407101815 /nfs/dbraw/zinc/10/18/15/407101815.db2.gz ABTPCOBYSCNQSI-UHFFFAOYSA-N -1 0 307.356 1.299 50 0 DDAARM CCCn1nc(C(=O)Nc2ccc(C(=O)[O-])cc2O)ccc1=O ZINC000095351899 407207907 /nfs/dbraw/zinc/20/79/07/407207907.db2.gz CTWLFCIAFVVSTP-UHFFFAOYSA-N -1 0 317.301 1.309 50 0 DDAARM Cc1cc(S(=O)(=O)N2CCO[C@@H](C)C2)cc(C(=O)[O-])c1C ZINC000095940682 407214879 /nfs/dbraw/zinc/21/48/79/407214879.db2.gz GIZXZBZDRFLIJU-JTQLQIEISA-N -1 0 313.375 1.411 50 0 DDAARM COc1ccc(Br)cc1[C@@H](NC(N)=O)C(=O)[O-] ZINC000096102792 407236951 /nfs/dbraw/zinc/23/69/51/407236951.db2.gz HDBGEKSXHBGQNQ-MRVPVSSYSA-N -1 0 303.112 1.252 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2SCCc3sccc32)n1 ZINC000123030393 407317006 /nfs/dbraw/zinc/31/70/06/407317006.db2.gz CBJYCOQZZCTMSS-LBPRGKRZSA-N -1 0 323.399 1.998 50 0 DDAARM CCC[C@@H]1CN(C(=O)CC2=CSC3=NCCN23)C[C@H]1C(=O)[O-] ZINC000102703737 407326319 /nfs/dbraw/zinc/32/63/19/407326319.db2.gz KYYYHYKABMLDNE-ZYHUDNBSSA-N -1 0 323.418 1.596 50 0 DDAARM O=C([O-])Cn1nc(C2CCOCC2)nc1-c1n[nH]c2c1CCC2 ZINC000097551311 407299029 /nfs/dbraw/zinc/29/90/29/407299029.db2.gz PIWGACRGRDZKIT-UHFFFAOYSA-N -1 0 317.349 1.136 50 0 DDAARM CC(=O)c1cc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cs1 ZINC000097681968 407301808 /nfs/dbraw/zinc/30/18/08/407301808.db2.gz LMWQMSNZNAVCSR-LBPRGKRZSA-N -1 0 305.359 1.685 50 0 DDAARM COc1ccc(-c2cc(=O)n3nc(SC)[n-]c3n2)cc1OC ZINC000100133369 407307272 /nfs/dbraw/zinc/30/72/72/407307272.db2.gz CVQLFFUMHVUNRX-UHFFFAOYSA-N -1 0 318.358 1.824 50 0 DDAARM COc1cccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c1OC ZINC000100647403 407308238 /nfs/dbraw/zinc/30/82/38/407308238.db2.gz TZEIFNMYGLSEMU-JTQLQIEISA-N -1 0 302.290 1.279 50 0 DDAARM CCC[C@H](NC(=O)c1ccn(-c2ccccc2F)n1)C(=O)[O-] ZINC000195551778 407463966 /nfs/dbraw/zinc/46/39/66/407463966.db2.gz AKTUFVOJXKMCNH-LBPRGKRZSA-N -1 0 305.309 1.995 50 0 DDAARM CNC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000254949160 407470304 /nfs/dbraw/zinc/47/03/04/407470304.db2.gz LFULUJFLHVPBGN-XURPKSDJSA-N -1 0 302.330 1.135 50 0 DDAARM O=C(c1cc(=O)[n-]o1)N1CCCC[C@H]1CCc1ccccn1 ZINC000216322186 407496118 /nfs/dbraw/zinc/49/61/18/407496118.db2.gz OFUQWLJNPRHCSM-ZDUSSCGKSA-N -1 0 301.346 1.990 50 0 DDAARM CCC[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)C1CCCC1 ZINC000170592169 407444566 /nfs/dbraw/zinc/44/45/66/407444566.db2.gz BXUAJSHFIDIJLH-KBPBESRZSA-N -1 0 324.421 1.927 50 0 DDAARM CCCc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)OC)cc1 ZINC000170619547 407456552 /nfs/dbraw/zinc/45/65/52/407456552.db2.gz IIWYULFOIYVXJC-SNVBAGLBSA-N -1 0 313.375 1.260 50 0 DDAARM O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCOC1 ZINC000225487039 407589779 /nfs/dbraw/zinc/58/97/79/407589779.db2.gz MIKGEHKFZGUIAG-JSGCOSHPSA-N -1 0 304.346 1.787 50 0 DDAARM CC(C)C(=O)NCCN(C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000128373266 407529143 /nfs/dbraw/zinc/52/91/43/407529143.db2.gz OIFOZYJNZHYFGS-UHFFFAOYSA-N -1 0 321.402 1.961 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CCO1 ZINC000262131139 407747413 /nfs/dbraw/zinc/74/74/13/407747413.db2.gz QQYXBPAOVXYYTI-LBPRGKRZSA-N -1 0 319.292 1.141 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000262449880 407836095 /nfs/dbraw/zinc/83/60/95/407836095.db2.gz ZJJMRJIAFODBBA-SECBINFHSA-N -1 0 317.338 1.320 50 0 DDAARM C[C@@H](CN(C)C(=O)c1ccc2ncsc2c1)c1nnn[n-]1 ZINC000187270398 407838178 /nfs/dbraw/zinc/83/81/78/407838178.db2.gz SMCJZTRWYYTMCT-QMMMGPOBSA-N -1 0 302.363 1.685 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CCCC1 ZINC000237958053 407854995 /nfs/dbraw/zinc/85/49/95/407854995.db2.gz PKMBOKXSZSIVSM-LLVKDONJSA-N -1 0 320.345 1.142 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000238066807 407880654 /nfs/dbraw/zinc/88/06/54/407880654.db2.gz TZZGIRYJAUINSC-NSHDSACASA-N -1 0 301.701 1.934 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000238078716 407883409 /nfs/dbraw/zinc/88/34/09/407883409.db2.gz CUPICPWWTZMMLZ-HNNXBMFYSA-N -1 0 313.357 1.868 50 0 DDAARM CCn1ccc2cc(CN3CCNC(=O)[C@H]3CC(=O)[O-])ccc21 ZINC000243892585 407921244 /nfs/dbraw/zinc/92/12/44/407921244.db2.gz AJHOBLYOZYJUGE-OAHLLOKOSA-N -1 0 315.373 1.436 50 0 DDAARM Cn1cccc1C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263133831 408034211 /nfs/dbraw/zinc/03/42/11/408034211.db2.gz SYUYRCMTGWAFTK-CQSZACIVSA-N -1 0 300.314 1.516 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C)c(OC)c(C)c2)C1 ZINC000263166411 408045507 /nfs/dbraw/zinc/04/55/07/408045507.db2.gz YIKIUQNFYNCYPR-KRWDZBQOSA-N -1 0 321.373 1.875 50 0 DDAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000318932146 409885214 /nfs/dbraw/zinc/88/52/14/409885214.db2.gz PBIBWEIWFVTZLV-MFKMUULPSA-N -1 0 305.330 1.586 50 0 DDAARM O=C([O-])C[C@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000299799758 410638137 /nfs/dbraw/zinc/63/81/37/410638137.db2.gz ZWQLBYVGSWNJRL-SFHVURJKSA-N -1 0 324.336 1.753 50 0 DDAARM CCn1ncc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C(F)(F)F ZINC000136125874 196521233 /nfs/dbraw/zinc/52/12/33/196521233.db2.gz QAQPQASMPOTLEK-QMMMGPOBSA-N -1 0 319.283 1.859 50 0 DDAARM O=C(Cc1cc2ccccc2[nH]c1=O)N=c1[n-]nc2ccccn21 ZINC000047090536 418452314 /nfs/dbraw/zinc/45/23/14/418452314.db2.gz PFPJQHIXMNJUNR-UHFFFAOYSA-N -1 0 319.324 1.174 50 0 DDAARM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000112158638 418501289 /nfs/dbraw/zinc/50/12/89/418501289.db2.gz SODHGYYQCIEIRT-QMMMGPOBSA-N -1 0 318.782 1.355 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000119571894 418502816 /nfs/dbraw/zinc/50/28/16/418502816.db2.gz LHUJEUCEQLUDKK-CZUORRHYSA-N -1 0 304.346 1.939 50 0 DDAARM C[C@@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@@H](C(=O)[O-])CC1=O ZINC000048265696 418468015 /nfs/dbraw/zinc/46/80/15/418468015.db2.gz BQYUCPIHNCPPQJ-CABZTGNLSA-N -1 0 302.330 1.565 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCn3nc(C)cc3C2)c1 ZINC000426465452 419475335 /nfs/dbraw/zinc/47/53/35/419475335.db2.gz MWMUNOZWYZZRLW-UHFFFAOYSA-N -1 0 315.329 1.554 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@]1(c2cccs2)CC1(C)C ZINC000426734512 419543985 /nfs/dbraw/zinc/54/39/85/419543985.db2.gz NPTOZQXXQFLINP-HNNXBMFYSA-N -1 0 311.403 1.975 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000299746840 229390082 /nfs/dbraw/zinc/39/00/82/229390082.db2.gz BHMVEUVZDUGWFB-ZNMIVQPWSA-N -1 0 321.348 1.818 50 0 DDAARM O=C([O-])CCN(C(=O)c1ccc2c(c1)OCO2)C1CCOCC1 ZINC000299753669 229397484 /nfs/dbraw/zinc/39/74/84/229397484.db2.gz YYDNCUPVQCBQBH-UHFFFAOYSA-N -1 0 321.329 1.511 50 0 DDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(C(C)(C)C)on1 ZINC000643852246 423379452 /nfs/dbraw/zinc/37/94/52/423379452.db2.gz YQOGEHDSWZDJDS-HNNXBMFYSA-N -1 0 310.350 1.678 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2Cn2cncn2)c1 ZINC000647143001 423785021 /nfs/dbraw/zinc/78/50/21/423785021.db2.gz ZRAFHERXCLRMAS-CYBMUJFWSA-N -1 0 300.318 1.281 50 0 DDAARM COc1c(C)cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C ZINC000263244171 294889629 /nfs/dbraw/zinc/88/96/29/294889629.db2.gz CQIXRHKGHDTXIG-ZDUSSCGKSA-N -1 0 307.346 1.628 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C\c2ccc3c(c2)CCO3)CCO1 ZINC000390354840 307293723 /nfs/dbraw/zinc/29/37/23/307293723.db2.gz MSOFPLWCXXVPKY-CTGSTSKSSA-N -1 0 317.341 1.337 50 0 DDAARM NC(=O)C[C@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000073960485 483946196 /nfs/dbraw/zinc/94/61/96/483946196.db2.gz DAMWHPGFWMEFKM-JTQLQIEISA-N -1 0 305.359 1.874 50 0 DDAARM C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000668282180 485075222 /nfs/dbraw/zinc/07/52/22/485075222.db2.gz MHHJYDGZSXPJDJ-WFASDCNBSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2CCOc3ccccc32)CCO1 ZINC000299752521 534504063 /nfs/dbraw/zinc/50/40/63/534504063.db2.gz ULMPHDCORAPOLN-CHWSQXEVSA-N -1 0 319.357 1.645 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000299749022 534525010 /nfs/dbraw/zinc/52/50/10/534525010.db2.gz IXOZNIGPVOBVKD-KGLIPLIRSA-N -1 0 305.330 1.003 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc(-n2cccn2)c(F)c1)C1CC1 ZINC000238089308 527604798 /nfs/dbraw/zinc/60/47/98/527604798.db2.gz GLNKKRRPLJOURJ-UHFFFAOYSA-N -1 0 303.293 1.701 50 0 DDAARM CC(C)Oc1cccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000328595461 528211938 /nfs/dbraw/zinc/21/19/38/528211938.db2.gz VPMZEECOAVTICN-LQYUOIDQSA-N -1 0 319.357 1.799 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCCn2cccn2)C1 ZINC000219571446 771932425 /nfs/dbraw/zinc/93/24/25/771932425.db2.gz HIYPZKUPYAFGRO-MRXNPFEDSA-N -1 0 323.393 1.393 50 0 DDAARM CSc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ncn1 ZINC000585129732 771961937 /nfs/dbraw/zinc/96/19/37/771961937.db2.gz UGMWCTBDECBYCG-UHFFFAOYSA-N -1 0 313.408 1.777 50 0 DDAARM CCn1nc(C)c([N-]S(=O)(=O)c2n[nH]c3ncccc32)c1C ZINC000952883534 775643889 /nfs/dbraw/zinc/64/38/89/775643889.db2.gz OYKJDPLHGHKUFN-UHFFFAOYSA-N -1 0 320.378 1.592 50 0 DDAARM O=C([O-])C[C@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000262987162 539275946 /nfs/dbraw/zinc/27/59/46/539275946.db2.gz PWJVLUCZICLCBV-GFCCVEGCSA-N -1 0 302.330 1.108 50 0 DDAARM C[C@@](NC(=O)[C@@H]1CCn2ccnc2C1)(C(=O)[O-])c1ccccc1 ZINC000623177904 365700287 /nfs/dbraw/zinc/70/02/87/365700287.db2.gz VGVVTKDWPOOMPK-PXAZEXFGSA-N -1 0 313.357 1.562 50 0 DDAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(F)(F)F)s1 ZINC000092436339 185317991 /nfs/dbraw/zinc/31/79/91/185317991.db2.gz LAEYCELRDPEQBM-UHFFFAOYSA-N -1 0 317.310 1.694 50 0 DDAARM CN(C(=O)Cn1cc(C(=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000095471805 185372636 /nfs/dbraw/zinc/37/26/36/185372636.db2.gz VFYVHAJHGRTNBD-UHFFFAOYSA-N -1 0 320.732 1.863 50 0 DDAARM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(F)c2)n(C)n1 ZINC000097036637 185401001 /nfs/dbraw/zinc/40/10/01/185401001.db2.gz YCWZXUSCXBTIDP-LBPRGKRZSA-N -1 0 309.272 1.562 50 0 DDAARM Cc1noc(C)c1C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072140266 191047947 /nfs/dbraw/zinc/04/79/47/191047947.db2.gz YXPOAGGRZQPPEL-UHFFFAOYSA-N -1 0 318.333 1.161 50 0 DDAARM O=C([O-])C1(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000181884014 186214708 /nfs/dbraw/zinc/21/47/08/186214708.db2.gz YJERTWYKEQDEAA-UHFFFAOYSA-N -1 0 304.224 1.826 50 0 DDAARM C[C@H](CNC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000237503127 186298427 /nfs/dbraw/zinc/29/84/27/186298427.db2.gz IMBRDUAYCMNGAF-LLVKDONJSA-N -1 0 304.346 1.260 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(NCCCn3ccnc3)n2)c1 ZINC000072433380 191165211 /nfs/dbraw/zinc/16/52/11/191165211.db2.gz QNDFXLPBKVKNQD-UHFFFAOYSA-N -1 0 324.344 1.936 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(NC[C@@H]3CCCO3)n2)c1 ZINC000072462913 191172307 /nfs/dbraw/zinc/17/23/07/191172307.db2.gz HREHQMNMPOJPNN-NSHDSACASA-N -1 0 300.318 1.828 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000003374982 181012844 /nfs/dbraw/zinc/01/28/44/181012844.db2.gz ZZZSJGQAGWIFLN-UHFFFAOYSA-N -1 0 308.153 1.398 50 0 DDAARM CCOCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000003765090 181045274 /nfs/dbraw/zinc/04/52/74/181045274.db2.gz MZUZUVFWYAMECF-UHFFFAOYSA-N -1 0 300.380 1.410 50 0 DDAARM CC(=O)N1CCC2(CC1)CC(=O)c1cc(C(=O)[O-])ccc1O2 ZINC000144778827 354155143 /nfs/dbraw/zinc/15/51/43/354155143.db2.gz VLXSEFPEWAHFBL-UHFFFAOYSA-N -1 0 303.314 1.731 50 0 DDAARM C[C@H](CN(C)C(=O)[C@H]1Oc2ccccc2[C@H]1C)c1nnn[n-]1 ZINC000156527856 354219511 /nfs/dbraw/zinc/21/95/11/354219511.db2.gz ITSDYFDKZXTEFM-BREBYQMCSA-N -1 0 301.350 1.326 50 0 DDAARM CCOc1cc(CO)c(Br)cc1OCC(=O)[O-] ZINC000004364946 181102792 /nfs/dbraw/zinc/10/27/92/181102792.db2.gz HXTJKFGWUCMBNE-UHFFFAOYSA-N -1 0 305.124 1.804 50 0 DDAARM CCOCCc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000004384597 181104973 /nfs/dbraw/zinc/10/49/73/181104973.db2.gz UWEUOPVRMCNXEN-UHFFFAOYSA-N -1 0 313.404 1.918 50 0 DDAARM CN(CC(=O)N1CCCC[C@@]1(C)C(=O)[O-])Cc1cccnc1 ZINC000252488262 354383221 /nfs/dbraw/zinc/38/32/21/354383221.db2.gz IOHHCSVOOPUUAW-INIZCTEOSA-N -1 0 305.378 1.369 50 0 DDAARM CC[C@H](CNC(=O)NCc1n[nH]c(=O)[n-]1)Cc1ccccc1 ZINC000584898905 354798987 /nfs/dbraw/zinc/79/89/87/354798987.db2.gz NBSDPKVVGHGMEB-NSHDSACASA-N -1 0 303.366 1.578 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(c2nnc(Cc3ccccc3)s2)C1 ZINC000585122778 354810065 /nfs/dbraw/zinc/81/00/65/354810065.db2.gz FYONUBHMNXWMLH-JTQLQIEISA-N -1 0 303.343 1.566 50 0 DDAARM CCc1nc(=N[C@H](C)[C@H](C)C(=O)Nc2ncccc2O)s[n-]1 ZINC000585142485 354815513 /nfs/dbraw/zinc/81/55/13/354815513.db2.gz XDMQFAFLGKMEAU-DTWKUNHWSA-N -1 0 321.406 1.698 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1OC ZINC000004942690 181176775 /nfs/dbraw/zinc/17/67/75/181176775.db2.gz VJWKNAQDLGZJSW-JTQLQIEISA-N -1 0 302.290 1.279 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(C(=O)[O-])co1 ZINC000183799915 199644390 /nfs/dbraw/zinc/64/43/90/199644390.db2.gz NJBVDVWNTLGZDF-QMMMGPOBSA-N -1 0 305.334 1.689 50 0 DDAARM O=C([O-])CCN(C(=O)[C@H]1Cc2ccccc2O1)C1CCOCC1 ZINC000299747973 304052107 /nfs/dbraw/zinc/05/21/07/304052107.db2.gz FQDOUWMQCZRMFL-OAHLLOKOSA-N -1 0 319.357 1.472 50 0 DDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000408513230 304052422 /nfs/dbraw/zinc/05/24/22/304052422.db2.gz BSKGDFDNOQVRCN-UKRRQHHQSA-N -1 0 319.357 1.472 50 0 DDAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237325158 202231026 /nfs/dbraw/zinc/23/10/26/202231026.db2.gz JDDHCDBSZRSPDW-SMDDNHRTSA-N -1 0 309.337 1.706 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)n1 ZINC000122822824 304091271 /nfs/dbraw/zinc/09/12/71/304091271.db2.gz FIKZYGHWUMWGQJ-DTWKUNHWSA-N -1 0 321.283 1.988 50 0 DDAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CCOC1 ZINC000238148680 202447120 /nfs/dbraw/zinc/44/71/20/202447120.db2.gz FTQHIPGHZMMSAE-NSHDSACASA-N -1 0 313.300 1.805 50 0 DDAARM CO[C@]1(C)CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000621540156 364905857 /nfs/dbraw/zinc/90/58/57/364905857.db2.gz MIHSJLWNAZFRSN-MRXNPFEDSA-N -1 0 307.346 1.791 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ccsc2C(=O)OC)cn1 ZINC000006706487 181375226 /nfs/dbraw/zinc/37/52/26/181375226.db2.gz VWUZIAHFBKNYKK-UHFFFAOYSA-N -1 0 315.376 1.552 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CCS3)C1 ZINC000261871462 304122660 /nfs/dbraw/zinc/12/26/60/304122660.db2.gz QUIKFPWIHDVQRW-SNVBAGLBSA-N -1 0 320.370 1.668 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(c2cc(COC)ncn2)C1 ZINC000091412117 193053225 /nfs/dbraw/zinc/05/32/25/193053225.db2.gz IRLPURHSODIUCQ-OAHLLOKOSA-N -1 0 309.366 1.331 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COC[C@H]1CCCO1 ZINC000299749591 304151918 /nfs/dbraw/zinc/15/19/18/304151918.db2.gz KXUYCBFKGCFZMK-CABCVRRESA-N -1 0 319.357 1.220 50 0 DDAARM Cc1c([N-]S(=O)(=O)c2cccs2)cccc1-n1cnnn1 ZINC000016100883 182034416 /nfs/dbraw/zinc/03/44/16/182034416.db2.gz OBYVWQPWXZFPLZ-UHFFFAOYSA-N -1 0 321.387 1.833 50 0 DDAARM CCn1ncc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1C ZINC000017031719 182070135 /nfs/dbraw/zinc/07/01/35/182070135.db2.gz LUDXPTVPZFFNBS-UHFFFAOYSA-N -1 0 308.363 1.111 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000020180578 182194644 /nfs/dbraw/zinc/19/46/44/182194644.db2.gz MGCSYGYECWCREF-UHFFFAOYSA-N -1 0 300.717 1.322 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000020120034 182188891 /nfs/dbraw/zinc/18/88/91/182188891.db2.gz MTSNKHFTMILZHK-STQMWFEESA-N -1 0 304.346 1.876 50 0 DDAARM Cc1ccc(-c2cnc(CCC(=O)[N-]S(C)(=O)=O)o2)cc1C ZINC000040543958 183099079 /nfs/dbraw/zinc/09/90/79/183099079.db2.gz WECHVBAITLVOKL-UHFFFAOYSA-N -1 0 322.386 1.967 50 0 DDAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1 ZINC000040555291 183101781 /nfs/dbraw/zinc/10/17/81/183101781.db2.gz DGCRNVFTBRTPNJ-UHFFFAOYSA-N -1 0 306.343 1.600 50 0 DDAARM COc1ccc(CC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1F ZINC000043508880 183368225 /nfs/dbraw/zinc/36/82/25/183368225.db2.gz BUYBIFOPVRBZCQ-CQSZACIVSA-N -1 0 313.350 1.453 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(Cl)c(Cl)c2)CCO1 ZINC000043702517 183382049 /nfs/dbraw/zinc/38/20/49/183382049.db2.gz SOBNTSFTZNENHA-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM COc1ccsc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000299750804 533091893 /nfs/dbraw/zinc/09/18/93/533091893.db2.gz OKZBSZNLKPOQQF-JTQLQIEISA-N -1 0 313.375 1.853 50 0 DDAARM COc1cc(C=C2SC(=O)NC2=O)ccc1OCC(=O)[O-] ZINC000019619954 257213360 /nfs/dbraw/zinc/21/33/60/257213360.db2.gz IPFVZGXFAOTXQF-BJMVGYQFSA-N -1 0 309.299 1.483 50 0 DDAARM CCN(CC(=O)[O-])C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000236980134 257239378 /nfs/dbraw/zinc/23/93/78/257239378.db2.gz ZCCZWRHGQRCYSS-UHFFFAOYSA-N -1 0 304.346 1.750 50 0 DDAARM Cc1cc2nc(CN(C)Cc3nncn3C(C)C)cc(=O)n2[n-]1 ZINC000334159665 257261694 /nfs/dbraw/zinc/26/16/94/257261694.db2.gz CFFCVPVXACJGBQ-UHFFFAOYSA-N -1 0 315.381 1.135 50 0 DDAARM O=C([O-])CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000152508 134429617 /nfs/dbraw/zinc/42/96/17/134429617.db2.gz QTPBEOVVURPKLE-UHFFFAOYSA-N -1 0 312.366 1.292 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnn(C)c2)C1 ZINC000091973785 292384373 /nfs/dbraw/zinc/38/43/73/292384373.db2.gz XETQLRQRXROXPW-OAHLLOKOSA-N -1 0 309.366 1.154 50 0 DDAARM O=C1CCCN1CC[P@@](=O)([O-])CN1CCCCCC1=O ZINC000001448289 406668546 /nfs/dbraw/zinc/66/85/46/406668546.db2.gz MBRZWIDTXLNTDG-UHFFFAOYSA-N -1 0 302.311 1.239 50 0 DDAARM O=C([O-])CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001795952 406677960 /nfs/dbraw/zinc/67/79/60/406677960.db2.gz YMRXWPCWJDWPCO-UHFFFAOYSA-N -1 0 311.281 1.849 50 0 DDAARM CC(C)[C@H](NC(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002516169 406689405 /nfs/dbraw/zinc/68/94/05/406689405.db2.gz XFMVOOGGOCFBNM-AWEZNQCLSA-N -1 0 322.361 1.528 50 0 DDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005817486 406735656 /nfs/dbraw/zinc/73/56/56/406735656.db2.gz FGLAXFKDGYRSKC-BUHFOSPRSA-N -1 0 313.357 1.994 50 0 DDAARM CC1(C)[C@@]2(C(=O)N3CCC(C(=O)[O-])CC3)CC[C@]1(C)C(=O)O2 ZINC000006764384 406739425 /nfs/dbraw/zinc/73/94/25/406739425.db2.gz MMJKXLMXSQEHQX-CVEARBPZSA-N -1 0 309.362 1.432 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)C1CCOCC1 ZINC000069594099 406740595 /nfs/dbraw/zinc/74/05/95/406740595.db2.gz GFTDGTDTIQFTGB-UHFFFAOYSA-N -1 0 320.370 1.466 50 0 DDAARM CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000002983232 406708818 /nfs/dbraw/zinc/70/88/18/406708818.db2.gz XFTSMQGDJZQTIB-GJZGRUSLSA-N -1 0 320.389 1.349 50 0 DDAARM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000069812174 406776988 /nfs/dbraw/zinc/77/69/88/406776988.db2.gz ZQOQBUAOEKTWBG-NSHDSACASA-N -1 0 324.402 1.225 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1 ZINC000008392068 406786341 /nfs/dbraw/zinc/78/63/41/406786341.db2.gz JVCCIQYIVURQNV-UHFFFAOYSA-N -1 0 316.313 1.414 50 0 DDAARM Cc1cc(=O)n2nc(NC(=O)Cc3ccc(Cl)cc3)[n-]c2n1 ZINC000009202604 406805305 /nfs/dbraw/zinc/80/53/05/406805305.db2.gz AKKBMHGLDGLOEG-UHFFFAOYSA-N -1 0 317.736 1.973 50 0 DDAARM CC[C@@H](C(=O)[O-])[S@](=O)Cc1nnnn1-c1c(C)cccc1C ZINC000170602783 286747605 /nfs/dbraw/zinc/74/76/05/286747605.db2.gz UICMFYVOZGXFAB-KPWVOAKYSA-N -1 0 322.390 1.391 50 0 DDAARM Cn1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)OCCO2 ZINC000009668582 406812895 /nfs/dbraw/zinc/81/28/95/406812895.db2.gz MSBJDHULFHAQAQ-UHFFFAOYSA-N -1 0 307.331 1.430 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)c(OC)c1 ZINC000011923754 406832953 /nfs/dbraw/zinc/83/29/53/406832953.db2.gz UAFQMXPMUABPLO-UHFFFAOYSA-N -1 0 311.363 1.547 50 0 DDAARM Cc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n(-c2ccccn2)n1 ZINC000071281494 406836369 /nfs/dbraw/zinc/83/63/69/406836369.db2.gz MDIOIPVYVXCQTM-CHWSQXEVSA-N -1 0 314.345 1.871 50 0 DDAARM CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071287110 406837997 /nfs/dbraw/zinc/83/79/97/406837997.db2.gz QWUIFOKBXKBJLT-RYUDHWBXSA-N -1 0 320.345 1.350 50 0 DDAARM CCOc1ccccc1OCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000071831250 406849403 /nfs/dbraw/zinc/84/94/03/406849403.db2.gz PTWZFQKDRQNNHG-GFCCVEGCSA-N -1 0 307.346 1.930 50 0 DDAARM COc1ccccc1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013076372 406857937 /nfs/dbraw/zinc/85/79/37/406857937.db2.gz NGQXMRDIFSPHSA-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)C[C@H](C)O1 ZINC000013073705 406858752 /nfs/dbraw/zinc/85/87/52/406858752.db2.gz WDMONYUVESKOBB-DTORHVGOSA-N -1 0 317.338 1.322 50 0 DDAARM O=C(C1CC1)N1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000014184282 406872331 /nfs/dbraw/zinc/87/23/31/406872331.db2.gz RVMXTMFAIGVHRK-UHFFFAOYSA-N -1 0 318.402 1.451 50 0 DDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc(Br)cc1 ZINC000018193951 406884936 /nfs/dbraw/zinc/88/49/36/406884936.db2.gz MKNMQRDVFNZNHL-UHFFFAOYSA-N -1 0 303.141 1.368 50 0 DDAARM Cc1ccccc1NC(=O)C[C@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022584865 406890593 /nfs/dbraw/zinc/89/05/93/406890593.db2.gz FXCIFSPPXCAQMC-CQSZACIVSA-N -1 0 305.378 1.024 50 0 DDAARM [O-]c1c([C@H](c2ccco2)N2CCOCC2)sc2ncnn12 ZINC000022610074 406890625 /nfs/dbraw/zinc/89/06/25/406890625.db2.gz NXQIRLYJSAYIKY-JTQLQIEISA-N -1 0 306.347 1.511 50 0 DDAARM COc1cc(C2=NO[C@H](C(=O)[O-])C2)c(Cl)c(OC)c1OC ZINC000012396905 406844397 /nfs/dbraw/zinc/84/43/97/406844397.db2.gz WXNLLUXMWJBDLU-VIFPVBQESA-N -1 0 315.709 1.943 50 0 DDAARM CN(CC(=O)[O-])CC(=O)Nc1ccccc1Br ZINC000035084234 406966858 /nfs/dbraw/zinc/96/68/58/406966858.db2.gz UNRUJPVNTZJJSV-UHFFFAOYSA-N -1 0 301.140 1.404 50 0 DDAARM CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000036182761 406977203 /nfs/dbraw/zinc/97/72/03/406977203.db2.gz WEPWFXRXCSFMOJ-UHFFFAOYSA-N -1 0 312.376 1.606 50 0 DDAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(N)=O)c1 ZINC000033359631 406960928 /nfs/dbraw/zinc/96/09/28/406960928.db2.gz YHGCTXKTGIBANU-UHFFFAOYSA-N -1 0 306.343 1.595 50 0 DDAARM O=C([O-])CNC(=O)/C=C/c1ccc(I)o1 ZINC000089799887 407149887 /nfs/dbraw/zinc/14/98/87/407149887.db2.gz OBHYIWUEGQDBTP-DUXPYHPUSA-N -1 0 321.070 1.098 50 0 DDAARM O=C([O-])CCCc1nnc2ccc(N3CCSCC3)nn21 ZINC000095095486 407207234 /nfs/dbraw/zinc/20/72/34/407207234.db2.gz OWZVQQAQNFSUBZ-UHFFFAOYSA-N -1 0 307.379 1.085 50 0 DDAARM Cc1ccc([C@H](C(=O)[O-])N2CCOCC2)c(-n2cccn2)c1 ZINC000095383387 407212542 /nfs/dbraw/zinc/21/25/42/407212542.db2.gz UIPITQQXFBVGSR-OAHLLOKOSA-N -1 0 301.346 1.639 50 0 DDAARM CCCCc1nc(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c[nH]1 ZINC000095504179 407213925 /nfs/dbraw/zinc/21/39/25/407213925.db2.gz MGTLNIRPJXTXHO-CYBMUJFWSA-N -1 0 303.366 1.487 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cnn(C(C)C)c1)C(=O)[O-] ZINC000095498296 407214087 /nfs/dbraw/zinc/21/40/87/407214087.db2.gz WWCHEZIBVFBFDR-GFCCVEGCSA-N -1 0 305.338 1.360 50 0 DDAARM CC[C@@](C)(NC(=O)c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000095969987 407218634 /nfs/dbraw/zinc/21/86/34/407218634.db2.gz RECCKHXDFDJLBZ-OAHLLOKOSA-N -1 0 309.318 1.450 50 0 DDAARM CNc1ccc(Cl)cc1C(=O)NCC[N-]C(=O)C(F)(F)F ZINC000067691889 407280457 /nfs/dbraw/zinc/28/04/57/407280457.db2.gz NXHBEFOVSMZAKV-UHFFFAOYSA-N -1 0 323.702 1.790 50 0 DDAARM O=S(=O)([N-]c1ncccn1)c1cnn(-c2ccccc2)c1 ZINC000097114310 407281159 /nfs/dbraw/zinc/28/11/59/407281159.db2.gz LHHKZIOIDDOYIR-UHFFFAOYSA-N -1 0 301.331 1.463 50 0 DDAARM COc1ccc(F)c(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c1 ZINC000097259250 407290260 /nfs/dbraw/zinc/29/02/60/407290260.db2.gz PLMOVQIJNLTQHJ-CQSZACIVSA-N -1 0 305.309 1.569 50 0 DDAARM Cc1nc(N(C)C)ncc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000097532279 407299123 /nfs/dbraw/zinc/29/91/23/407299123.db2.gz UQICHHPZDFIBFY-QWHCGFSZSA-N -1 0 318.377 1.034 50 0 DDAARM Cc1[nH]c(C(=O)NCCNc2cccnc2)c(C)c1C(=O)[O-] ZINC000097716736 407301954 /nfs/dbraw/zinc/30/19/54/407301954.db2.gz IEIJJDXBYWTZBS-UHFFFAOYSA-N -1 0 302.334 1.567 50 0 DDAARM Cc1nnc(NC(=O)c2c(=O)[nH]c3ccccc3c2[O-])s1 ZINC000100710131 407308465 /nfs/dbraw/zinc/30/84/65/407308465.db2.gz XZWWLLHHSSKOEC-UHFFFAOYSA-N -1 0 302.315 1.646 50 0 DDAARM O=C(NCc1ccccc1)c1n[n-]n(Cc2ccccc2)c1=O ZINC000103441192 407339409 /nfs/dbraw/zinc/33/94/09/407339409.db2.gz LNJAFBVFWYAKSF-UHFFFAOYSA-N -1 0 308.341 1.962 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1 ZINC000238047446 407877607 /nfs/dbraw/zinc/87/76/07/407877607.db2.gz QNSACOUEYRZHEU-ZDUSSCGKSA-N -1 0 300.318 1.347 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000238086087 407886957 /nfs/dbraw/zinc/88/69/57/407886957.db2.gz QJBUHNFFMOOXIB-CYBMUJFWSA-N -1 0 303.293 1.701 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000238084234 407886968 /nfs/dbraw/zinc/88/69/68/407886968.db2.gz SRTRYNFBYAIVLC-LLVKDONJSA-N -1 0 321.724 1.005 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnc(-c2ncccn2)s1 ZINC000238086886 407887240 /nfs/dbraw/zinc/88/72/40/407887240.db2.gz VIELOXAKDQVAHO-MRVPVSSYSA-N -1 0 304.331 1.289 50 0 DDAARM Cc1cccc(OCCCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262923339 407971972 /nfs/dbraw/zinc/97/19/72/407971972.db2.gz FHMKSESZSPEOMY-OAHLLOKOSA-N -1 0 321.373 1.856 50 0 DDAARM CCCC(=O)N1CCC[C@@H](C(=O)N2CC[C@](F)(C(=O)[O-])C2)C1 ZINC000262747856 407914663 /nfs/dbraw/zinc/91/46/63/407914663.db2.gz JZNPAYSPEWJNLC-IAQYHMDHSA-N -1 0 314.357 1.050 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccccc2N2CCOCC2)CCCC1 ZINC000244678416 407931148 /nfs/dbraw/zinc/93/11/48/407931148.db2.gz ICFYWBBMBCOLLI-UHFFFAOYSA-N -1 0 318.373 1.650 50 0 DDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cccc(OC(C)C)n2)C1 ZINC000263024914 408004533 /nfs/dbraw/zinc/00/45/33/408004533.db2.gz MIYPJDDMCFEEQG-VXGBXAGGSA-N -1 0 322.361 1.573 50 0 DDAARM Cc1cc(C)c(N2C[C@@H](C(=O)NCCC(=O)[O-])CC2=O)c(C)c1 ZINC000178207907 408786987 /nfs/dbraw/zinc/78/69/87/408786987.db2.gz AJYFBQDBJMZXTR-ZDUSSCGKSA-N -1 0 318.373 1.556 50 0 DDAARM Cc1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCOCC2)s1 ZINC000165945332 408814947 /nfs/dbraw/zinc/81/49/47/408814947.db2.gz KBMXUQBSYUAPTP-UHFFFAOYSA-N -1 0 319.404 1.216 50 0 DDAARM NC(=O)Nc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cc1 ZINC000262462751 163832959 /nfs/dbraw/zinc/83/29/59/163832959.db2.gz QXZOYXRABGETBO-LBPRGKRZSA-N -1 0 317.345 1.504 50 0 DDAARM Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000009254213 418413247 /nfs/dbraw/zinc/41/32/47/418413247.db2.gz KIJRLOVBCPXION-UHFFFAOYSA-N -1 0 314.317 1.677 50 0 DDAARM CC(C)(C)C(=O)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1 ZINC000048203931 418466695 /nfs/dbraw/zinc/46/66/95/418466695.db2.gz LUTWDENHQDKCPW-UHFFFAOYSA-N -1 0 301.346 1.982 50 0 DDAARM O=c1c2ccccc2[n-]c(=S)n1C[C@H]1CCS(=O)(=O)C1 ZINC000044993357 418436232 /nfs/dbraw/zinc/43/62/32/418436232.db2.gz AQZHKZHSANJVSB-SECBINFHSA-N -1 0 310.400 1.494 50 0 DDAARM COC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ncoc1-c1ccccc1 ZINC000113699062 418501036 /nfs/dbraw/zinc/50/10/36/418501036.db2.gz WUPQKUYJFVSUEP-SNVBAGLBSA-N -1 0 324.358 1.436 50 0 DDAARM COCCN1C(=O)C[C@@](CC(=O)[O-])(c2ccccc2C)C1=O ZINC000299772429 229422886 /nfs/dbraw/zinc/42/28/86/229422886.db2.gz XICVABKBUCURJL-MRXNPFEDSA-N -1 0 305.330 1.113 50 0 DDAARM O=C([O-])CN(C(=O)/C=C\c1ccc2c(c1)OCCO2)C1CC1 ZINC000492178350 421209590 /nfs/dbraw/zinc/20/95/90/421209590.db2.gz CXNHEOHDLSOXIQ-KXFIGUGUSA-N -1 0 303.314 1.547 50 0 DDAARM CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000034928951 278349817 /nfs/dbraw/zinc/34/98/17/278349817.db2.gz CPVQVSILCQNSOF-NSHDSACASA-N -1 0 304.346 1.970 50 0 DDAARM CC(C)(C)N1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O ZINC000034928949 278353859 /nfs/dbraw/zinc/35/38/59/278353859.db2.gz CPVQVSILCQNSOF-LLVKDONJSA-N -1 0 304.346 1.970 50 0 DDAARM CC(C)N(CCC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000140135724 279425530 /nfs/dbraw/zinc/42/55/30/279425530.db2.gz JHBKTOBGELYXPN-UHFFFAOYSA-N -1 0 304.346 1.897 50 0 DDAARM CCc1ccc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)cc1 ZINC000067322122 281389232 /nfs/dbraw/zinc/38/92/32/281389232.db2.gz YEIBIGYLNITJQA-UHFFFAOYSA-N -1 0 310.309 1.940 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000263544239 298200299 /nfs/dbraw/zinc/20/02/99/298200299.db2.gz FWVFEKGIMRLCQL-KDDOJWQBSA-N -1 0 324.764 1.449 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C/C=C\c2cccc(F)c2)CCO1 ZINC000362809050 300146036 /nfs/dbraw/zinc/14/60/36/300146036.db2.gz NOYXTVGGMOBGTG-XBPVQUQDSA-N -1 0 307.321 1.931 50 0 DDAARM Cc1nc([C@H](NC(=O)C(=O)[O-])c2ccc(Cl)c(F)c2)no1 ZINC000364021139 300336017 /nfs/dbraw/zinc/33/60/17/300336017.db2.gz BPIAUNHQTIUOHI-SECBINFHSA-N -1 0 313.672 1.461 50 0 DDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC(O)CC2)c1C ZINC000013248443 301153971 /nfs/dbraw/zinc/15/39/71/301153971.db2.gz ZHNHWTTWFNLAHG-UHFFFAOYSA-N -1 0 313.375 1.147 50 0 DDAARM Cc1cc(C)c2c(n[nH]c2NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071284676 301207126 /nfs/dbraw/zinc/20/71/26/301207126.db2.gz OBIMBSPRXYLZRF-NXEZZACHSA-N -1 0 302.334 1.870 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000237446227 301628806 /nfs/dbraw/zinc/62/88/06/301628806.db2.gz BSZQQFNIKMBEKO-YPMHNXCESA-N -1 0 304.346 1.185 50 0 DDAARM Cn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1=O ZINC000237883194 302908127 /nfs/dbraw/zinc/90/81/27/302908127.db2.gz BGBSWOTVLNCJIK-DRZSPHRISA-N -1 0 304.346 1.243 50 0 DDAARM COc1ccc2oc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c(C)c2c1 ZINC000531746372 303254417 /nfs/dbraw/zinc/25/44/17/303254417.db2.gz BJBRQYPIOKYZRH-ZDUSSCGKSA-N -1 0 319.313 1.675 50 0 DDAARM O=C([O-])CCCC(=O)N1CCCN(C(=O)c2ccoc2)CC1 ZINC000534661413 334321927 /nfs/dbraw/zinc/32/19/27/334321927.db2.gz WGCKMPYNNXMLKK-UHFFFAOYSA-N -1 0 308.334 1.209 50 0 DDAARM Cn1nccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC000317680064 484390577 /nfs/dbraw/zinc/39/05/77/484390577.db2.gz XMVCXEKYQFCCOH-NSHDSACASA-N -1 0 321.358 1.187 50 0 DDAARM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2nc(-c3ccccc3)ns2)C1 ZINC000662898083 484529851 /nfs/dbraw/zinc/52/98/51/484529851.db2.gz RRFSYJJJCHTOKO-DCAQKATOSA-N -1 0 305.359 1.841 50 0 DDAARM CCc1[nH]n(C)c2nnc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c1-2 ZINC000663044109 484622182 /nfs/dbraw/zinc/62/21/82/484622182.db2.gz KKZIXTDNOGYRFW-VIFPVBQESA-N -1 0 307.354 1.544 50 0 DDAARM C[C@H]1Cc2cc(C(=O)Nc3cnn(CC(=O)[O-])c3)ccc2O1 ZINC000663058359 484634377 /nfs/dbraw/zinc/63/43/77/484634377.db2.gz NZYDKVZCJKLUOF-VIFPVBQESA-N -1 0 301.302 1.543 50 0 DDAARM O=C([O-])CN1CC[C@@H](Oc2ccccc2Br)C1=O ZINC000663218804 484743052 /nfs/dbraw/zinc/74/30/52/484743052.db2.gz HYTSYXBCOBGIIJ-SNVBAGLBSA-N -1 0 314.135 1.513 50 0 DDAARM O=C([O-])CN(C(=O)/C=C\c1ccc(F)cc1)C1CCOCC1 ZINC000492136436 534498707 /nfs/dbraw/zinc/49/87/07/534498707.db2.gz IFUDDUNYGXEUFO-UTCJRWHESA-N -1 0 307.321 1.931 50 0 DDAARM O=C([O-])CN(C(=O)[C@H]1CCOc2ccccc21)C1CCOCC1 ZINC000299750520 534499116 /nfs/dbraw/zinc/49/91/16/534499116.db2.gz NQOSVUNKEUBLCD-AWEZNQCLSA-N -1 0 319.357 1.645 50 0 DDAARM CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000299753661 528605638 /nfs/dbraw/zinc/60/56/38/528605638.db2.gz YXKIJSHCGUWZHT-DLOVCJGASA-N -1 0 307.346 1.992 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)CCn1ccnc1)c1ccc(F)cc1 ZINC000887557346 709070747 /nfs/dbraw/zinc/07/07/47/709070747.db2.gz JIWWPUWPTLSOBL-CYBMUJFWSA-N -1 0 305.309 1.745 50 0 DDAARM COc1nc(C)c(S(=O)(=O)[N-]C(=O)CC(C)(C)C)s1 ZINC000888099593 709213085 /nfs/dbraw/zinc/21/30/85/709213085.db2.gz RYDSINUKSVZURL-UHFFFAOYSA-N -1 0 306.409 1.701 50 0 DDAARM O=C([O-])c1cn2c(n1)[C@@H](c1ccccc1)N(C(=O)C1CC1)CC2 ZINC000675014238 737518316 /nfs/dbraw/zinc/51/83/16/737518316.db2.gz GJJDIDWLKDEWQX-CQSZACIVSA-N -1 0 311.341 1.923 50 0 DDAARM COc1ccc(CN2CC=C[C@H]2C(=O)[O-])cc1Cn1cncn1 ZINC000230592676 751075326 /nfs/dbraw/zinc/07/53/26/751075326.db2.gz SLNJEXATBCQZND-AWEZNQCLSA-N -1 0 314.345 1.160 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCO2)cc(Cl)c1F ZINC000585122193 771953379 /nfs/dbraw/zinc/95/33/79/771953379.db2.gz QCZVUCZPOJTIGG-UHFFFAOYSA-N -1 0 323.729 1.893 50 0 DDAARM NC(=O)C1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000262396125 539275740 /nfs/dbraw/zinc/27/57/40/539275740.db2.gz GSFARTSUODRPDL-UHFFFAOYSA-N -1 0 304.346 1.041 50 0 DDAARM O=C([O-])C[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O ZINC000262987163 539275961 /nfs/dbraw/zinc/27/59/61/539275961.db2.gz PWJVLUCZICLCBV-LBPRGKRZSA-N -1 0 302.330 1.108 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000263560004 539276189 /nfs/dbraw/zinc/27/61/89/539276189.db2.gz QSMBVJUHSDSKIV-LLVKDONJSA-N -1 0 310.781 1.705 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000299379208 529872653 /nfs/dbraw/zinc/87/26/53/529872653.db2.gz VDBVWYTVAGEJNR-AWEZNQCLSA-N -1 0 307.346 1.791 50 0 DDAARM CCC(CC)NC(=O)[C@H]1CN(CC(=O)[O-])c2ccccc2O1 ZINC000236653752 201948771 /nfs/dbraw/zinc/94/87/71/201948771.db2.gz NUXNSVBKRIHXMO-CQSZACIVSA-N -1 0 306.362 1.643 50 0 DDAARM Cn1c(=O)c(C2=NN[C@@H](c3cccc(O)c3)C2)c([O-])[nH]c1=S ZINC000015834742 352157245 /nfs/dbraw/zinc/15/72/45/352157245.db2.gz MIWKUABLTLAQHD-SECBINFHSA-N -1 0 318.358 1.293 50 0 DDAARM COc1cc([C@@H](CC(=O)[O-])n2cnnn2)ccc1OC(C)C ZINC000001235067 180850342 /nfs/dbraw/zinc/85/03/42/180850342.db2.gz FTTQXXKKCMZGGO-LLVKDONJSA-N -1 0 306.322 1.533 50 0 DDAARM O=C(NCc1n[nH]c(=O)[n-]1)C1(c2ccc(F)cc2)CCCC1 ZINC000075092844 353346036 /nfs/dbraw/zinc/34/60/36/353346036.db2.gz FMBLRAZYRQGFRS-UHFFFAOYSA-N -1 0 304.325 1.365 50 0 DDAARM O=C(c1n[nH]c(=O)[n-]1)N1CC(OCc2cccc3ccccc32)C1 ZINC000075093109 353346067 /nfs/dbraw/zinc/34/60/67/353346067.db2.gz BJVOWOXNOHCTTG-UHFFFAOYSA-N -1 0 324.340 1.705 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492184001 234408641 /nfs/dbraw/zinc/40/86/41/234408641.db2.gz SBQHJSHKOLLFSL-HYXAFXHYSA-N -1 0 321.329 1.031 50 0 DDAARM O=C1Nc2ccc(S(=O)(=O)[N-]c3nnc[nH]3)c3cccc1c23 ZINC000004113213 181074665 /nfs/dbraw/zinc/07/46/65/181074665.db2.gz VKDNZSQLIOTCNE-UHFFFAOYSA-N -1 0 315.314 1.324 50 0 DDAARM O=C([O-])CSc1ncnc2c1nnn2Cc1ccccc1F ZINC000004166543 181081188 /nfs/dbraw/zinc/08/11/88/181081188.db2.gz OUSAIAZYZVFZPN-UHFFFAOYSA-N -1 0 319.321 1.585 50 0 DDAARM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000236801084 202016163 /nfs/dbraw/zinc/01/61/63/202016163.db2.gz XMYZSQXUTVRWJM-SNVBAGLBSA-N -1 0 324.402 1.919 50 0 DDAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000004792304 181152518 /nfs/dbraw/zinc/15/25/18/181152518.db2.gz KDQLNJPBTLIYNW-DGCLKSJQSA-N -1 0 322.361 1.527 50 0 DDAARM O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)N[C@@H]2CCCOC2)C1 ZINC000585134168 354811256 /nfs/dbraw/zinc/81/12/56/354811256.db2.gz GLAOVVJGMWSTPK-BXUZGUMPSA-N -1 0 317.345 1.001 50 0 DDAARM COc1c(C=C2SC(=O)NC2=O)cccc1O[C@@H](C)C(=O)[O-] ZINC000005060156 181198574 /nfs/dbraw/zinc/19/85/74/181198574.db2.gz ZPSQDRVCTBUSIQ-FSEMZKDTSA-N -1 0 323.326 1.871 50 0 DDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CC12CCOCC2 ZINC000238146590 304066655 /nfs/dbraw/zinc/06/66/55/304066655.db2.gz MLISBBRHGOJBRC-AWEZNQCLSA-N -1 0 303.358 1.917 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]CC(F)(F)CO)sc1Cl ZINC000188186152 200206026 /nfs/dbraw/zinc/20/60/26/200206026.db2.gz AMGWKRPSVZJEBL-UHFFFAOYSA-N -1 0 305.755 1.616 50 0 DDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000194550532 201250285 /nfs/dbraw/zinc/25/02/85/201250285.db2.gz YZRNCBMEYPQQLP-ZJUUUORDSA-N -1 0 324.343 1.763 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2c(F)cccc2Cl)CCO1 ZINC000091293634 193032631 /nfs/dbraw/zinc/03/26/31/193032631.db2.gz GJTZGIYCLWDKOH-VIFPVBQESA-N -1 0 315.728 1.724 50 0 DDAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c(=O)cn2)C1 ZINC000091445123 193056599 /nfs/dbraw/zinc/05/65/99/193056599.db2.gz PZNVGOVRQLSYTK-MRXNPFEDSA-N -1 0 319.361 1.433 50 0 DDAARM CN(C)c1nsc(N2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)n1 ZINC000091574191 193074711 /nfs/dbraw/zinc/07/47/11/193074711.db2.gz WQUGDEVOBOWSDC-WDEREUQCSA-N -1 0 319.390 1.304 50 0 DDAARM CCC[C@@H]1CN(C(=O)CN2Cc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000091694673 193092652 /nfs/dbraw/zinc/09/26/52/193092652.db2.gz XXVJJYYVIYONCN-HZPDHXFCSA-N -1 0 316.401 1.962 50 0 DDAARM CN(C)c1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC000091737047 193099504 /nfs/dbraw/zinc/09/95/04/193099504.db2.gz OCRIJARNAQYBDD-LSDHHAIUSA-N -1 0 302.374 1.935 50 0 DDAARM CC(C)[C@@H]1CN(c2cc(C(=O)NC3CC3)ccn2)C[C@H]1C(=O)[O-] ZINC000091792901 193109040 /nfs/dbraw/zinc/10/90/40/193109040.db2.gz FICKKROMESBWRB-UONOGXRCSA-N -1 0 317.389 1.767 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COC[C@H]1CCCO1 ZINC000299752663 304143647 /nfs/dbraw/zinc/14/36/47/304143647.db2.gz UXEWCIGSMZAZPF-DGAVXFQQSA-N -1 0 311.378 1.426 50 0 DDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262195565 203226634 /nfs/dbraw/zinc/22/66/34/203226634.db2.gz ZIVMAKIEFJGQLQ-UTUOFQBUSA-N -1 0 309.387 1.862 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(c2cccc(F)c2)CCOCC1 ZINC000262450584 203297241 /nfs/dbraw/zinc/29/72/41/203297241.db2.gz WFDCKRAZCYXGLG-STQMWFEESA-N -1 0 307.321 1.668 50 0 DDAARM C[C@@]1(NC(=O)c2ccc3n[nH]nc3c2)CCCC[C@H]1C(=O)[O-] ZINC000262707373 203388435 /nfs/dbraw/zinc/38/84/35/203388435.db2.gz BULGUNHYUNELAE-ZUZCIYMTSA-N -1 0 302.334 1.721 50 0 DDAARM CC(C)Cc1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)cc(=O)[nH]1 ZINC000262759287 203399782 /nfs/dbraw/zinc/39/97/82/203399782.db2.gz KFWGDKJJYMUCCV-UHFFFAOYSA-N -1 0 322.361 1.037 50 0 DDAARM COc1ccc2cc(C(=O)NC[C@@H](OC)C(=O)[O-])c(C)nc2c1 ZINC000263134772 203440134 /nfs/dbraw/zinc/44/01/34/203440134.db2.gz UHYPDHMANZPRAH-CQSZACIVSA-N -1 0 318.329 1.381 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC000013455931 181852384 /nfs/dbraw/zinc/85/23/84/181852384.db2.gz CZXSQCGMVWJMNQ-MRVPVSSYSA-N -1 0 319.766 1.448 50 0 DDAARM COc1cccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020319229 182206352 /nfs/dbraw/zinc/20/63/52/182206352.db2.gz KMWQDCZCXXLRTQ-SECBINFHSA-N -1 0 303.318 1.618 50 0 DDAARM O=C([O-])CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000020201041 182196694 /nfs/dbraw/zinc/19/66/94/182196694.db2.gz ZRTLHIYSXAKRER-SNVBAGLBSA-N -1 0 324.764 1.674 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000020200925 182196979 /nfs/dbraw/zinc/19/69/79/182196979.db2.gz KVVPTNITOZQRNL-NEPJUHHUSA-N -1 0 308.378 1.101 50 0 DDAARM Cc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)s1 ZINC000020285079 182203131 /nfs/dbraw/zinc/20/31/31/182203131.db2.gz WEXVAWMZLHJQNN-UHFFFAOYSA-N -1 0 303.405 1.850 50 0 DDAARM COc1ccc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC000020326336 182207862 /nfs/dbraw/zinc/20/78/62/182207862.db2.gz QQANQGULSYHQQS-JTQLQIEISA-N -1 0 303.318 1.467 50 0 DDAARM Cc1[nH]nc(C(F)(F)F)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020616448 182239682 /nfs/dbraw/zinc/23/96/82/182239682.db2.gz BZTNZJIKNFTNKQ-UHFFFAOYSA-N -1 0 317.227 1.421 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000088374964 304200279 /nfs/dbraw/zinc/20/02/79/304200279.db2.gz UOCBIULWOQOYOC-SNVBAGLBSA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1nc2c(s1)CCCC2 ZINC000097347444 304205580 /nfs/dbraw/zinc/20/55/80/304205580.db2.gz OMCUMEMOBFIFQY-GFCCVEGCSA-N -1 0 318.402 1.757 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000268911261 207079780 /nfs/dbraw/zinc/07/97/80/207079780.db2.gz NIRSEFWJQINJSC-GHMZBOCLSA-N -1 0 317.263 1.965 50 0 DDAARM COc1ccc(-n2ccc(CNC(=O)[C@H]3C[C@H]3C(=O)[O-])n2)cc1 ZINC000268925400 207092229 /nfs/dbraw/zinc/09/22/29/207092229.db2.gz VNXUABDQZBTFIX-UONOGXRCSA-N -1 0 315.329 1.218 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000269093767 207236226 /nfs/dbraw/zinc/23/62/26/207236226.db2.gz XSWKRZDJRMUAMM-UKRRQHHQSA-N -1 0 320.389 1.209 50 0 DDAARM CCc1cccc(NC(=O)c2c([O-])c3cnn(C)c3[nH]c2=O)c1 ZINC000065249832 184318724 /nfs/dbraw/zinc/31/87/24/184318724.db2.gz VAVNTKRKBROAJF-UHFFFAOYSA-N -1 0 312.329 1.782 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)Cc1cccc2ccccc21 ZINC000065454639 184347828 /nfs/dbraw/zinc/34/78/28/184347828.db2.gz BLMSTPHBMMJODX-GOEBONIOSA-N -1 0 313.353 1.819 50 0 DDAARM C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000377144292 257235190 /nfs/dbraw/zinc/23/51/90/257235190.db2.gz ACNXEYPRHNPXDE-IXOXFDKPSA-N -1 0 302.330 1.017 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000071280946 257253795 /nfs/dbraw/zinc/25/37/95/257253795.db2.gz OWISLOOEQCSIFW-MNOVXSKESA-N -1 0 319.296 1.097 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2c(C)noc2C)c(OC)n1 ZINC000000111575 406620750 /nfs/dbraw/zinc/62/07/50/406620750.db2.gz UMPWTWAIEFPDIH-UHFFFAOYSA-N -1 0 313.335 1.504 50 0 DDAARM CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1O ZINC000002401615 406687581 /nfs/dbraw/zinc/68/75/81/406687581.db2.gz QWWSZPTWYZUJMQ-IZZDOVSWSA-N -1 0 323.326 1.912 50 0 DDAARM CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O ZINC000000312362 406640580 /nfs/dbraw/zinc/64/05/80/406640580.db2.gz SQTYDIUOKWSDRM-UHFFFAOYSA-N -1 0 304.302 1.352 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)Cn1cnc2ccccc2c1=O ZINC000000376386 406642235 /nfs/dbraw/zinc/64/22/35/406642235.db2.gz ANQQFZQSRJWCQS-UHFFFAOYSA-N -1 0 323.308 1.733 50 0 DDAARM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000069569090 406737274 /nfs/dbraw/zinc/73/72/74/406737274.db2.gz RLEDWXKJKUQEOI-ABAIWWIYSA-N -1 0 322.336 1.753 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000006847401 406741957 /nfs/dbraw/zinc/74/19/57/406741957.db2.gz FJUQTIWEBLERLG-QWHCGFSZSA-N -1 0 317.341 1.741 50 0 DDAARM CCc1c([O-])nc(SCC(N)=O)n(-c2ccccc2F)c1=O ZINC000008602247 406789699 /nfs/dbraw/zinc/78/96/99/406789699.db2.gz VYMPUWFWJULQFE-UHFFFAOYSA-N -1 0 323.349 1.217 50 0 DDAARM O=C(CCn1[n-]c(=O)ccc1=O)N[C@H]1CCCc2ccccc21 ZINC000009058116 406802971 /nfs/dbraw/zinc/80/29/71/406802971.db2.gz PFPDPOVWDBBRQR-AWEZNQCLSA-N -1 0 313.357 1.121 50 0 DDAARM CC[C@@H](C)[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000071328868 406837861 /nfs/dbraw/zinc/83/78/61/406837861.db2.gz SEAFFYSOKRKJIE-QMTHXVAHSA-N -1 0 317.345 1.012 50 0 DDAARM COC[C@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013034887 406858347 /nfs/dbraw/zinc/85/83/47/406858347.db2.gz HNRBWSINQAXPFQ-QMMMGPOBSA-N -1 0 301.726 1.568 50 0 DDAARM Cc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2)[nH]c(=O)c1C ZINC000013407898 406861019 /nfs/dbraw/zinc/86/10/19/406861019.db2.gz GZXBUJYTKCCNAL-UHFFFAOYSA-N -1 0 322.346 1.309 50 0 DDAARM O=C(Cn1cnc2ccccc2c1=O)[N-]OCc1ccccc1 ZINC000013987464 406868404 /nfs/dbraw/zinc/86/84/04/406868404.db2.gz GFFPLTBOGNHFTG-UHFFFAOYSA-N -1 0 309.325 1.645 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C ZINC000030522262 406932648 /nfs/dbraw/zinc/93/26/48/406932648.db2.gz GRZNZKHSDGATLX-CHWSQXEVSA-N -1 0 316.357 1.960 50 0 DDAARM NC(=O)C[C@H](NC(=O)c1cc2c(cccc2F)s1)C(=O)[O-] ZINC000036976568 406984943 /nfs/dbraw/zinc/98/49/43/406984943.db2.gz AIXWQIITOJSWRH-QMMMGPOBSA-N -1 0 310.306 1.099 50 0 DDAARM COCc1ccccc1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932470 407172653 /nfs/dbraw/zinc/17/26/53/407172653.db2.gz FFLKFAKYBFTAGQ-UHFFFAOYSA-N -1 0 306.343 1.918 50 0 DDAARM Cc1nn(C(F)F)c(C)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000095960556 407217980 /nfs/dbraw/zinc/21/79/80/407217980.db2.gz MUIVIHXZXVPNHW-SNVBAGLBSA-N -1 0 315.320 1.761 50 0 DDAARM COC(=O)Nc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000095971396 407218657 /nfs/dbraw/zinc/21/86/57/407218657.db2.gz UBWZFNGATSAIML-UHFFFAOYSA-N -1 0 306.318 1.802 50 0 DDAARM Cc1ccc(N2N=C(C(=O)[O-])S(=O)(=O)c3cccnc32)cc1 ZINC000067172748 407268679 /nfs/dbraw/zinc/26/86/79/407268679.db2.gz ZTAXGVCKCIYBHJ-UHFFFAOYSA-N -1 0 317.326 1.714 50 0 DDAARM Cc1cc(C)n(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(F)c2)n1 ZINC000097036683 407275791 /nfs/dbraw/zinc/27/57/91/407275791.db2.gz OJEHAGYFXWPLTP-CQSZACIVSA-N -1 0 323.299 1.720 50 0 DDAARM O=C(CCc1cc(=O)[n-]o1)NCc1cccnc1-n1ccnc1 ZINC000067697416 407280621 /nfs/dbraw/zinc/28/06/21/407280621.db2.gz JQBNEBKQJYSBKJ-UHFFFAOYSA-N -1 0 313.317 1.210 50 0 DDAARM CN(CCN1CCCCC1=O)Cc1ccccc1OCC(=O)[O-] ZINC000216228484 407496128 /nfs/dbraw/zinc/49/61/28/407496128.db2.gz GXYLWSPKEJQCMV-UHFFFAOYSA-N -1 0 320.389 1.594 50 0 DDAARM O=C([N-]S(=O)(=O)CCCF)[C@H]1CSc2ccccc21 ZINC000225440812 407583426 /nfs/dbraw/zinc/58/34/26/407583426.db2.gz YIICDORTPMQXEQ-JTQLQIEISA-N -1 0 303.380 1.682 50 0 DDAARM CC(C)N1C[C@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000236595546 407729980 /nfs/dbraw/zinc/72/99/80/407729980.db2.gz WCVDJFJJGXDJQK-CQSZACIVSA-N -1 0 318.373 1.300 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000237650936 407832770 /nfs/dbraw/zinc/83/27/70/407832770.db2.gz LZWAVEZRVFYJQN-MEDUHNTESA-N -1 0 302.330 1.436 50 0 DDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCCC1 ZINC000237948402 407853955 /nfs/dbraw/zinc/85/39/55/407853955.db2.gz PKMBOKXSZSIVSM-NSHDSACASA-N -1 0 320.345 1.142 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000238067381 407880745 /nfs/dbraw/zinc/88/07/45/407880745.db2.gz QLFJCLWEABHFIL-SECBINFHSA-N -1 0 321.358 1.806 50 0 DDAARM O=C([O-])CCCCNC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000238182703 407896445 /nfs/dbraw/zinc/89/64/45/407896445.db2.gz YFLUUVMVKMTPCB-CYBMUJFWSA-N -1 0 324.421 1.929 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CCO1 ZINC000262905381 407965107 /nfs/dbraw/zinc/96/51/07/407965107.db2.gz CAGXSBQCOFFKCZ-NHCYSSNCSA-N -1 0 311.284 1.380 50 0 DDAARM CC[C@@H](C(=O)[O-])N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O ZINC000242498428 407915734 /nfs/dbraw/zinc/91/57/34/407915734.db2.gz HDPBNIHQFJQDGQ-JTQLQIEISA-N -1 0 321.782 1.978 50 0 DDAARM C[C@@H]1C(=O)N(CC(=O)[O-])CCN1Cc1ccc2ccn(C)c2c1 ZINC000244715761 407931016 /nfs/dbraw/zinc/93/10/16/407931016.db2.gz LBSBOAWHIGVEMD-GFCCVEGCSA-N -1 0 315.373 1.296 50 0 DDAARM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCOC2)c1 ZINC000263203285 408056701 /nfs/dbraw/zinc/05/67/01/408056701.db2.gz NZXSKPNQKOKZEY-BZNIZROVSA-N -1 0 307.346 1.538 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000136021219 408070133 /nfs/dbraw/zinc/07/01/33/408070133.db2.gz NQTAHGMGDPNLMJ-NEPJUHHUSA-N -1 0 321.358 1.295 50 0 DDAARM CC(C)C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000175878736 408229298 /nfs/dbraw/zinc/22/92/98/408229298.db2.gz FPRMBCNFHLPNKT-WDEREUQCSA-N -1 0 310.350 1.261 50 0 DDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1-c1ccccn1 ZINC000178270231 408796824 /nfs/dbraw/zinc/79/68/24/408796824.db2.gz BGNJEESWVJVCGZ-NSHDSACASA-N -1 0 300.318 1.122 50 0 DDAARM CC1CCN(c2ccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cn2)CC1 ZINC000178273975 408797486 /nfs/dbraw/zinc/79/74/86/408797486.db2.gz GHRXZKREBRXZOD-CQSZACIVSA-N -1 0 317.389 1.865 50 0 DDAARM C[C@H]1Oc2cc(S(=O)(=O)[N-]c3ccccn3)ccc2NC1=O ZINC000252495989 408800060 /nfs/dbraw/zinc/80/00/60/408800060.db2.gz PECGMRINWDXJBU-SECBINFHSA-N -1 0 319.342 1.602 50 0 DDAARM O=C([O-])C1(C(=O)NCc2ccccc2CN2CCCC2=O)CC1 ZINC000165023619 408808218 /nfs/dbraw/zinc/80/82/18/408808218.db2.gz APPZPCDRHYPUTO-UHFFFAOYSA-N -1 0 316.357 1.290 50 0 DDAARM Cc1ccc(OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)c1 ZINC000317189845 164026465 /nfs/dbraw/zinc/02/64/65/164026465.db2.gz SXBOLBFUEPDTPI-ZDUSSCGKSA-N -1 0 307.346 1.384 50 0 DDAARM CCCS(=O)(=O)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299751879 410605815 /nfs/dbraw/zinc/60/58/15/410605815.db2.gz SBXXXCVRPIXPEV-WOPDTQHZSA-N -1 0 317.407 1.056 50 0 DDAARM Cc1nc(C)c(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])s1 ZINC000299778539 410619864 /nfs/dbraw/zinc/61/98/64/410619864.db2.gz QFFNKPGUYLWZKZ-SNVBAGLBSA-N -1 0 306.347 1.307 50 0 DDAARM Cc1ccc(C(=O)[O-])c(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 ZINC000299786784 410627908 /nfs/dbraw/zinc/62/79/08/410627908.db2.gz XMETXMGOLPLDOC-STQMWFEESA-N -1 0 315.333 1.030 50 0 DDAARM Cn1cc([C@@]2(C)CN(C(=O)c3c([O-])cccc3F)CCO2)cn1 ZINC000129747171 196073363 /nfs/dbraw/zinc/07/33/63/196073363.db2.gz MEEYPKVHFUOWLC-MRXNPFEDSA-N -1 0 319.336 1.653 50 0 DDAARM Cc1cccc(O[C@H](C)C(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC000647781014 423044562 /nfs/dbraw/zinc/04/45/62/423044562.db2.gz XVMJPDVHFWIWMA-SNVBAGLBSA-N -1 0 304.306 1.077 50 0 DDAARM C[C@@H](C(=O)Nc1ncn(CC(=O)[O-])n1)c1ccc(Cl)s1 ZINC000647782314 423046537 /nfs/dbraw/zinc/04/65/37/423046537.db2.gz GDZFEHDFSMYAKH-ZCFIWIBFSA-N -1 0 314.754 1.820 50 0 DDAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)CN1CCCC1=O)c1ccccc1 ZINC000119904898 418502772 /nfs/dbraw/zinc/50/27/72/418502772.db2.gz CTWAMSUJQCMTMD-IAQYHMDHSA-N -1 0 304.346 1.187 50 0 DDAARM O=C([O-])CCN(C(=O)c1ccc2n[nH]nc2c1)C1CCOCC1 ZINC000408513235 418806295 /nfs/dbraw/zinc/80/62/95/418806295.db2.gz CPSUMVFTONWWPK-UHFFFAOYSA-N -1 0 318.333 1.054 50 0 DDAARM Cn1nccc1C(=O)NC1(C(=O)[O-])C2CC3CC(C2)CC1C3 ZINC000408525951 418809271 /nfs/dbraw/zinc/80/92/71/418809271.db2.gz WBTOLGUBHSEONE-UHFFFAOYSA-N -1 0 303.362 1.429 50 0 DDAARM CCC[C@H](NC(=O)c1[nH]nc(N)c1-c1ccccc1)C(=O)[O-] ZINC000426497082 419491483 /nfs/dbraw/zinc/49/14/83/419491483.db2.gz DIJYEDZBOIMTMF-JTQLQIEISA-N -1 0 302.334 1.642 50 0 DDAARM CC(C)(C)NC(=O)CN1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426507817 419496149 /nfs/dbraw/zinc/49/61/49/419496149.db2.gz BPNJWAMXFBBQHZ-LBPRGKRZSA-N -1 0 322.409 1.062 50 0 DDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)c2cccc3c2OCO3)cn1 ZINC000439716734 420532913 /nfs/dbraw/zinc/53/29/13/420532913.db2.gz IGJJOSBFYXACNC-UHFFFAOYSA-N -1 0 317.301 1.684 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2cnn(-c3ccccc3)c2)C1 ZINC000492182763 421210569 /nfs/dbraw/zinc/21/05/69/421210569.db2.gz POMHLYXFFPFIHD-LMVHVUTASA-N -1 0 311.341 1.819 50 0 DDAARM CCc1nc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])nc2)no1 ZINC000653297105 423428581 /nfs/dbraw/zinc/42/85/81/423428581.db2.gz HPFMYVSUQZBKTQ-NSHDSACASA-N -1 0 316.317 1.703 50 0 DDAARM CC(C)n1cc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)cn1 ZINC000653495229 423499461 /nfs/dbraw/zinc/49/94/61/423499461.db2.gz AJLYNUFKHMYCKJ-UHFFFAOYSA-N -1 0 301.368 1.092 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCC[C@H]2Cn2cncn2)c1 ZINC000647143002 423783960 /nfs/dbraw/zinc/78/39/60/423783960.db2.gz ZRAFHERXCLRMAS-ZDUSSCGKSA-N -1 0 300.318 1.281 50 0 DDAARM CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000321410465 271027995 /nfs/dbraw/zinc/02/79/95/271027995.db2.gz MMWJAEIGXLXACX-KKTNHOPESA-N -1 0 319.357 1.801 50 0 DDAARM CC(C)Oc1ccccc1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299752636 279731142 /nfs/dbraw/zinc/73/11/42/279731142.db2.gz UUZLSRZEIZBTHD-CYBMUJFWSA-N -1 0 307.346 1.328 50 0 DDAARM Cn1ccc2c1cccc2C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237808868 281885354 /nfs/dbraw/zinc/88/53/54/281885354.db2.gz DSUXZVNDLAYRKF-UHFFFAOYSA-N -1 0 316.357 1.884 50 0 DDAARM Cc1cc(C)n([C@H](C)CC(=O)N2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000263260182 301254268 /nfs/dbraw/zinc/25/42/68/301254268.db2.gz GEOWYMITCNLGIT-OLZOCXBDSA-N -1 0 309.366 1.153 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3ccsc3)CC2)c1 ZINC000072436287 302398854 /nfs/dbraw/zinc/39/88/54/302398854.db2.gz FZBHOMZHXUGJBU-UHFFFAOYSA-N -1 0 319.386 1.969 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000285032445 302737872 /nfs/dbraw/zinc/73/78/72/302737872.db2.gz FZBZXXNMQNGLIS-CQSZACIVSA-N -1 0 313.357 1.689 50 0 DDAARM Cc1nn(C)c2nc(C)cc(C(=O)N3CC=C[C@H]3C(=O)[O-])c12 ZINC000426387168 302790460 /nfs/dbraw/zinc/79/04/60/302790460.db2.gz WZESJADQSYTQCQ-NSHDSACASA-N -1 0 300.318 1.050 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)s1 ZINC000237744174 303342791 /nfs/dbraw/zinc/34/27/91/303342791.db2.gz LYVRAEWRNRQHLT-UTLUCORTSA-N -1 0 322.386 1.705 50 0 DDAARM O=C([O-])c1cccc(OCCNC(=O)CCn2ccnc2)c1 ZINC000534579721 334288967 /nfs/dbraw/zinc/28/89/67/334288967.db2.gz NLWHHTKIMJKZPC-UHFFFAOYSA-N -1 0 303.318 1.167 50 0 DDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000095452256 484017664 /nfs/dbraw/zinc/01/76/64/484017664.db2.gz HYEKRTSDXONPFD-UHFFFAOYSA-N -1 0 322.434 2.358 50 0 DDAARM C[C@@](NC(=O)c1ccc2c(c1)OCCCO2)(C(=O)[O-])C1CC1 ZINC000299744554 534261057 /nfs/dbraw/zinc/26/10/57/534261057.db2.gz SVGCPUPYMQILOJ-INIZCTEOSA-N -1 0 305.330 1.831 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000299742038 534538313 /nfs/dbraw/zinc/53/83/13/534538313.db2.gz ATNDHHDKXQTLNS-IUODEOHRSA-N -1 0 303.358 1.494 50 0 DDAARM NS(=O)(=O)c1cc(NC(=O)C(C2CC2)C2CC2)ccc1[O-] ZINC000585085720 771934984 /nfs/dbraw/zinc/93/49/84/771934984.db2.gz FIGRWOVMWSETSD-UHFFFAOYSA-N -1 0 310.375 1.414 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2cc(F)ccc2F)cn1 ZINC000585433150 773683352 /nfs/dbraw/zinc/68/33/52/773683352.db2.gz DEKCNDVSVMBTJP-UHFFFAOYSA-N -1 0 301.274 1.564 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2csc3ccccc23)CCO1 ZINC000262159797 539275496 /nfs/dbraw/zinc/27/54/96/539275496.db2.gz VBZROWYVJWOEIP-LBPRGKRZSA-N -1 0 305.355 1.756 50 0 DDAARM Cn1cnnc1C1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000262518899 539275742 /nfs/dbraw/zinc/27/57/42/539275742.db2.gz DGCJKHLBGZEVHJ-QWHCGFSZSA-N -1 0 320.393 1.412 50 0 DDAARM CCC[C@H](NC(=O)c1cccc(-n2cccn2)n1)c1nnn[n-]1 ZINC000089949688 185270981 /nfs/dbraw/zinc/27/09/81/185270981.db2.gz ZNWRVNMDNOGISY-JTQLQIEISA-N -1 0 312.337 1.052 50 0 DDAARM CCN(CC(=O)[O-])C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000095424629 185361543 /nfs/dbraw/zinc/36/15/43/185361543.db2.gz UNXPIIPDHXTVBC-UHFFFAOYSA-N -1 0 320.345 1.125 50 0 DDAARM O=C([O-])[C@H](NC(=O)Cn1ncc2ccccc21)c1ccccc1 ZINC000097017998 185397837 /nfs/dbraw/zinc/39/78/37/185397837.db2.gz XJWOGYUQNHKTBZ-MRXNPFEDSA-N -1 0 309.325 1.978 50 0 DDAARM CCc1cccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000095471823 185372699 /nfs/dbraw/zinc/37/26/99/185372699.db2.gz DZJOJMJMCWMOFT-UHFFFAOYSA-N -1 0 300.314 1.748 50 0 DDAARM Cn1[n-]c(CNC(=O)c2ccc(OC3CCCC3)cc2)cc1=O ZINC000328591411 529831251 /nfs/dbraw/zinc/83/12/51/529831251.db2.gz KCTZOLWVJFOOQR-UHFFFAOYSA-N -1 0 315.373 1.956 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000236688470 201965372 /nfs/dbraw/zinc/96/53/72/201965372.db2.gz KHTGCKVQPLTRJE-KGLIPLIRSA-N -1 0 304.346 1.187 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(C(=O)[O-])o1 ZINC000237509857 186299544 /nfs/dbraw/zinc/29/95/44/186299544.db2.gz ASFMQEBFHJUJDL-QMMMGPOBSA-N -1 0 305.334 1.689 50 0 DDAARM CCc1cc(N[C@H](C)c2n[nH]c(=O)[n-]2)n2nc(C)c(C)c2n1 ZINC000072411262 191154349 /nfs/dbraw/zinc/15/43/49/191154349.db2.gz VIVWPFSYWCGFST-SECBINFHSA-N -1 0 301.354 1.493 50 0 DDAARM CCCc1nc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])cs1 ZINC000072421460 191158642 /nfs/dbraw/zinc/15/86/42/191158642.db2.gz UMRKLOKWBQNEQA-GFCCVEGCSA-N -1 0 320.374 1.643 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3ccc[nH]3)CC2)c1 ZINC000072472808 191175986 /nfs/dbraw/zinc/17/59/86/191175986.db2.gz OMZRPIWXZHDELL-UHFFFAOYSA-N -1 0 302.334 1.236 50 0 DDAARM CCOC(=O)N1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000000556152 180820875 /nfs/dbraw/zinc/82/08/75/180820875.db2.gz GQXHITYRCGIMGV-NWDGAFQWSA-N -1 0 312.366 1.178 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000001797610 180897404 /nfs/dbraw/zinc/89/74/04/180897404.db2.gz GZEXLSPVDWIRGE-JTQLQIEISA-N -1 0 323.823 1.825 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000076094824 353397995 /nfs/dbraw/zinc/39/79/95/353397995.db2.gz XMKJTIRDGQRWMI-KBPBESRZSA-N -1 0 320.370 1.733 50 0 DDAARM C[C@H](NC(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1)C(=O)[O-] ZINC000237448965 299207066 /nfs/dbraw/zinc/20/70/66/299207066.db2.gz WLSKMFRYARZRKK-FZMZJTMJSA-N -1 0 308.353 1.770 50 0 DDAARM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000091021465 353804685 /nfs/dbraw/zinc/80/46/85/353804685.db2.gz KSOAXDHVAFGJAR-UHFFFAOYSA-N -1 0 307.375 1.718 50 0 DDAARM COc1cccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)c1 ZINC000004073701 181069974 /nfs/dbraw/zinc/06/99/74/181069974.db2.gz WDXKXEGGFYAZRU-JFILPPLUSA-N -1 0 301.298 1.066 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000158497513 354230082 /nfs/dbraw/zinc/23/00/82/354230082.db2.gz YPERUAKYDVUJGN-KGLIPLIRSA-N -1 0 320.320 1.784 50 0 DDAARM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3nccs3)ccc21 ZINC000074931727 191388642 /nfs/dbraw/zinc/38/86/42/191388642.db2.gz AJNIZAKURZWYGF-UHFFFAOYSA-N -1 0 309.372 1.463 50 0 DDAARM CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccn3)cc21 ZINC000074936356 191391610 /nfs/dbraw/zinc/39/16/10/191391610.db2.gz PKQBZEHQQWRONN-UHFFFAOYSA-N -1 0 319.342 1.238 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000236833257 202031526 /nfs/dbraw/zinc/03/15/26/202031526.db2.gz SPZAWVDQISAMMZ-UHFFFAOYSA-N -1 0 318.373 1.746 50 0 DDAARM COc1ccc2[nH]cc(CC(=O)N(CC(=O)[O-])C3CC3)c2c1 ZINC000237260588 202207985 /nfs/dbraw/zinc/20/79/85/202207985.db2.gz BLKODPYPZDNJGV-UHFFFAOYSA-N -1 0 302.330 1.795 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2SCCc3ccccc32)CCO1 ZINC000299751773 304077204 /nfs/dbraw/zinc/07/72/04/304077204.db2.gz RRBVANZKWJLELL-IUODEOHRSA-N -1 0 321.398 1.719 50 0 DDAARM Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000237658573 202320491 /nfs/dbraw/zinc/32/04/91/202320491.db2.gz RULZARRSTDTMEO-CYBMUJFWSA-N -1 0 316.313 1.895 50 0 DDAARM COc1cc2c(cc1OC)[C@H]([N-]C(=O)C(F)(F)F)CNC2=O ZINC000006453899 181341944 /nfs/dbraw/zinc/34/19/44/181341944.db2.gz SGZWNPAIMZNPEF-MRVPVSSYSA-N -1 0 318.251 1.167 50 0 DDAARM O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)[O-])cc1 ZINC000006588604 181357587 /nfs/dbraw/zinc/35/75/87/181357587.db2.gz SOOASGFHGHFOEL-UHFFFAOYSA-N -1 0 321.141 1.786 50 0 DDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(N(C)C)nc2C)C1 ZINC000091593281 193076275 /nfs/dbraw/zinc/07/62/75/193076275.db2.gz BDWMVKXMNYTZSY-MRXNPFEDSA-N -1 0 320.393 1.568 50 0 DDAARM O=C([O-])C[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000252482795 202841483 /nfs/dbraw/zinc/84/14/83/202841483.db2.gz DNYXPSDUHOJWSJ-GFCCVEGCSA-N -1 0 301.302 1.106 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000261673876 203091415 /nfs/dbraw/zinc/09/14/15/203091415.db2.gz LRYISYKCWSVFSH-ZDUSSCGKSA-N -1 0 301.346 1.961 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COCC(F)(F)F ZINC000223851596 304146962 /nfs/dbraw/zinc/14/69/62/304146962.db2.gz ZFRJOQNNPZPRJL-UTLUCORTSA-N -1 0 309.284 1.810 50 0 DDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000262635630 203360380 /nfs/dbraw/zinc/36/03/80/203360380.db2.gz GECGTTHLLQTIKN-UHFFFAOYSA-N -1 0 303.283 1.472 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000262730695 203394763 /nfs/dbraw/zinc/39/47/63/203394763.db2.gz BWIFCOHLFXDHHH-RISCZKNCSA-N -1 0 307.346 1.676 50 0 DDAARM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(c1ncccc1Cl)CC2 ZINC000095366374 193433676 /nfs/dbraw/zinc/43/36/76/193433676.db2.gz XCUBKGNWMKEOMN-JTQLQIEISA-N -1 0 323.780 1.637 50 0 DDAARM CC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC000095366264 193434046 /nfs/dbraw/zinc/43/40/46/193434046.db2.gz OPQXNINHOXHTIT-CYBMUJFWSA-N -1 0 314.744 1.769 50 0 DDAARM Cc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000009145156 181603850 /nfs/dbraw/zinc/60/38/50/181603850.db2.gz OQYXXQGHPYZNAE-UHFFFAOYSA-N -1 0 306.347 1.553 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1F ZINC000016842598 182061880 /nfs/dbraw/zinc/06/18/80/182061880.db2.gz LRUVXPLGZUJTQX-UHFFFAOYSA-N -1 0 313.310 1.526 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000020319641 182206310 /nfs/dbraw/zinc/20/63/10/182206310.db2.gz OVGDRRCZHSNRIC-UHFFFAOYSA-N -1 0 301.258 1.198 50 0 DDAARM CCC1C(=O)N=C(SCC(=O)Nc2cc(C)on2)N=C1[O-] ZINC000020191127 182195562 /nfs/dbraw/zinc/19/55/62/182195562.db2.gz NSCPDFMCJPIVPZ-UHFFFAOYSA-N -1 0 310.335 1.065 50 0 DDAARM CC(C)(C)OC(=O)CN(CC(=O)[O-])CC(=O)OC(C)(C)C ZINC000022011983 182303672 /nfs/dbraw/zinc/30/36/72/182303672.db2.gz DEUFNPOTWJNGNL-UHFFFAOYSA-N -1 0 303.355 1.056 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1c[nH]c2cc(Cl)ccc12 ZINC000299751354 304199601 /nfs/dbraw/zinc/19/96/01/304199601.db2.gz QMNHHTWOBNGRIG-CYBMUJFWSA-N -1 0 322.748 1.676 50 0 DDAARM COc1cc(C(=O)NCC(C)(C)C(=O)[O-])cc2c1OCCO2 ZINC000268943928 207108587 /nfs/dbraw/zinc/10/85/87/207108587.db2.gz FYIRZNUNZIVPCS-UHFFFAOYSA-N -1 0 309.318 1.307 50 0 DDAARM C=C1c2ccccc2C(=O)N1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000058418892 184115193 /nfs/dbraw/zinc/11/51/93/184115193.db2.gz DSISVGNSPPILSF-OAHLLOKOSA-N -1 0 302.330 1.688 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(Br)cn1 ZINC000061860253 184190173 /nfs/dbraw/zinc/19/01/73/184190173.db2.gz JOTRLIWUSUXRDU-JTQLQIEISA-N -1 0 313.151 1.923 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1 ZINC000062132433 184207703 /nfs/dbraw/zinc/20/77/03/184207703.db2.gz JVIUQSPZVIUJHT-ZCFIWIBFSA-N -1 0 309.265 1.199 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000062132437 184207736 /nfs/dbraw/zinc/20/77/36/184207736.db2.gz IVTQEZKBRZUZLI-SSDOTTSWSA-N -1 0 307.730 1.574 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)s1 ZINC000262763803 304233168 /nfs/dbraw/zinc/23/31/68/304233168.db2.gz KSJIPGAEJOUZBM-BDAKNGLRSA-N -1 0 308.359 1.330 50 0 DDAARM COc1ccccc1-c1cc(CN2C[C@@H](C(=O)[O-])CC2=O)on1 ZINC000065369996 184329200 /nfs/dbraw/zinc/32/92/00/184329200.db2.gz WLEXBNMUJPSNGZ-JTQLQIEISA-N -1 0 316.313 1.783 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CCOCC2)C1 ZINC000269184922 207306065 /nfs/dbraw/zinc/30/60/65/207306065.db2.gz MKXDKFLOQMHXMP-GFCCVEGCSA-N -1 0 321.348 1.807 50 0 DDAARM COc1cccc(-n2nnc(C(=O)NC(C)(C)C(=O)[O-])c2C)c1 ZINC000065423744 184341688 /nfs/dbraw/zinc/34/16/88/184341688.db2.gz ROUOVKHOLFDOSM-UHFFFAOYSA-N -1 0 318.333 1.177 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cc(-c3cccc(F)c3)no2)C1 ZINC000065454961 184347696 /nfs/dbraw/zinc/34/76/96/184347696.db2.gz CPVFHYYPALQTJL-JTQLQIEISA-N -1 0 304.277 1.914 50 0 DDAARM CCCn1cnnc1CNC(=O)c1ccccc1NCC(=O)[O-] ZINC000065461492 184348923 /nfs/dbraw/zinc/34/89/23/184348923.db2.gz RPCIKLDQEBEHFD-UHFFFAOYSA-N -1 0 317.349 1.115 50 0 DDAARM CCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000269204423 207324240 /nfs/dbraw/zinc/32/42/40/207324240.db2.gz SSXIWRYOLYQLHG-LLVKDONJSA-N -1 0 311.359 1.027 50 0 DDAARM COc1ccccc1[C@H](C)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299748939 533000312 /nfs/dbraw/zinc/00/03/12/533000312.db2.gz IOAAARSFMNEHAB-RISCZKNCSA-N -1 0 307.346 1.501 50 0 DDAARM Cc1ccc(N2CCC(C(=O)N(C)[C@@H](C)C(=O)[O-])CC2)nc1 ZINC000366323752 257234929 /nfs/dbraw/zinc/23/49/29/257234929.db2.gz AIRGVKDVDBASJK-LBPRGKRZSA-N -1 0 305.378 1.538 50 0 DDAARM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc2c(c1)OCO2 ZINC000299753592 533284389 /nfs/dbraw/zinc/28/43/89/533284389.db2.gz YSOWRSONPSJCQE-SECBINFHSA-N -1 0 314.297 2.000 50 0 DDAARM O=C([O-])C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000091177 406620248 /nfs/dbraw/zinc/62/02/48/406620248.db2.gz AISZJTPLQRGKDX-UHFFFAOYSA-N -1 0 315.366 1.995 50 0 DDAARM O=C([O-])c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000002841554 406703529 /nfs/dbraw/zinc/70/35/29/406703529.db2.gz SZXYUCMJXHGNGH-UHFFFAOYSA-N -1 0 317.322 1.730 50 0 DDAARM O=c1[n-]c(=O)c(SCc2cn3cc(Cl)ccc3n2)n[nH]1 ZINC000002638341 406694411 /nfs/dbraw/zinc/69/44/11/406694411.db2.gz YNDDWMJZDCBSAR-UHFFFAOYSA-N -1 0 309.738 1.052 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c[nH]1 ZINC000006887851 406741426 /nfs/dbraw/zinc/74/14/26/406741426.db2.gz NDUOEUFEOYTECK-UHFFFAOYSA-N -1 0 324.314 1.331 50 0 DDAARM CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000008756647 406795664 /nfs/dbraw/zinc/79/56/64/406795664.db2.gz KCTRFBPFYBLQNL-LLVKDONJSA-N -1 0 311.359 1.169 50 0 DDAARM Cc1cccc(NC(=O)C[C@H](C(=O)[O-])[NH+]2CCN(C)CC2)c1C ZINC000022584952 406889927 /nfs/dbraw/zinc/88/99/27/406889927.db2.gz BGNNUDZFQQLPNS-OAHLLOKOSA-N -1 0 319.405 1.333 50 0 DDAARM C[C@H]1CN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CCCO1 ZINC000077385996 406987403 /nfs/dbraw/zinc/98/74/03/406987403.db2.gz YKPSTDTZXLXRCM-NSHDSACASA-N -1 0 314.345 1.852 50 0 DDAARM CC(C)C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000049546295 407122882 /nfs/dbraw/zinc/12/28/82/407122882.db2.gz PXMOFKLSGOOJRU-ZDUSSCGKSA-N -1 0 317.345 1.012 50 0 DDAARM COc1ncccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000047521245 407074664 /nfs/dbraw/zinc/07/46/64/407074664.db2.gz YIZWZTFSTCNIOL-UHFFFAOYSA-N -1 0 322.371 1.896 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1oc2ccc(OC)cc2c1C ZINC000089568191 407140375 /nfs/dbraw/zinc/14/03/75/407140375.db2.gz QSPOXFJNVOYTLJ-UHFFFAOYSA-N -1 0 321.329 1.923 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cccn3ncnc23)cc1 ZINC000065284059 407242117 /nfs/dbraw/zinc/24/21/17/407242117.db2.gz KIHKMGBTEHAAAQ-UHFFFAOYSA-N -1 0 304.331 1.539 50 0 DDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1Cl ZINC000101675332 407314126 /nfs/dbraw/zinc/31/41/26/407314126.db2.gz LPFKTOJLLWHOJA-SECBINFHSA-N -1 0 307.697 1.319 50 0 DDAARM CC(C)c1nc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)no1 ZINC000067834106 407286453 /nfs/dbraw/zinc/28/64/53/407286453.db2.gz HYNNBPPUTSZDKM-SNVBAGLBSA-N -1 0 320.353 1.399 50 0 DDAARM CCc1[nH]nc2c1CN(Cc1cnn(CCC(=O)[O-])c1)CC2 ZINC000097553354 407299972 /nfs/dbraw/zinc/29/99/72/407299972.db2.gz ODOWAMOBXYILNU-UHFFFAOYSA-N -1 0 303.366 1.202 50 0 DDAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1C1(c2ccccc2)CC1 ZINC000097631964 407300591 /nfs/dbraw/zinc/30/05/91/407300591.db2.gz YNRBFMKJKXRKFJ-LBPRGKRZSA-N -1 0 313.357 1.947 50 0 DDAARM C[C@H](CN(C)C(=O)CCc1ccc(F)cc1F)c1nnn[n-]1 ZINC000124248993 407352733 /nfs/dbraw/zinc/35/27/33/407352733.db2.gz SLRDCSRRMHCTCK-SECBINFHSA-N -1 0 309.320 1.673 50 0 DDAARM C[C@@H]1CN(C(=O)CN(CC(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC000034926609 296809557 /nfs/dbraw/zinc/80/95/57/296809557.db2.gz UGMWZAXHBOMSIQ-CHWSQXEVSA-N -1 0 306.362 1.213 50 0 DDAARM O=C([O-])c1ccc(F)c(NS(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000265867411 407489898 /nfs/dbraw/zinc/48/98/98/407489898.db2.gz ITYXHEDJOMHNFZ-JTQLQIEISA-N -1 0 317.338 1.835 50 0 DDAARM Nc1n[nH]c(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000217725658 407508801 /nfs/dbraw/zinc/50/88/01/407508801.db2.gz FWBJQBXIHGRHSO-MRVPVSSYSA-N -1 0 308.725 1.591 50 0 DDAARM CC(C)NC(=O)CCNC(=O)C[C@H](CC(=O)[O-])c1ccccc1 ZINC000226750087 407623281 /nfs/dbraw/zinc/62/32/81/407623281.db2.gz GJVCFRFMBBWACT-CQSZACIVSA-N -1 0 320.389 1.666 50 0 DDAARM O=C([O-])CCC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000116344118 407746682 /nfs/dbraw/zinc/74/66/82/407746682.db2.gz MBTYIHISEVMLFZ-UHFFFAOYSA-N -1 0 312.316 1.587 50 0 DDAARM COc1ccc(-c2cncc(C(=O)N(C)CC(=O)[O-])c2)cc1 ZINC000153132921 407760615 /nfs/dbraw/zinc/76/06/15/407760615.db2.gz ALMKPNFZIANSFI-UHFFFAOYSA-N -1 0 300.314 1.914 50 0 DDAARM COc1ncccc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237121480 407796650 /nfs/dbraw/zinc/79/66/50/407796650.db2.gz XWDPVNUTSFKXCS-CQSZACIVSA-N -1 0 312.325 1.742 50 0 DDAARM CS(=O)(=O)C1(C(=O)Nc2cccc(C(=O)[O-])c2)CCCC1 ZINC000262425832 407832120 /nfs/dbraw/zinc/83/21/20/407832120.db2.gz DGUCMHNUUZUQPF-UHFFFAOYSA-N -1 0 311.359 1.681 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 ZINC000238087145 407887336 /nfs/dbraw/zinc/88/73/36/407887336.db2.gz SPSWZPMLFURDEP-LBPRGKRZSA-N -1 0 300.314 1.817 50 0 DDAARM O=C([O-])[C@H]1CCCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC000238092059 407888916 /nfs/dbraw/zinc/88/89/16/407888916.db2.gz DHMMKOWPFCBSGU-CQSZACIVSA-N -1 0 302.374 1.383 50 0 DDAARM Cc1ocnc1C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000262937522 407977127 /nfs/dbraw/zinc/97/71/27/407977127.db2.gz GKLGLUOPFTWIBS-CYBMUJFWSA-N -1 0 302.286 1.474 50 0 DDAARM CC(C)c1nc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])co1 ZINC000244852635 407940903 /nfs/dbraw/zinc/94/09/03/407940903.db2.gz UWBGWVNHYOYENE-LBPRGKRZSA-N -1 0 321.377 1.353 50 0 DDAARM COc1cc(CCC(=O)NC2(C(=O)[O-])CCOCC2)ccc1C ZINC000244852512 407942018 /nfs/dbraw/zinc/94/20/18/407942018.db2.gz UTTAHYYDXOCKEK-UHFFFAOYSA-N -1 0 321.373 1.686 50 0 DDAARM CCc1ncc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)s1 ZINC000263105229 408027387 /nfs/dbraw/zinc/02/73/87/408027387.db2.gz KNPQCBKYJAPJNK-HTQZYQBOSA-N -1 0 304.393 1.047 50 0 DDAARM CS(=O)(=O)CCN(C(=O)c1ccc(C(=O)[O-])cc1)C1CC1 ZINC000263393327 408127881 /nfs/dbraw/zinc/12/78/81/408127881.db2.gz FAINCOYKJBUXKK-UHFFFAOYSA-N -1 0 311.359 1.034 50 0 DDAARM Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])ccc1-n1cncn1 ZINC000263446667 408140462 /nfs/dbraw/zinc/14/04/62/408140462.db2.gz NJSYPZOBKZGICZ-INIZCTEOSA-N -1 0 314.345 1.655 50 0 DDAARM Cc1nc([C@H](NC(=O)[C@@H](C)C(=O)[O-])c2ccc(Cl)cc2)no1 ZINC000263560814 408175483 /nfs/dbraw/zinc/17/54/83/408175483.db2.gz RIEZCHHYDYIDAY-RDDDGLTNSA-N -1 0 323.736 1.958 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000191566008 408447312 /nfs/dbraw/zinc/44/73/12/408447312.db2.gz UGWXXQIIBBNCHE-ZJUUUORDSA-N -1 0 322.748 1.891 50 0 DDAARM COc1cccc2cc(C(=O)Nc3[n-]c(=O)ncc3F)oc21 ZINC000170088473 408820204 /nfs/dbraw/zinc/82/02/04/408820204.db2.gz JHCPTIKKLDYZFE-UHFFFAOYSA-N -1 0 303.249 1.916 50 0 DDAARM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)nn1 ZINC000263009121 163903580 /nfs/dbraw/zinc/90/35/80/163903580.db2.gz LKPHBHIPUUXASO-AWEZNQCLSA-N -1 0 315.329 1.658 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000263374449 163958486 /nfs/dbraw/zinc/95/84/86/163958486.db2.gz ZXOWTGCLTNXFSE-LSDHHAIUSA-N -1 0 319.357 1.506 50 0 DDAARM CC(C)c1cccc(OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000320878423 164043063 /nfs/dbraw/zinc/04/30/63/164043063.db2.gz BIJFPBWIYQUYAO-OAHLLOKOSA-N -1 0 321.373 1.891 50 0 DDAARM O=C([O-])C1(NC(=O)CCNC(=O)c2ccccc2F)CCCC1 ZINC000299785761 410629171 /nfs/dbraw/zinc/62/91/71/410629171.db2.gz NLICGBWTMRPHSX-UHFFFAOYSA-N -1 0 322.336 1.459 50 0 DDAARM COc1ccc2nc(C(=O)N3CC[C@H](C(=O)[O-])C3)ccc2c1 ZINC000178261874 221860620 /nfs/dbraw/zinc/86/06/20/221860620.db2.gz BCCMEAWTELDADX-NSHDSACASA-N -1 0 300.314 1.790 50 0 DDAARM CC[C@@H](C)C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000049514605 418478443 /nfs/dbraw/zinc/47/84/43/418478443.db2.gz FWWYFESKVPIIQX-MRVPVSSYSA-N -1 0 315.782 1.839 50 0 DDAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(C)cn3)cc12 ZINC000069674946 418487529 /nfs/dbraw/zinc/48/75/29/418487529.db2.gz IPKZALYAIGBUCU-UHFFFAOYSA-N -1 0 317.374 1.781 50 0 DDAARM CN1C(=O)C(=C([O-])c2cc3c(s2)CCCC3)C(=O)N(C)C1=O ZINC000103501986 418496778 /nfs/dbraw/zinc/49/67/78/418496778.db2.gz LDYNHLNXLYJEIA-UHFFFAOYSA-N -1 0 320.370 1.476 50 0 DDAARM Cc1ccc(OCC(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000408513301 418806420 /nfs/dbraw/zinc/80/64/20/418806420.db2.gz NGVVYBBBLCVWEV-UHFFFAOYSA-N -1 0 321.373 1.856 50 0 DDAARM CCC(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC000408517448 418806764 /nfs/dbraw/zinc/80/67/64/418806764.db2.gz JGUOBLMRQLFFOM-NKWVEPMBSA-N -1 0 320.233 1.997 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CCO1 ZINC000426492725 419487016 /nfs/dbraw/zinc/48/70/16/419487016.db2.gz APUJUHODNYLUKY-GFCCVEGCSA-N -1 0 301.302 1.002 50 0 DDAARM COC[C@@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1ccccn1 ZINC000426712620 228597391 /nfs/dbraw/zinc/59/73/91/228597391.db2.gz KFJVAPJRPINBNT-GFCCVEGCSA-N -1 0 317.345 1.842 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2ccc(-n3cccn3)cc2)CCSC1 ZINC000299741349 229376138 /nfs/dbraw/zinc/37/61/38/229376138.db2.gz FDSDPTHILSVYCW-OAHLLOKOSA-N -1 0 317.370 1.562 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])c(OC)c1 ZINC000492178151 421209669 /nfs/dbraw/zinc/20/96/69/421209669.db2.gz CHZYMPMGLMSFBP-AGLBCWCQSA-N -1 0 321.329 1.029 50 0 DDAARM CC(=O)N1CSC[C@@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000299740493 278061289 /nfs/dbraw/zinc/06/12/89/278061289.db2.gz BDGSOABPXUEFGV-CYBMUJFWSA-N -1 0 322.386 1.021 50 0 DDAARM Cc1[n-]n(C)c(=O)c1C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000121710005 281699119 /nfs/dbraw/zinc/69/91/19/281699119.db2.gz PNZUYLONGPZBIT-SNVBAGLBSA-N -1 0 315.358 1.608 50 0 DDAARM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000015443598 297077610 /nfs/dbraw/zinc/07/76/10/297077610.db2.gz KUHMXFFFEAEMPI-AOOOYVTPSA-N -1 0 313.375 1.402 50 0 DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2cnccn2)c(OC)n1 ZINC000095373262 295202826 /nfs/dbraw/zinc/20/28/26/295202826.db2.gz PIPQUFSIKKWEOI-ZDUSSCGKSA-N -1 0 318.333 1.147 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000299747584 295317904 /nfs/dbraw/zinc/31/79/04/295317904.db2.gz DGSYVWGPDPCRMH-MELADBBJSA-N -1 0 305.330 1.111 50 0 DDAARM CS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000040162623 295558813 /nfs/dbraw/zinc/55/88/13/295558813.db2.gz XMXMOUZKMCJVNW-GFCCVEGCSA-N -1 0 311.359 1.169 50 0 DDAARM C[C@]1(C(=O)NCCC(=O)[O-])CS[C@@H]2c3ccccc3C(=O)N21 ZINC000036576443 300762109 /nfs/dbraw/zinc/76/21/09/300762109.db2.gz LHWYLFQJRUVDCM-UKRRQHHQSA-N -1 0 320.370 1.237 50 0 DDAARM Cn1nc(C2CC2)c2c1NC(=O)C[C@@H]2c1c[nH]nc1C(=O)[O-] ZINC000067675857 303043303 /nfs/dbraw/zinc/04/33/03/303043303.db2.gz PKIWDYXFIPDIFI-SSDOTTSWSA-N -1 0 301.306 1.193 50 0 DDAARM CC1(c2nc(=NC(=O)[C@H]3CCc4nccn4C3)s[n-]2)CC1 ZINC000529704852 303145962 /nfs/dbraw/zinc/14/59/62/303145962.db2.gz SPHJZSDIKVSADT-VIFPVBQESA-N -1 0 303.391 1.409 50 0 DDAARM CCc1cc2c(ncnc2N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)s1 ZINC000662895837 484527250 /nfs/dbraw/zinc/52/72/50/484527250.db2.gz HNLRRBMRKSTVJN-WHGOUJPWSA-N -1 0 307.375 1.890 50 0 DDAARM Cc1oc(CNC(=O)[C@H](C)OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299750748 534544619 /nfs/dbraw/zinc/54/46/19/534544619.db2.gz OGIWKELWOUGWMK-WDEREUQCSA-N -1 0 311.334 1.487 50 0 DDAARM Cc1cncnc1C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000426538458 534715137 /nfs/dbraw/zinc/71/51/37/534715137.db2.gz TWQZHQJUSQXVIT-UONOGXRCSA-N -1 0 317.389 1.992 50 0 DDAARM O=C([O-])CNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000886024596 708683640 /nfs/dbraw/zinc/68/36/40/708683640.db2.gz MGZNARUUAGGYNN-UHFFFAOYSA-N -1 0 307.737 1.974 50 0 DDAARM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)n(C)n1 ZINC000952993507 721534240 /nfs/dbraw/zinc/53/42/40/721534240.db2.gz YPMTYQKQHLBMJS-UHFFFAOYSA-N -1 0 323.374 1.624 50 0 DDAARM O=S(=O)([N-]c1ccc[n+]([O-])c1)c1ccc2c(c1)CCCC2 ZINC000585118753 771951683 /nfs/dbraw/zinc/95/16/83/771951683.db2.gz ANLOVIJRONDCGZ-UHFFFAOYSA-N -1 0 304.371 2.000 50 0 DDAARM C[C@@H](NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1)c1cc[nH]c(=O)c1 ZINC000263120369 539275959 /nfs/dbraw/zinc/27/59/59/539275959.db2.gz CGYDYVCGYKGMSB-FOGDFJRCSA-N -1 0 307.350 1.600 50 0 DDAARM O=C(N=c1[n-]nc2n1CCCC2)c1ccc(OC(F)F)cn1 ZINC000358148992 299089153 /nfs/dbraw/zinc/08/91/53/299089153.db2.gz DSSVEVRGDOEHNX-UHFFFAOYSA-N -1 0 309.276 1.285 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000095424102 185361422 /nfs/dbraw/zinc/36/14/22/185361422.db2.gz YRTRKRIRCSHARC-LLVKDONJSA-N -1 0 317.320 1.948 50 0 DDAARM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)[O-])nn1 ZINC000585139357 539556862 /nfs/dbraw/zinc/55/68/62/539556862.db2.gz LYPFZZQDYJCBLX-KOLCDFICSA-N -1 0 310.354 1.985 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(C)c2C)C1 ZINC000685940932 539564038 /nfs/dbraw/zinc/56/40/38/539564038.db2.gz KUPRYSBTBOQIJO-JSGCOSHPSA-N -1 0 318.373 1.355 50 0 DDAARM O=C([O-])CC1(CC(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)CCC1 ZINC000685944370 539567609 /nfs/dbraw/zinc/56/76/09/539567609.db2.gz UEFCSUJXMCUZKL-VXGBXAGGSA-N -1 0 311.378 1.068 50 0 DDAARM CCOCC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000072231652 191078033 /nfs/dbraw/zinc/07/80/33/191078033.db2.gz FECUITUQMMOVMI-LLVKDONJSA-N -1 0 311.334 1.372 50 0 DDAARM C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000237452274 186291771 /nfs/dbraw/zinc/29/17/71/186291771.db2.gz NSGGPHUXWHGLMV-PWSUYJOCSA-N -1 0 322.336 1.267 50 0 DDAARM C[C@@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237456254 186292321 /nfs/dbraw/zinc/29/23/21/186292321.db2.gz IQYCAIWOYCXGAV-QMTHXVAHSA-N -1 0 303.314 1.848 50 0 DDAARM C[C@@H](NC=C1C(=O)[N-]C(=O)NC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000024979787 352193266 /nfs/dbraw/zinc/19/32/66/352193266.db2.gz OIRWQMMHOIBCHD-RODOAYEJSA-N -1 0 317.389 1.431 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)Cc2ccsc2)CC1 ZINC000072428104 191161085 /nfs/dbraw/zinc/16/10/85/191161085.db2.gz GWWBROGICZQURT-UHFFFAOYSA-N -1 0 319.386 1.590 50 0 DDAARM Cc1nc(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)c(C)o1 ZINC000072473057 191176230 /nfs/dbraw/zinc/17/62/30/191176230.db2.gz VMJRBLFPBKNYCK-UHFFFAOYSA-N -1 0 318.333 1.204 50 0 DDAARM CC(C)OCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000139216816 354126045 /nfs/dbraw/zinc/12/60/45/354126045.db2.gz OMBDUWNWYSAEAB-CQSZACIVSA-N -1 0 304.346 1.705 50 0 DDAARM COc1ccc([C@H]2SC[C@H](C(=O)[O-])N2C(C)=O)cc1OC ZINC000004421500 181109327 /nfs/dbraw/zinc/10/93/27/181109327.db2.gz JVXRTJGUSUROLQ-ZWNOBZJWSA-N -1 0 311.359 1.751 50 0 DDAARM CCC[C@H](NC(=O)C[C@H](c1nccn1C)C(F)(F)F)C(=O)[O-] ZINC000585134752 354811964 /nfs/dbraw/zinc/81/19/64/354811964.db2.gz IXIJZQKHWWGOSA-BDAKNGLRSA-N -1 0 321.299 1.826 50 0 DDAARM CCNc1ccccc1S(=O)(=O)[N-]C(=O)CCOCC ZINC000585135801 354812093 /nfs/dbraw/zinc/81/20/93/354812093.db2.gz CBQBSASEGMCSCQ-UHFFFAOYSA-N -1 0 300.380 1.350 50 0 DDAARM Cc1ccc(O)c(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])c1 ZINC000004939792 181175886 /nfs/dbraw/zinc/17/58/86/181175886.db2.gz FCDFWWDHYRAGLG-CYBMUJFWSA-N -1 0 318.329 1.865 50 0 DDAARM C[C@@H](CCc1cccn1C)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000237354848 202240852 /nfs/dbraw/zinc/24/08/52/202240852.db2.gz XPIIRYYVWYMTDD-NSHDSACASA-N -1 0 301.346 1.869 50 0 DDAARM C[C@H](Cc1ccccc1F)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237558474 202283783 /nfs/dbraw/zinc/28/37/83/202283783.db2.gz WRNOWCNKQRIEQW-YPMHNXCESA-N -1 0 309.337 1.706 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000237659279 202320325 /nfs/dbraw/zinc/32/03/25/202320325.db2.gz BZTZVRGUKUCFFQ-OAHLLOKOSA-N -1 0 300.318 1.204 50 0 DDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1-n1cncn1 ZINC000237712609 202335210 /nfs/dbraw/zinc/33/52/10/202335210.db2.gz PYJCGYSKNAZNLU-UHFFFAOYSA-N -1 0 314.345 1.703 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000237804296 202359048 /nfs/dbraw/zinc/35/90/48/202359048.db2.gz HRBKRYDRTSPGKH-UHFFFAOYSA-N -1 0 300.318 1.265 50 0 DDAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)C1CC1 ZINC000238077672 202435759 /nfs/dbraw/zinc/43/57/59/202435759.db2.gz DAXSIHRIKLVLJT-LLVKDONJSA-N -1 0 306.293 1.327 50 0 DDAARM O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000095399988 304107432 /nfs/dbraw/zinc/10/74/32/304107432.db2.gz NAAMMCVMDYTXQH-VXGBXAGGSA-N -1 0 306.318 1.897 50 0 DDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000194550523 201249467 /nfs/dbraw/zinc/24/94/67/201249467.db2.gz YZRNCBMEYPQQLP-UWVGGRQHSA-N -1 0 324.343 1.763 50 0 DDAARM CC(C)C[C@H](NS(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000006661780 181367295 /nfs/dbraw/zinc/36/72/95/181367295.db2.gz PDNPWMHSGMJTDV-VIFPVBQESA-N -1 0 313.335 1.000 50 0 DDAARM CCOc1cncc(CN=c2[n-]c(-c3nccn3C)no2)c1 ZINC000622001675 365179843 /nfs/dbraw/zinc/17/98/43/365179843.db2.gz DCVMDKSTHYTGEG-UHFFFAOYSA-N -1 0 300.322 1.298 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C(=O)[O-] ZINC000091452418 193058695 /nfs/dbraw/zinc/05/86/95/193058695.db2.gz CLUUXMKDGNESKC-DGCLKSJQSA-N -1 0 301.346 1.907 50 0 DDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CN(C)Cc2cccnc2)C1 ZINC000091586313 193075915 /nfs/dbraw/zinc/07/59/15/193075915.db2.gz WKFOLKHGYAOWIO-QGZVFWFLSA-N -1 0 319.405 1.617 50 0 DDAARM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262149394 203212060 /nfs/dbraw/zinc/21/20/60/203212060.db2.gz OILIGJYOAYSEBV-ZJUUUORDSA-N -1 0 315.322 1.030 50 0 DDAARM COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000262084738 203194309 /nfs/dbraw/zinc/19/43/09/203194309.db2.gz HHINTXGABOKJEE-MVWJERBFSA-N -1 0 307.346 1.910 50 0 DDAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@H]1CCCCO1 ZINC000262483201 203305964 /nfs/dbraw/zinc/30/59/64/203305964.db2.gz YETBNRDKYMAMSX-CQSZACIVSA-N -1 0 307.346 1.678 50 0 DDAARM CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000095976710 193471324 /nfs/dbraw/zinc/47/13/24/193471324.db2.gz RHLCFVGNKDNQKG-AWEZNQCLSA-N -1 0 318.373 1.763 50 0 DDAARM Cc1noc(C)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000009550308 181629147 /nfs/dbraw/zinc/62/91/47/181629147.db2.gz XKOCENJLVYZYFK-CQSZACIVSA-N -1 0 302.330 1.646 50 0 DDAARM COc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000013132266 181832150 /nfs/dbraw/zinc/83/21/50/181832150.db2.gz DGWNIRKQZHUQNB-VMUDFCTBSA-N -1 0 315.325 1.062 50 0 DDAARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000016527350 182049131 /nfs/dbraw/zinc/04/91/31/182049131.db2.gz YSMDAJPTRIXGFE-UHFFFAOYSA-N -1 0 312.372 1.286 50 0 DDAARM O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000016893631 182062196 /nfs/dbraw/zinc/06/21/96/182062196.db2.gz BRJYOLARVAXBNQ-ZDUSSCGKSA-N -1 0 313.309 1.841 50 0 DDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000013321009 304174268 /nfs/dbraw/zinc/17/42/68/304174268.db2.gz MYYRWUZHEGZZRY-PQAZSJQKSA-N -1 0 323.389 1.489 50 0 DDAARM CC(C)CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000017172661 182078546 /nfs/dbraw/zinc/07/85/46/182078546.db2.gz JUXJKGSOCHSBHC-UHFFFAOYSA-N -1 0 305.403 1.998 50 0 DDAARM NC(=O)c1ccsc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017056018 182073391 /nfs/dbraw/zinc/07/33/91/182073391.db2.gz VFBOXGLFJANVJU-SLDGDWOWSA-N -1 0 322.386 1.923 50 0 DDAARM Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000037462519 182896576 /nfs/dbraw/zinc/89/65/76/182896576.db2.gz AKESAKJUKMTKNA-SNVBAGLBSA-N -1 0 301.339 1.619 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)COC[C@H]1CCCO1 ZINC000299749593 304206281 /nfs/dbraw/zinc/20/62/81/304206281.db2.gz KXUYCBFKGCFZMK-HUUCEWRRSA-N -1 0 319.357 1.220 50 0 DDAARM C[C@H]1CCc2sc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2C1 ZINC000043702303 183381871 /nfs/dbraw/zinc/38/18/71/183381871.db2.gz XYTVADQQOPZADS-GXSJLCMTSA-N -1 0 309.387 1.799 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)NCc3ccoc3)cc2[n-]c1=S ZINC000103528035 193943658 /nfs/dbraw/zinc/94/36/58/193943658.db2.gz SQFOPQBQQAFXTB-UHFFFAOYSA-N -1 0 315.354 1.745 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCOc1ccc(Cl)cc1 ZINC000268963798 207127695 /nfs/dbraw/zinc/12/76/95/207127695.db2.gz BIMCPSXFMYGGTH-LBPRGKRZSA-N -1 0 313.737 1.421 50 0 DDAARM CC[C@@]1(c2ccc(OC)c(C)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842185 184056593 /nfs/dbraw/zinc/05/65/93/184056593.db2.gz PCYLZKLKJWMXNB-HNNXBMFYSA-N -1 0 306.318 1.245 50 0 DDAARM O=C([O-])c1cn([C@@H]2CCCN(C(=O)c3ccsc3)C2)nn1 ZINC000567970120 304256717 /nfs/dbraw/zinc/25/67/17/304256717.db2.gz IDOHAVIFGGWSDV-SNVBAGLBSA-N -1 0 306.347 1.515 50 0 DDAARM O=C([O-])c1cnc(N2CCCn3nc(CO)cc3C2)c(Cl)c1 ZINC000216959428 304277614 /nfs/dbraw/zinc/27/76/14/304277614.db2.gz KHFRVJMBUPAZOW-UHFFFAOYSA-N -1 0 322.752 1.532 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCn1ccc2ccccc21 ZINC000268982326 257257007 /nfs/dbraw/zinc/25/70/07/257257007.db2.gz NNYNRDRCMFKPRW-CQSZACIVSA-N -1 0 302.330 1.343 50 0 DDAARM O=C([O-])c1nccnc1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000032103762 304284039 /nfs/dbraw/zinc/28/40/39/304284039.db2.gz FRGJOSTUOMTDEH-UHFFFAOYSA-N -1 0 322.324 1.855 50 0 DDAARM COc1ccc2c(c1)OCC(C(=O)N1CC[C@@H](C(=O)[O-])C1)=C2 ZINC000299740773 533279663 /nfs/dbraw/zinc/27/96/63/533279663.db2.gz BRYFSLYITFRSAI-LLVKDONJSA-N -1 0 303.314 1.404 50 0 DDAARM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000140442 406623619 /nfs/dbraw/zinc/62/36/19/406623619.db2.gz DSGNZBNOZKLUII-UHFFFAOYSA-N -1 0 320.374 1.872 50 0 DDAARM O=C([O-])c1ccccc1C(=O)N1CCN(c2ncccn2)CC1 ZINC000000157237 406625541 /nfs/dbraw/zinc/62/55/41/406625541.db2.gz ZBSXVCICMBDFDT-UHFFFAOYSA-N -1 0 312.329 1.137 50 0 DDAARM Cc1onc(NC(=O)CSCC(=O)[O-])c1Br ZINC000000154735 406627295 /nfs/dbraw/zinc/62/72/95/406627295.db2.gz CMJFFJICEDWDAG-UHFFFAOYSA-N -1 0 309.141 1.502 50 0 DDAARM COc1ccc(OC)c(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c1 ZINC000000974443 406661666 /nfs/dbraw/zinc/66/16/66/406661666.db2.gz KYHORNNRNRLTHM-WDZFZDKYSA-N -1 0 323.326 1.825 50 0 DDAARM Cc1c2cc(F)ccc2oc1[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]1 ZINC000069571499 406736580 /nfs/dbraw/zinc/73/65/80/406736580.db2.gz FVQUOJQYUXFUCC-SSDOTTSWSA-N -1 0 304.281 1.783 50 0 DDAARM O=c1ccc(-c2ccc(S(=O)(=O)[N-]c3ccccc3)o2)n[nH]1 ZINC000006887564 406741022 /nfs/dbraw/zinc/74/10/22/406741022.db2.gz OIIGGJITKCJUPA-UHFFFAOYSA-N -1 0 317.326 1.831 50 0 DDAARM CC(C)=CCC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000004028931 406721063 /nfs/dbraw/zinc/72/10/63/406721063.db2.gz AYRGGDSIYYYSRA-BAHXQUAYSA-N -1 0 305.374 1.988 50 0 biogenic DDAARM Cc1cc(=O)n2nc(C(=O)Nc3ccc4c(c3)OCO4)[n-]c2n1 ZINC000009575884 406811075 /nfs/dbraw/zinc/81/10/75/406811075.db2.gz IPXLTUDJVJBFJN-UHFFFAOYSA-N -1 0 313.273 1.119 50 0 DDAARM CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071287106 406837854 /nfs/dbraw/zinc/83/78/54/406837854.db2.gz QWUIFOKBXKBJLT-NWDGAFQWSA-N -1 0 320.345 1.350 50 0 DDAARM COc1ccc(CCC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000071422111 406838739 /nfs/dbraw/zinc/83/87/39/406838739.db2.gz MWPOWPBEJSITOE-UHFFFAOYSA-N -1 0 307.346 1.066 50 0 DDAARM Cn1ccc([N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000012535994 406846463 /nfs/dbraw/zinc/84/64/63/406846463.db2.gz ZKZSMSMDPFNLHZ-UHFFFAOYSA-N -1 0 316.180 1.983 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000034926340 406965693 /nfs/dbraw/zinc/96/56/93/406965693.db2.gz WROYMWVTBFJMGA-STQMWFEESA-N -1 0 303.362 1.087 50 0 DDAARM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000048991463 407113168 /nfs/dbraw/zinc/11/31/68/407113168.db2.gz WMTIQVOILKSHRB-UHFFFAOYSA-N -1 0 309.347 1.614 50 0 DDAARM Cc1nc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c[nH]1 ZINC000089497040 407138076 /nfs/dbraw/zinc/13/80/76/407138076.db2.gz HDKFIDOYYCIYFW-UHFFFAOYSA-N -1 0 305.315 1.625 50 0 DDAARM CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1C(=O)[O-] ZINC000095973613 407219352 /nfs/dbraw/zinc/21/93/52/407219352.db2.gz WKBFSZKPTCQDGZ-QWRGUYRKSA-N -1 0 312.391 1.627 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2ccccc2N2CCOC2=O)cn1 ZINC000058343438 407220937 /nfs/dbraw/zinc/22/09/37/407220937.db2.gz SBSYKVZHKYRTHK-UHFFFAOYSA-N -1 0 322.346 1.178 50 0 DDAARM CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2nnn[n-]2)cc1 ZINC000063881889 407236430 /nfs/dbraw/zinc/23/64/30/407236430.db2.gz QLCJTNNNLYKXHQ-SECBINFHSA-N -1 0 303.322 1.049 50 0 DDAARM CCc1cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])ccn1 ZINC000096139090 407239412 /nfs/dbraw/zinc/23/94/12/407239412.db2.gz NHPIZQOMXGCXBZ-ZDUSSCGKSA-N -1 0 300.318 1.019 50 0 DDAARM COc1ccc(-c2n[nH]cc2CN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000067842414 407287610 /nfs/dbraw/zinc/28/76/10/407287610.db2.gz BDTHKOKAOSWFEN-LLVKDONJSA-N -1 0 315.329 1.518 50 0 DDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=N)NC1=O ZINC000101618001 407313172 /nfs/dbraw/zinc/31/31/72/407313172.db2.gz ISFSSOHPPFGYKX-QBQSQJOESA-N -1 0 300.343 1.707 50 0 DDAARM C[C@@H](CN(C)C(=O)Cc1cc(F)c(F)cc1F)c1nnn[n-]1 ZINC000124700341 407366362 /nfs/dbraw/zinc/36/63/62/407366362.db2.gz WYLANDYNHAZASO-ZETCQYMHSA-N -1 0 313.283 1.422 50 0 DDAARM CNC(=O)c1cnc(C=Cc2ccc3ccccc3n2)[nH]c1=O ZINC000221787282 407551074 /nfs/dbraw/zinc/55/10/74/407551074.db2.gz JIBGPHJQONUPIW-HJWRWDBZSA-N -1 0 306.325 1.848 50 0 DDAARM Cn1cccc1C(=O)[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000221828504 407550185 /nfs/dbraw/zinc/55/01/85/407550185.db2.gz YBLJNKPHBJXLBC-NTMALXAHSA-N -1 0 308.334 1.895 50 0 DDAARM COc1ccc(N(CCCC(=O)[O-])S(C)(=O)=O)cc1Cl ZINC000226087097 407614671 /nfs/dbraw/zinc/61/46/71/407614671.db2.gz PXCDIQZPPZAHCV-UHFFFAOYSA-N -1 0 321.782 1.979 50 0 DDAARM Cc1cc(CNC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)n(C)n1 ZINC000226748843 407623705 /nfs/dbraw/zinc/62/37/05/407623705.db2.gz QGIMJPWLLKGLRF-AWEZNQCLSA-N -1 0 315.373 1.993 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000237957691 407853107 /nfs/dbraw/zinc/85/31/07/407853107.db2.gz UMMRMQPDFXTXNP-ZETCQYMHSA-N -1 0 318.192 1.986 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1cc(-c2ccccc2)nn1 ZINC000238033635 407873613 /nfs/dbraw/zinc/87/36/13/407873613.db2.gz NXRPQOHCVMUENU-AWEZNQCLSA-N -1 0 314.345 1.411 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000238084900 407887479 /nfs/dbraw/zinc/88/74/79/407887479.db2.gz VSXSDAXITJHOEJ-CYBMUJFWSA-N -1 0 312.329 1.909 50 0 DDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1n[nH]c2ccccc21 ZINC000238095140 407890122 /nfs/dbraw/zinc/89/01/22/407890122.db2.gz PHVOSLPANRKCEV-NSHDSACASA-N -1 0 317.345 1.659 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000238101129 407891116 /nfs/dbraw/zinc/89/11/16/407891116.db2.gz VCBMDEZMYBBUJY-LBPRGKRZSA-N -1 0 302.330 1.360 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc2c(c1)CCC2)C1CCOCC1 ZINC000238113789 407892552 /nfs/dbraw/zinc/89/25/52/407892552.db2.gz KNJNQTFSGFSVLQ-UHFFFAOYSA-N -1 0 303.358 1.881 50 0 DDAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000262694174 407899846 /nfs/dbraw/zinc/89/98/46/407899846.db2.gz ASZKAFUKRQRKOZ-MRXNPFEDSA-N -1 0 317.320 1.570 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)c(F)c1 ZINC000242047850 407913436 /nfs/dbraw/zinc/91/34/36/407913436.db2.gz VQQBCUPPKMKDHS-UHFFFAOYSA-N -1 0 303.340 1.795 50 0 DDAARM CN(C)c1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ncn1 ZINC000263025707 408006236 /nfs/dbraw/zinc/00/62/36/408006236.db2.gz JTOQRHHKRYQEJH-UHFFFAOYSA-N -1 0 307.354 1.308 50 0 DDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cn1ncc2ccccc21 ZINC000263217377 408061926 /nfs/dbraw/zinc/06/19/26/408061926.db2.gz OJCYMEQWGZOQSQ-AAEUAGOBSA-N -1 0 301.346 1.748 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000263307891 408101958 /nfs/dbraw/zinc/10/19/58/408101958.db2.gz WHRLAIBHOUJMRS-YMTOWFKASA-N -1 0 311.359 1.514 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1ccnn1C ZINC000263369832 408121399 /nfs/dbraw/zinc/12/13/99/408121399.db2.gz XOVUBCSHWJQQSQ-UHFFFAOYSA-N -1 0 303.318 1.099 50 0 DDAARM COc1ccc(C(=O)N(C)[C@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000263493744 408157687 /nfs/dbraw/zinc/15/76/87/408157687.db2.gz XLJWSAQRFPIFSZ-CYBMUJFWSA-N -1 0 315.329 1.253 50 0 DDAARM COCc1cccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000263548904 408170308 /nfs/dbraw/zinc/17/03/08/408170308.db2.gz VMSFEYRWIAUTSQ-CQSZACIVSA-N -1 0 307.346 1.078 50 0 DDAARM C[C@@H](Cc1cccc(Cl)c1)NC(=O)Cn1[n-]c(=O)ccc1=O ZINC000044942151 418433627 /nfs/dbraw/zinc/43/36/27/418433627.db2.gz BNBSPBIPPCBGGP-JTQLQIEISA-N -1 0 321.764 1.350 50 0 DDAARM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cnn(C)c3)nc21 ZINC000066249852 418487118 /nfs/dbraw/zinc/48/71/18/418487118.db2.gz MFDBELILTSYVOI-UHFFFAOYSA-N -1 0 322.415 2.447 50 0 DDAARM Cc1cccc(CC(=O)N2CCc3nc4cc[n-]n4c(=O)c3C2)c1 ZINC000102990608 418495515 /nfs/dbraw/zinc/49/55/15/418495515.db2.gz YRYOZRKRQKYJBW-UHFFFAOYSA-N -1 0 322.368 1.458 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2sccc2Br)CCO1 ZINC000111527948 418500857 /nfs/dbraw/zinc/50/08/57/418500857.db2.gz BAIUDTRTDMUQED-ZETCQYMHSA-N -1 0 320.164 1.436 50 0 DDAARM C[C@@H](O)CS(=O)(=O)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000193174185 222145530 /nfs/dbraw/zinc/14/55/30/222145530.db2.gz JDXSMTGESGRLQO-SECBINFHSA-N -1 0 307.375 1.115 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N(Cc1ccncc1)C1CCCCC1 ZINC000426405196 419461408 /nfs/dbraw/zinc/46/14/08/419461408.db2.gz WDPBOMIDNDPISS-UHFFFAOYSA-N -1 0 315.377 1.809 50 0 DDAARM CCn1ccnc1CN(C)C(=O)N[C@H](CC(=O)[O-])CC(C)C ZINC000426705672 419535641 /nfs/dbraw/zinc/53/56/41/419535641.db2.gz JJVIVFWSIODHKC-LBPRGKRZSA-N -1 0 310.398 1.934 50 0 DDAARM O=C([O-])c1cccc(OCCNC(=O)C[C@H]2CCCOC2)c1 ZINC000426530363 228584424 /nfs/dbraw/zinc/58/44/24/228584424.db2.gz DTYDNOXVBMDSRC-GFCCVEGCSA-N -1 0 307.346 1.697 50 0 DDAARM CC(C)[C@H](NC(=O)N(C)Cc1cnc2ccccc2n1)C(=O)[O-] ZINC000426612716 419516882 /nfs/dbraw/zinc/51/68/82/419516882.db2.gz XFERPUUGICWEGT-AWEZNQCLSA-N -1 0 316.361 1.880 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)OCCO3)o1 ZINC000299745527 229386427 /nfs/dbraw/zinc/38/64/27/229386427.db2.gz ZYOXKGVZTBSEKB-UHFFFAOYSA-N -1 0 303.270 1.679 50 0 DDAARM Cc1cccc(OCCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000299745206 229387309 /nfs/dbraw/zinc/38/73/09/229387309.db2.gz WRENHSROMJUZNC-AWEZNQCLSA-N -1 0 307.346 1.466 50 0 DDAARM Cn1cc([C@@H]2CN(C(=O)CC3=CCCC3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299760705 229406429 /nfs/dbraw/zinc/40/64/29/229406429.db2.gz QPUFQEIQLJIIAT-QWHCGFSZSA-N -1 0 318.377 1.332 50 0 DDAARM O=C([O-])c1ccc(-n2cc(NC(=O)[C@H]3CCOC3)cn2)cc1 ZINC000299781079 229435472 /nfs/dbraw/zinc/43/54/72/229435472.db2.gz OCXQRMSDRXRFED-NSHDSACASA-N -1 0 301.302 1.546 50 0 DDAARM CC[C@@](CNC(=O)c1cn(C)cn1)(C(=O)[O-])c1ccccc1 ZINC000630196654 421953385 /nfs/dbraw/zinc/95/33/85/421953385.db2.gz LHUYYIZLXBGZGG-INIZCTEOSA-N -1 0 301.346 1.583 50 0 DDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000630255242 421992125 /nfs/dbraw/zinc/99/21/25/421992125.db2.gz HTUDISXHTSOZAD-YOEHRIQHSA-N -1 0 303.358 1.494 50 0 DDAARM CN1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)CC1=O ZINC000246742524 290192730 /nfs/dbraw/zinc/19/27/30/290192730.db2.gz YWQIFRKOUGBGHP-CYDGBPFRSA-N -1 0 308.378 1.099 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000285032442 302737922 /nfs/dbraw/zinc/73/79/22/302737922.db2.gz FZBZXXNMQNGLIS-AWEZNQCLSA-N -1 0 313.357 1.689 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)Cc2cc(C)n[nH]2)c1 ZINC000534650922 334311999 /nfs/dbraw/zinc/31/19/99/334311999.db2.gz XOISWHDTNMLCDV-SECBINFHSA-N -1 0 317.345 1.786 50 0 DDAARM Cc1cc(N)n(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)n1 ZINC000217149936 484143949 /nfs/dbraw/zinc/14/39/49/484143949.db2.gz HGFAVSPEKDEBLG-GFCCVEGCSA-N -1 0 302.334 1.106 50 0 DDAARM Cc1ccc(CNC(=O)c2cn(C(C)C)cc(C(=O)[O-])c2=O)o1 ZINC000426677371 534051866 /nfs/dbraw/zinc/05/18/66/534051866.db2.gz DDQIFUYGNVIHET-UHFFFAOYSA-N -1 0 318.329 1.959 50 0 DDAARM CCOc1cc(CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1OC ZINC000299747699 528258034 /nfs/dbraw/zinc/25/80/34/528258034.db2.gz DSBRHDLNDIZXKX-QWHCGFSZSA-N -1 0 321.373 1.863 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)CCC(=O)N3)CCCC1 ZINC000169967321 563901801 /nfs/dbraw/zinc/90/18/01/563901801.db2.gz XOYUZWALRMIRFH-UHFFFAOYSA-N -1 0 302.330 1.699 50 0 DDAARM CC(C)[C@@H](NC(=O)N(CCCO)Cc1cccnc1)C(=O)[O-] ZINC000828753661 759779096 /nfs/dbraw/zinc/77/90/96/759779096.db2.gz NYDVGDXDLLYUAU-CYBMUJFWSA-N -1 0 309.366 1.085 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2cccc3cccnc23)CCO1 ZINC000408513480 878019714 /nfs/dbraw/zinc/01/97/14/878019714.db2.gz YCKRNZXLFFPNOW-UZYOAWRESA-N -1 0 312.325 1.560 50 0 DDAARM Cc1nc2ccc([N-]S(=O)(=O)c3cnc(C)s3)cn2n1 ZINC000328596158 231236318 /nfs/dbraw/zinc/23/63/18/231236318.db2.gz VIUFCRWKRWJXIB-UHFFFAOYSA-N -1 0 309.376 1.603 50 0 DDAARM CCn1ccnc1[C@H](C)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263345781 539276089 /nfs/dbraw/zinc/27/60/89/539276089.db2.gz OOMICLCUXISSBS-WOPDTQHZSA-N -1 0 308.382 1.716 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 ZINC000095425356 185361632 /nfs/dbraw/zinc/36/16/32/185361632.db2.gz CYYWWRUYMFZIBB-GFCCVEGCSA-N -1 0 309.749 1.684 50 0 DDAARM Cc1cc(C)n(CC(=O)N(CC(=O)[O-])Cc2ccccc2)n1 ZINC000097017943 185397780 /nfs/dbraw/zinc/39/77/80/185397780.db2.gz ISCGDECYLINFIS-UHFFFAOYSA-N -1 0 301.346 1.613 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)C2CC2)[C@@H](n2cc(C3CC3)nn2)C1 ZINC000685942107 539565798 /nfs/dbraw/zinc/56/57/98/539565798.db2.gz DIFPOQQRLBCQIA-LOWVWBTDSA-N -1 0 304.350 1.086 50 0 DDAARM CC(=O)N[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)C1CCCC1 ZINC000236679584 201961431 /nfs/dbraw/zinc/96/14/31/201961431.db2.gz SUKANTXIIFXWSM-CJNGLKHVSA-N -1 0 324.421 1.785 50 0 DDAARM CC1(C)[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)[C@@H]1C(=O)[O-] ZINC000071282942 190952781 /nfs/dbraw/zinc/95/27/81/190952781.db2.gz IIPLLTFRYQHRGG-QWHCGFSZSA-N -1 0 314.345 1.622 50 0 DDAARM O=C([O-])[C@H](NC(=O)[C@H]1CCCOC1)c1ccc2c(c1)CCO2 ZINC000262864043 186315933 /nfs/dbraw/zinc/31/59/33/186315933.db2.gz APIMTKPCQMSLCY-GXTWGEPZSA-N -1 0 305.330 1.290 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCc1nc(-c2ccncc2)no1 ZINC000072401511 191150911 /nfs/dbraw/zinc/15/09/11/191150911.db2.gz KCTMLHKLEZHQRA-GHMZBOCLSA-N -1 0 316.317 1.105 50 0 DDAARM O=S1(=O)CC[C@@H]([N-]C(=S)SCc2ccccc2)C1 ZINC000003893137 181052739 /nfs/dbraw/zinc/05/27/39/181052739.db2.gz HSRGRKZNBDYQSY-LLVKDONJSA-N -1 0 301.458 1.981 50 0 DDAARM COC(=O)Cc1nc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])sc1C ZINC000004324296 181097777 /nfs/dbraw/zinc/09/77/77/181097777.db2.gz RLOIEFASBYYMOH-SFYZADRCSA-N -1 0 312.347 1.216 50 0 DDAARM O=C([O-])CCCn1cc(NC(=O)COc2ccc(F)cc2)cn1 ZINC000004502085 181115932 /nfs/dbraw/zinc/11/59/32/181115932.db2.gz PCBWLGLOIPSYMY-UHFFFAOYSA-N -1 0 321.308 1.905 50 0 DDAARM CCC[C@H](NC(=O)C[C@@H](c1nccn1C)C(F)(F)F)C(=O)[O-] ZINC000585134754 354811918 /nfs/dbraw/zinc/81/19/18/354811918.db2.gz IXIJZQKHWWGOSA-IUCAKERBSA-N -1 0 321.299 1.826 50 0 DDAARM CC(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000585145982 354816033 /nfs/dbraw/zinc/81/60/33/354816033.db2.gz BQJLEFRWFJNLMI-CQSZACIVSA-N -1 0 305.309 1.890 50 0 DDAARM NC1=NC(=O)C(CCC[C@@H](C(=O)[O-])c2ccccc2)C(=O)N1 ZINC000005588769 181261087 /nfs/dbraw/zinc/26/10/87/181261087.db2.gz IFLUKQQNEDSLRH-SNVBAGLBSA-N -1 0 303.318 1.661 50 0 DDAARM CCn1nc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1=O ZINC000236961345 202094901 /nfs/dbraw/zinc/09/49/01/202094901.db2.gz PTUADXSDYCEZMS-NSHDSACASA-N -1 0 307.350 1.123 50 0 DDAARM CCn1ncc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1C(F)(F)F ZINC000236978648 202104466 /nfs/dbraw/zinc/10/44/66/202104466.db2.gz QQYNZAQBTMTITH-GFCCVEGCSA-N -1 0 319.283 1.859 50 0 DDAARM CN(CC(=O)[O-])C(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000237133856 202162292 /nfs/dbraw/zinc/16/22/92/202162292.db2.gz RTYNDIDLLXCOEO-UHFFFAOYSA-N -1 0 311.765 1.931 50 0 DDAARM Cc1noc([C@H]2CCCN(C(=O)c3ccc(C(=O)[O-])nc3)C2)n1 ZINC000237697267 202329725 /nfs/dbraw/zinc/32/97/25/202329725.db2.gz YRVWCZPPHCZGDP-NSHDSACASA-N -1 0 316.317 1.491 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000237806018 202359801 /nfs/dbraw/zinc/35/98/01/202359801.db2.gz PFRXEJNIBXIOPQ-UHFFFAOYSA-N -1 0 314.345 1.703 50 0 DDAARM Cn1ccc2c1cccc2C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237809518 202360833 /nfs/dbraw/zinc/36/08/33/202360833.db2.gz ZMMXESQHBKNUOW-NSHDSACASA-N -1 0 302.330 1.494 50 0 DDAARM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C(=O)[O-])nc2)o1 ZINC000237903525 202386597 /nfs/dbraw/zinc/38/65/97/202386597.db2.gz RULZARRSTDTMEO-ZDUSSCGKSA-N -1 0 316.313 1.895 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCC2)CCO1 ZINC000238195253 202450596 /nfs/dbraw/zinc/45/05/96/202450596.db2.gz RVTDJJPEPHHMRZ-CQSZACIVSA-N -1 0 321.348 1.950 50 0 DDAARM Cc1cc(CN(C)CC(=O)Nc2nc(C)c(C(=O)[O-])s2)on1 ZINC000244735023 202493907 /nfs/dbraw/zinc/49/39/07/202493907.db2.gz NRQYGZQSPLGPFG-UHFFFAOYSA-N -1 0 324.362 1.517 50 0 DDAARM CCCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000220003340 201569490 /nfs/dbraw/zinc/56/94/90/201569490.db2.gz BIIRSSXSHBFRSA-ZIAGYGMSSA-N -1 0 307.346 1.837 50 0 DDAARM COc1cc(C)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000262084741 203193716 /nfs/dbraw/zinc/19/37/16/203193716.db2.gz HHINTXGABOKJEE-WCQGTBRESA-N -1 0 307.346 1.910 50 0 DDAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1COCCO1 ZINC000262414237 203288113 /nfs/dbraw/zinc/28/81/13/203288113.db2.gz ORPGWDRBSQBCJL-ZDUSSCGKSA-N -1 0 309.318 1.526 50 0 DDAARM COc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000013170335 181836268 /nfs/dbraw/zinc/83/62/68/181836268.db2.gz AUQCYIGGVULYII-SNVBAGLBSA-N -1 0 323.345 1.649 50 0 DDAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccnc2)C[C@H]1C(=O)[O-] ZINC000014632515 181962738 /nfs/dbraw/zinc/96/27/38/181962738.db2.gz UMPBUKZSGXBWQY-RYUDHWBXSA-N -1 0 308.334 1.923 50 0 DDAARM Cc1cccc(C)c1NC(=O)CSc1nc([O-])cc(=O)[nH]1 ZINC000018113597 182093501 /nfs/dbraw/zinc/09/35/01/182093501.db2.gz JIENKMCSYGAAPZ-UHFFFAOYSA-N -1 0 305.359 1.823 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cc(-c3ccccc3)[nH]n2)n1 ZINC000020616601 182239732 /nfs/dbraw/zinc/23/97/32/182239732.db2.gz JHXIJPHEEDEGPF-UHFFFAOYSA-N -1 0 311.301 1.761 50 0 DDAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1-c1cn2ccccc2n1 ZINC000097730266 193751779 /nfs/dbraw/zinc/75/17/79/193751779.db2.gz CHDANDKKCSPLGO-SNVBAGLBSA-N -1 0 313.317 1.181 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000062119884 304192199 /nfs/dbraw/zinc/19/21/99/304192199.db2.gz CQFBUBSLBGWWCH-QMMMGPOBSA-N -1 0 323.292 1.801 50 0 DDAARM CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000036182803 182808517 /nfs/dbraw/zinc/80/85/17/182808517.db2.gz HAFTYRDZAWTHDJ-UHFFFAOYSA-N -1 0 316.339 1.436 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCNC(=O)c1ccsc1 ZINC000037437939 182893340 /nfs/dbraw/zinc/89/33/40/182893340.db2.gz JBJOMPIKCYNXKE-NSHDSACASA-N -1 0 310.375 1.334 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-n2cccc2)c1 ZINC000299743036 304200433 /nfs/dbraw/zinc/20/04/33/304200433.db2.gz LQZZBNKFJNXBHZ-CQSZACIVSA-N -1 0 300.314 1.403 50 0 DDAARM Cc1c(C(=O)[N-]S(C)(=O)=O)cnn1-c1ccc(Cl)cc1 ZINC000040544010 183099101 /nfs/dbraw/zinc/09/91/01/183099101.db2.gz OPMFYJGVEPEYSI-UHFFFAOYSA-N -1 0 313.766 1.524 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCO1 ZINC000268945357 207110154 /nfs/dbraw/zinc/11/01/54/207110154.db2.gz GRSBTIDMHDMJAT-HZSPNIEDSA-N -1 0 307.321 1.631 50 0 DDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000268939223 207103701 /nfs/dbraw/zinc/10/37/01/207103701.db2.gz IVUWMTKIFANNFN-BKDNQFJXSA-N -1 0 319.292 1.774 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000268943065 207108548 /nfs/dbraw/zinc/10/85/48/207108548.db2.gz KVUJTSXJKBSTJI-TUAOUCFPSA-N -1 0 322.748 1.282 50 0 DDAARM COc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc(OC)c1C ZINC000269024402 207175802 /nfs/dbraw/zinc/17/58/02/207175802.db2.gz JSLOJGBETQDRKV-MRXNPFEDSA-N -1 0 307.346 1.949 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000269080321 207226682 /nfs/dbraw/zinc/22/66/82/207226682.db2.gz FEITXMFYJMWRDY-YNEHKIRRSA-N -1 0 317.341 1.637 50 0 DDAARM COc1ccccc1-n1cc(CN2C[C@@H](C(=O)[O-])CC2=O)cn1 ZINC000065408432 184339197 /nfs/dbraw/zinc/33/91/97/184339197.db2.gz VACXQMWSXVGTHV-LBPRGKRZSA-N -1 0 315.329 1.314 50 0 DDAARM Cc1nnc(-c2cccc(N3C[C@@H](C(=O)[O-])CC3=O)c2)s1 ZINC000065457653 184348183 /nfs/dbraw/zinc/34/81/83/184348183.db2.gz JWMBBXIOPKVGBS-JTQLQIEISA-N -1 0 303.343 1.951 50 0 DDAARM Cc1ccc(C)c(NC(=O)CC(=O)N[C@H](C)c2nnn[n-]2)c1 ZINC000065533518 184361731 /nfs/dbraw/zinc/36/17/31/184361731.db2.gz ROCZELAKDIDSSH-SNVBAGLBSA-N -1 0 302.338 1.023 50 0 DDAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cccn2cnnc12 ZINC000067172405 184452433 /nfs/dbraw/zinc/45/24/33/184452433.db2.gz IPWVABSSTWFMKZ-UHFFFAOYSA-N -1 0 310.285 1.808 50 0 DDAARM O=C([O-])c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000004975346 304247837 /nfs/dbraw/zinc/24/78/37/304247837.db2.gz STPIRLCPRPCNDK-GIVNFFOOSA-N -1 0 301.298 1.521 50 0 DDAARM COc1ccc2oc(C(=O)N3CCOC[C@H]3C(=O)[O-])c(C)c2c1 ZINC000299747841 533353620 /nfs/dbraw/zinc/35/36/20/533353620.db2.gz FHWPRFUSLUHQOT-LBPRGKRZSA-N -1 0 319.313 1.675 50 0 DDAARM CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000000291921 285669664 /nfs/dbraw/zinc/66/96/64/285669664.db2.gz XQYKSJQWJOZSJZ-LBPRGKRZSA-N -1 0 320.370 1.741 50 0 DDAARM COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(=O)[O-] ZINC000000102941 406619676 /nfs/dbraw/zinc/61/96/76/406619676.db2.gz OFHMRNVYYHVUGL-UHFFFAOYSA-N -1 0 308.315 1.589 50 0 DDAARM CCC[C@H](NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001575975 406672331 /nfs/dbraw/zinc/67/23/31/406672331.db2.gz LDWKLEOJLPWEIE-AAEUAGOBSA-N -1 0 322.361 1.671 50 0 DDAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)ncn1 ZINC000000311155 406638846 /nfs/dbraw/zinc/63/88/46/406638846.db2.gz GYUQXNLLHFAYDF-UHFFFAOYSA-N -1 0 322.346 1.244 50 0 DDAARM CC(C)c1ccc(Cc2nnc(N3CCOCC3)[n-]c2=O)cc1 ZINC000005154595 406732073 /nfs/dbraw/zinc/73/20/73/406732073.db2.gz AARWHMPQDTYHGA-UHFFFAOYSA-N -1 0 314.389 1.716 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000006847399 406741100 /nfs/dbraw/zinc/74/11/00/406741100.db2.gz FJUQTIWEBLERLG-CHWSQXEVSA-N -1 0 317.341 1.741 50 0 DDAARM CNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000007779724 406766769 /nfs/dbraw/zinc/76/67/69/406766769.db2.gz NGFJUFZFLGZIBA-GHMZBOCLSA-N -1 0 302.330 1.652 50 0 DDAARM COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000003105199 406711624 /nfs/dbraw/zinc/71/16/24/406711624.db2.gz YYTKTCZTILYRGP-UHFFFAOYSA-N -1 0 313.375 1.489 50 0 DDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000003269034 406715769 /nfs/dbraw/zinc/71/57/69/406715769.db2.gz LYHMMVJFPYHFMZ-CABZTGNLSA-N -1 0 301.364 1.473 50 0 DDAARM Cc1ccc(Nc2nc(N3CCOCC3)nc(=O)[n-]2)cc1C ZINC000008763229 406794614 /nfs/dbraw/zinc/79/46/14/406794614.db2.gz BOTSUFYXMNWASO-UHFFFAOYSA-N -1 0 301.350 1.362 50 0 DDAARM CNC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071287108 406837932 /nfs/dbraw/zinc/83/79/32/406837932.db2.gz QWUIFOKBXKBJLT-VXGBXAGGSA-N -1 0 320.345 1.350 50 0 DDAARM Cc1nc2[n-]c(CN3CCc4ccccc4C3)nn2c(=O)c1C ZINC000035476791 406973093 /nfs/dbraw/zinc/97/30/93/406973093.db2.gz XBNQGCQSKUHVLG-UHFFFAOYSA-N -1 0 309.373 1.593 50 0 DDAARM O=C([O-])C1CCN(c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 ZINC000032918613 406956857 /nfs/dbraw/zinc/95/68/57/406956857.db2.gz RFMPJQCECGECGF-UHFFFAOYSA-N -1 0 317.320 1.673 50 0 DDAARM CCN1CCN(S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC000033499063 406962213 /nfs/dbraw/zinc/96/22/13/406962213.db2.gz MKDWQZFSAYGTTL-YVMONPNESA-N -1 0 324.402 1.111 50 0 DDAARM Cc1c2ccc(C)c(C)c2oc1C(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000077338851 406985585 /nfs/dbraw/zinc/98/55/85/406985585.db2.gz PKHLADUELPQBKC-UHFFFAOYSA-N -1 0 314.345 1.742 50 0 DDAARM CCOC(=O)N[C@]([N-]c1ncccn1)(C(=O)OC)C(F)(F)F ZINC000079482846 407055261 /nfs/dbraw/zinc/05/52/61/407055261.db2.gz XGPAPONNNSZNTD-SNVBAGLBSA-N -1 0 322.243 1.066 50 0 DDAARM Cc1cc(C)n(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC000095989722 407221947 /nfs/dbraw/zinc/22/19/47/407221947.db2.gz GMBVQSXCCZAGMF-CQSZACIVSA-N -1 0 319.336 1.451 50 0 DDAARM COc1cccc(/C=C\C(=O)N[C@H](C(=O)[O-])C(C)C)c1OC ZINC000096035508 407224382 /nfs/dbraw/zinc/22/43/82/407224382.db2.gz CJLJIHSLAZYFHR-CKXPSTMWSA-N -1 0 307.346 1.942 50 0 DDAARM CCc1nc2c([N-]S(=O)(=O)c3cccnc3)cccn2n1 ZINC000065283973 407241874 /nfs/dbraw/zinc/24/18/74/407241874.db2.gz NELQKMWXHNXMSC-UHFFFAOYSA-N -1 0 303.347 1.488 50 0 DDAARM CCCc1cc(=O)n2nc(CNc3ccccc3OC)[n-]c2n1 ZINC000101803268 407316294 /nfs/dbraw/zinc/31/62/94/407316294.db2.gz YJBCYDDZYMYLAX-UHFFFAOYSA-N -1 0 313.361 1.991 50 0 DDAARM CCCc1cc(=O)n2nc(CNc3cccc(OC)c3)[n-]c2n1 ZINC000101803339 407316340 /nfs/dbraw/zinc/31/63/40/407316340.db2.gz HMDORKRPRBNOLG-UHFFFAOYSA-N -1 0 313.361 1.991 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)NCC(F)(F)F)cc2[n-]c1=S ZINC000102337379 407321944 /nfs/dbraw/zinc/32/19/44/407321944.db2.gz IUDWRVXEQLCNOP-UHFFFAOYSA-N -1 0 317.292 1.514 50 0 DDAARM CC(=O)c1ccc(NC(=O)c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000067225459 407269554 /nfs/dbraw/zinc/26/95/54/407269554.db2.gz BMIIMMCDUSXFDU-UHFFFAOYSA-N -1 0 310.313 1.786 50 0 DDAARM COc1nc2c(cc1C(=O)[N-]n1c(C)cc(C)cc1=O)CCC2 ZINC000067856194 407286888 /nfs/dbraw/zinc/28/68/88/407286888.db2.gz DHWLDENJLYUEBM-UHFFFAOYSA-N -1 0 313.357 1.741 50 0 DDAARM Cc1nc(/C=C\C(=O)[N-]S(=O)(=O)c2cccnc2)cs1 ZINC000098054836 407305005 /nfs/dbraw/zinc/30/50/05/407305005.db2.gz WKCPJDYUILNEOW-PLNGDYQASA-N -1 0 309.372 1.365 50 0 DDAARM CN(C)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000181096627 306697540 /nfs/dbraw/zinc/69/75/40/306697540.db2.gz ATYJYOFKFWYFKN-UHFFFAOYSA-N -1 0 319.386 1.883 50 0 DDAARM CCCc1ccc(N2C[C@H](C(=O)Nc3nn[nH]n3)CC2=O)cc1 ZINC000253416704 407442637 /nfs/dbraw/zinc/44/26/37/407442637.db2.gz BYAHCAJPCXRQHQ-LLVKDONJSA-N -1 0 314.349 1.144 50 0 DDAARM COc1ccc(NC(=O)N[C@H](C(=O)[O-])C2CCOCC2)cc1 ZINC000170617968 407456509 /nfs/dbraw/zinc/45/65/09/407456509.db2.gz JHGVOQXEFAXNLA-ZDUSSCGKSA-N -1 0 308.334 1.697 50 0 DDAARM O=C(NCCOCC1CC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000170623195 407458160 /nfs/dbraw/zinc/45/81/60/407458160.db2.gz WYHPMIKJJFQMKA-UHFFFAOYSA-N -1 0 319.386 1.368 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1ccc(Br)s1 ZINC000224727031 407577816 /nfs/dbraw/zinc/57/78/16/407577816.db2.gz CGYQJDGONAZNNY-JGVFFNPUSA-N -1 0 318.192 1.890 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2ccsc2c1 ZINC000261696930 407584204 /nfs/dbraw/zinc/58/42/04/407584204.db2.gz NOLUBZGCXGUIDJ-ZETCQYMHSA-N -1 0 300.361 1.390 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000236688876 407753548 /nfs/dbraw/zinc/75/35/48/407753548.db2.gz GEYUGQXBMFYZMI-GJZGRUSLSA-N -1 0 318.373 1.495 50 0 DDAARM COC[C@](C)(NC(=O)c1ccc(-n2ccc(C)n2)cc1)C(=O)[O-] ZINC000262178381 407759676 /nfs/dbraw/zinc/75/96/76/407759676.db2.gz XFUHZMRTNUVJTH-INIZCTEOSA-N -1 0 317.345 1.400 50 0 DDAARM CC(C)(Cc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000236768730 407774195 /nfs/dbraw/zinc/77/41/95/407774195.db2.gz ZDNQSDBWJZHWHD-AWEZNQCLSA-N -1 0 305.374 1.957 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000237278494 407810032 /nfs/dbraw/zinc/81/00/32/407810032.db2.gz NIROUHKGCLCCOF-VHSXEESVSA-N -1 0 313.300 1.628 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000262438183 407833902 /nfs/dbraw/zinc/83/39/02/407833902.db2.gz UCZAUFOEGFPRMM-NQBHXWOUSA-N -1 0 309.749 1.961 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCCOc2ccccc2F)CCO1 ZINC000262910038 407965769 /nfs/dbraw/zinc/96/57/69/407965769.db2.gz CMPUQPJQQKTOSR-CYBMUJFWSA-N -1 0 311.309 1.297 50 0 DDAARM COc1ccc2[nH]cc(CC(=O)N3CCO[C@H](C(=O)[O-])C3)c2c1 ZINC000262980506 407991409 /nfs/dbraw/zinc/99/14/09/407991409.db2.gz MYMUTLJICGCATC-AWEZNQCLSA-N -1 0 318.329 1.031 50 0 DDAARM COC[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000263573158 408181929 /nfs/dbraw/zinc/18/19/29/408181929.db2.gz LZAVWRARGUJGAK-AWEZNQCLSA-N -1 0 321.373 1.580 50 0 DDAARM O=C([N-]S(=O)(=O)CCCF)c1ccnc(C2CCCC2)n1 ZINC000162415840 408699993 /nfs/dbraw/zinc/69/99/93/408699993.db2.gz VQVPPSOHBPEMNC-UHFFFAOYSA-N -1 0 315.370 1.553 50 0 DDAARM CCC[C@H](NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1)c1nnn[n-]1 ZINC000170025324 408820124 /nfs/dbraw/zinc/82/01/24/408820124.db2.gz WKVFUNKVVMHCHQ-JSGCOSHPSA-N -1 0 315.377 1.778 50 0 DDAARM NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000314439974 409825327 /nfs/dbraw/zinc/82/53/27/409825327.db2.gz HDGZOWHVJYPAFX-DMTLFAOVSA-N -1 0 302.330 1.122 50 0 DDAARM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@@H]1CCS(=O)(=O)C1 ZINC000298085421 410104676 /nfs/dbraw/zinc/10/46/76/410104676.db2.gz YUTYXLSRTLKBIN-MRVPVSSYSA-N -1 0 317.388 1.096 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)Cc2ccc3c(c2)CCO3)cn1 ZINC000647745724 423028880 /nfs/dbraw/zinc/02/88/80/423028880.db2.gz NFLZPAYFEDZIRT-UHFFFAOYSA-N -1 0 301.302 1.084 50 0 DDAARM Cc1cc(C)c(N2C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CC2=O)c(C)c1 ZINC000178831250 221879460 /nfs/dbraw/zinc/87/94/60/221879460.db2.gz IOIHHRZABURJCX-STQMWFEESA-N -1 0 318.373 1.554 50 0 DDAARM Cc1[n-]n(C)c(=O)c1CC(=O)N1CC[C@H](c2cccc(F)c2)C1 ZINC000101870311 418494636 /nfs/dbraw/zinc/49/46/36/418494636.db2.gz DZIOKCIWVPJNRQ-DZGCQCFKSA-N -1 0 317.364 1.996 50 0 DDAARM O=C([O-])c1ccc(CCC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000191597051 418522407 /nfs/dbraw/zinc/52/24/07/418522407.db2.gz OUWKVDZNBRFUJB-CYBMUJFWSA-N -1 0 316.357 1.197 50 0 DDAARM Cc1c(C(=O)NC[C@H](C)C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000518540388 421658344 /nfs/dbraw/zinc/65/83/44/421658344.db2.gz JYMLYULFCVPDBA-ZETCQYMHSA-N -1 0 324.287 1.304 50 0 DDAARM C[C@H](Cc1ccc(NC(=O)CN2CCCCC2=O)cc1)C(=O)[O-] ZINC000630162518 421930109 /nfs/dbraw/zinc/93/01/09/421930109.db2.gz MUPQSWMBCNSDBH-GFCCVEGCSA-N -1 0 318.373 1.901 50 0 DDAARM CCc1cc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)n(C)n1 ZINC000634804837 422658614 /nfs/dbraw/zinc/65/86/14/422658614.db2.gz VEPSYJNCUVAYQG-ZDUSSCGKSA-N -1 0 319.336 1.720 50 0 DDAARM COc1cc(C)ccc1OCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000299745205 533689452 /nfs/dbraw/zinc/68/94/52/533689452.db2.gz WQYAHGKKXIABMP-UHFFFAOYSA-N -1 0 307.346 1.896 50 0 DDAARM C[C@@H]1COCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809683 277937665 /nfs/dbraw/zinc/93/76/65/277937665.db2.gz CJDTVXNAIYUDBM-MRVPVSSYSA-N -1 0 305.359 1.859 50 0 DDAARM CC(=O)N[C@](C)(C(=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000035287531 278182544 /nfs/dbraw/zinc/18/25/44/278182544.db2.gz YIXFNBHXEPDILZ-HNNXBMFYSA-N -1 0 314.382 1.613 50 0 DDAARM CC(C)[C@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000033520770 280293410 /nfs/dbraw/zinc/29/34/10/280293410.db2.gz CWWPKYKISLVPAI-HNNXBMFYSA-N -1 0 320.345 1.028 50 0 DDAARM COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000003882382 295156606 /nfs/dbraw/zinc/15/66/06/295156606.db2.gz SMLSGZWTQNCHJF-NFFDBFGFSA-N -1 0 301.298 1.066 50 0 biogenic DDAARM COc1ccccc1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268918573 295364634 /nfs/dbraw/zinc/36/46/34/295364634.db2.gz RCEGYLAFCNWVME-MJBXVCDLSA-N -1 0 303.358 1.949 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC000155901284 298207808 /nfs/dbraw/zinc/20/78/08/298207808.db2.gz RTNWHNYOSZWPKK-BXUZGUMPSA-N -1 0 324.352 1.131 50 0 DDAARM Cc1cc(=O)c(C(=O)N[C@H](C)CC(=O)[O-])nn1-c1ccccc1 ZINC000095425013 301065053 /nfs/dbraw/zinc/06/50/53/301065053.db2.gz NEGLJEUIZXPZBO-SNVBAGLBSA-N -1 0 315.329 1.134 50 0 DDAARM Cc1cnn(-c2ccc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2)c1 ZINC000299749808 302388490 /nfs/dbraw/zinc/38/84/90/302388490.db2.gz LPOSMBKKDJGGAV-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM Cn1cc(CCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cn1 ZINC000237771001 302911521 /nfs/dbraw/zinc/91/15/21/302911521.db2.gz FELSYMVIUFTKNH-CQSZACIVSA-N -1 0 301.346 1.685 50 0 DDAARM Cc1c[nH]c([C@@H](C)NC(=O)c2cnc3cc(=O)[nH]n3c2C)n1 ZINC000534638568 334310225 /nfs/dbraw/zinc/31/02/25/334310225.db2.gz ISVGFQPRKISQEA-MRVPVSSYSA-N -1 0 300.322 1.266 50 0 DDAARM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(C)n3)cc12 ZINC000096408029 484019373 /nfs/dbraw/zinc/01/93/73/484019373.db2.gz KKTIZEUGQAWJTF-UHFFFAOYSA-N -1 0 304.331 2.035 50 0 DDAARM CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000299753797 527152516 /nfs/dbraw/zinc/15/25/16/527152516.db2.gz ZKDANMHVKOQVBN-NEPJUHHUSA-N -1 0 319.357 1.572 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000299741854 527923024 /nfs/dbraw/zinc/92/30/24/527923024.db2.gz HHXNXTFNDJSXJC-UHFFFAOYSA-N -1 0 322.386 1.914 50 0 DDAARM CCOc1cc(CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1OC ZINC000299747700 528257947 /nfs/dbraw/zinc/25/79/47/528257947.db2.gz DSBRHDLNDIZXKX-STQMWFEESA-N -1 0 321.373 1.863 50 0 DDAARM CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000299753662 528604707 /nfs/dbraw/zinc/60/47/07/528604707.db2.gz YXKIJSHCGUWZHT-MVWJERBFSA-N -1 0 307.346 1.992 50 0 DDAARM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cc(C)n[nH]2)c1 ZINC000263220194 698496539 /nfs/dbraw/zinc/49/65/39/698496539.db2.gz QMUNNDPUNQCLII-MRXNPFEDSA-N -1 0 317.345 1.847 50 0 DDAARM O=C(N=c1nc(-c2cccnc2Cl)[n-]s1)[C@H]1CCCO1 ZINC000585124956 771955947 /nfs/dbraw/zinc/95/59/47/771955947.db2.gz BDZYTZKHOJMRAS-MRVPVSSYSA-N -1 0 310.766 1.793 50 0 DDAARM Cc1c2cc(C)ccc2[nH]c1C(=O)NCC(=O)NCCC(=O)[O-] ZINC000095505167 185375230 /nfs/dbraw/zinc/37/52/30/185375230.db2.gz UQDSLMKFFLGDLD-UHFFFAOYSA-N -1 0 317.345 1.105 50 0 DDAARM Cn1cc(/C=C/C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000314071263 231126849 /nfs/dbraw/zinc/12/68/49/231126849.db2.gz LJQZNFHBCGZCBI-IWPQLONXSA-N -1 0 303.362 1.678 50 0 DDAARM COc1cncc([C@@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@H](O)C2)c1 ZINC000222652993 539265563 /nfs/dbraw/zinc/26/55/63/539265563.db2.gz BMLVMZJFJSGCNB-HNXYLICVSA-N -1 0 319.317 1.026 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(C)cc(F)c2)C1 ZINC000685941115 539565872 /nfs/dbraw/zinc/56/58/72/539565872.db2.gz RQPCHPRSJNWSLY-GWCFXTLKSA-N -1 0 322.336 1.186 50 0 DDAARM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc2nc[nH]c(=O)c2c1 ZINC000685945006 539567856 /nfs/dbraw/zinc/56/78/56/539567856.db2.gz NVTAOBYWGZLAHD-SECBINFHSA-N -1 0 323.374 1.577 50 0 DDAARM COc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cn1 ZINC000083962605 192393042 /nfs/dbraw/zinc/39/30/42/192393042.db2.gz ZACNZBKINPKVNQ-UHFFFAOYSA-N -1 0 300.314 1.761 50 0 DDAARM C[C@H](NC(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O)C(=O)[O-] ZINC000237471754 186294734 /nfs/dbraw/zinc/29/47/34/186294734.db2.gz LYVLPLMMQIEAKX-KWQFWETISA-N -1 0 310.737 1.282 50 0 DDAARM O=C(Nc1ncccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621314 304017739 /nfs/dbraw/zinc/01/77/39/304017739.db2.gz QRDWVDHEDATADT-UHFFFAOYSA-N -1 0 308.297 1.306 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000072420107 304034978 /nfs/dbraw/zinc/03/49/78/304034978.db2.gz XLOVNDHUQIMCHX-LBPRGKRZSA-N -1 0 303.362 1.476 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000003308063 181002698 /nfs/dbraw/zinc/00/26/98/181002698.db2.gz QUWIEIFFNAJQRK-CYBMUJFWSA-N -1 0 311.359 1.517 50 0 DDAARM O=C([O-])c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 ZINC000003309035 181003006 /nfs/dbraw/zinc/00/30/06/181003006.db2.gz HINYGNJXWGYTRH-UHFFFAOYSA-N -1 0 304.327 1.749 50 0 DDAARM O=C([O-])c1cccc(S(=O)(=O)NCCc2ccccc2)c1 ZINC000003356648 181010998 /nfs/dbraw/zinc/01/09/98/181010998.db2.gz YPNOBPYZXOOSOQ-UHFFFAOYSA-N -1 0 305.355 1.906 50 0 DDAARM CCOCCC(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000225666315 354318586 /nfs/dbraw/zinc/31/85/86/354318586.db2.gz JRDRPBNCYGJFJN-UHFFFAOYSA-N -1 0 305.783 1.713 50 0 DDAARM CCN1C(=O)N/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C1=O ZINC000004472477 181111546 /nfs/dbraw/zinc/11/15/46/181111546.db2.gz WJJWESXEBWUVAQ-KPKJPENVSA-N -1 0 313.313 1.639 50 0 DDAARM O=C([O-])c1cnc2ccc(S(=O)(=O)N3CCCC3)cc2c1O ZINC000004687620 181136924 /nfs/dbraw/zinc/13/69/24/181136924.db2.gz PGQCUHLGQQPZEH-UHFFFAOYSA-N -1 0 322.342 1.011 50 0 DDAARM C[C@@H](O)C(=O)Nc1ccc(I)cc1O ZINC000390833460 354642875 /nfs/dbraw/zinc/64/28/75/354642875.db2.gz HWMLLYOVRJYLJB-RXMQYKEDSA-N -1 0 307.087 1.316 50 0 DDAARM CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ncc[nH]1)c1ccccc1 ZINC000585136234 354812026 /nfs/dbraw/zinc/81/20/26/354812026.db2.gz XJRPJPSBVRVGGG-NSHDSACASA-N -1 0 307.375 1.799 50 0 DDAARM COc1ccc(CNC(=O)c2ccc(C)n2C)cc1C(=O)[O-] ZINC000075572367 191493860 /nfs/dbraw/zinc/49/38/60/191493860.db2.gz SCQYJSQEMIABHI-UHFFFAOYSA-N -1 0 302.330 1.970 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1ccc(C)c(N2CCCC2=O)c1C ZINC000005362837 181234457 /nfs/dbraw/zinc/23/44/57/181234457.db2.gz QSKRXHYJOFDSKY-UHFFFAOYSA-N -1 0 310.375 1.255 50 0 DDAARM CNC(=O)CC1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000237124022 202161051 /nfs/dbraw/zinc/16/10/51/202161051.db2.gz KRIMCMRNDMDWMW-UHFFFAOYSA-N -1 0 304.346 1.373 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2COc3ccccc3C2)n1 ZINC000178222390 198834846 /nfs/dbraw/zinc/83/48/46/198834846.db2.gz RYOGYVRYDUTSKI-NSHDSACASA-N -1 0 301.302 1.158 50 0 DDAARM O=C([O-])CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 ZINC000011865969 304069602 /nfs/dbraw/zinc/06/96/02/304069602.db2.gz YPPNHSVIBIHTML-UHFFFAOYSA-N -1 0 301.327 1.901 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3ncccn3)n2)C1 ZINC000237359216 202243400 /nfs/dbraw/zinc/24/34/00/202243400.db2.gz PLZUVSZKQHHVSZ-CQSZACIVSA-N -1 0 318.358 1.537 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CCO1 ZINC000268945359 304077114 /nfs/dbraw/zinc/07/71/14/304077114.db2.gz GRSBTIDMHDMJAT-RDBSUJKOSA-N -1 0 307.321 1.631 50 0 DDAARM Cc1cc(C)c(OCC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c(C)c1 ZINC000187306294 200091998 /nfs/dbraw/zinc/09/19/98/200091998.db2.gz DHQUSVCYJYYHKO-CYBMUJFWSA-N -1 0 317.393 1.766 50 0 DDAARM Cc1ccc(CN2C[C@H](C(=O)NC[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC000237603605 202300983 /nfs/dbraw/zinc/30/09/83/202300983.db2.gz JHRUAXWPPCZOPE-GXTWGEPZSA-N -1 0 318.373 1.180 50 0 DDAARM Cn1cc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1C(=O)[O-] ZINC000237707171 202333276 /nfs/dbraw/zinc/33/32/76/202333276.db2.gz NVBOKOWKAPBEDN-ZDUSSCGKSA-N -1 0 320.370 1.689 50 0 DDAARM Cc1cccc2c(CCC(=O)N3CCO[C@@H](C(=O)[O-])C3)c[nH]c21 ZINC000237760389 202348683 /nfs/dbraw/zinc/34/86/83/202348683.db2.gz BCBKTOZGDOKALR-CQSZACIVSA-N -1 0 316.357 1.721 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2)no1 ZINC000237811233 202360748 /nfs/dbraw/zinc/36/07/48/202360748.db2.gz WDUNRTNHBXKKRQ-MRXNPFEDSA-N -1 0 315.329 1.982 50 0 DDAARM O=C([O-])[C@@H]1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1 ZINC000031775900 304110737 /nfs/dbraw/zinc/11/07/37/304110737.db2.gz MDPDYUNAPDOFDL-SSDOTTSWSA-N -1 0 315.255 1.444 50 0 DDAARM C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000006645407 181364681 /nfs/dbraw/zinc/36/46/81/181364681.db2.gz RXGWFZRONUIXEH-VIFPVBQESA-N -1 0 300.355 1.223 50 0 DDAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NC1CC1)CCC2 ZINC000006725878 181377615 /nfs/dbraw/zinc/37/76/15/181377615.db2.gz RHECFLLLADFWLF-UHFFFAOYSA-N -1 0 322.386 1.932 50 0 DDAARM CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000091951021 193131658 /nfs/dbraw/zinc/13/16/58/193131658.db2.gz HSNKYIPGFRAOQZ-LBPRGKRZSA-N -1 0 312.391 1.056 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)COCc2ccccc2)n1 ZINC000261532301 203074550 /nfs/dbraw/zinc/07/45/50/203074550.db2.gz ADBFNQWHDBNAPR-UHFFFAOYSA-N -1 0 320.370 1.717 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1ccccc1=O ZINC000299744710 304146994 /nfs/dbraw/zinc/14/69/94/304146994.db2.gz ULUHRWDPPCPJEH-RDBSUJKOSA-N -1 0 318.373 1.483 50 0 DDAARM C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000000166171 296138700 /nfs/dbraw/zinc/13/87/00/296138700.db2.gz JRXYHNYHRSZPBH-ZCFIWIBFSA-N -1 0 308.153 1.201 50 0 DDAARM COc1c(F)ccc(F)c1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262691386 203384042 /nfs/dbraw/zinc/38/40/42/203384042.db2.gz BQQHTBNEACLENW-QMMMGPOBSA-N -1 0 315.272 1.289 50 0 DDAARM C[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccccn1 ZINC000013072088 181826576 /nfs/dbraw/zinc/82/65/76/181826576.db2.gz YRLICTHLTUGAKL-SECBINFHSA-N -1 0 324.333 1.958 50 0 DDAARM C[C@H](Nc1n[nH]c(=S)[n-]c1=O)C(=O)OCc1ccccc1 ZINC000018129305 182093613 /nfs/dbraw/zinc/09/36/13/182093613.db2.gz LDLKUNXNYVANLX-QMMMGPOBSA-N -1 0 306.347 1.784 50 0 biogenic,in-vitro DDAARM COc1ccc(C)cc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000018156908 182095308 /nfs/dbraw/zinc/09/53/08/182095308.db2.gz ZBNSRRARPMWLMR-UHFFFAOYSA-N -1 0 320.374 1.933 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000314092361 304176810 /nfs/dbraw/zinc/17/68/10/304176810.db2.gz HHISBBAOIDGNSU-SMYYYNMVSA-N -1 0 303.314 1.894 50 0 DDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003268104 304188028 /nfs/dbraw/zinc/18/80/28/304188028.db2.gz GIXSYXMUHHKVPS-SECBINFHSA-N -1 0 323.292 1.943 50 0 DDAARM C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)CS2 ZINC000268901648 207068520 /nfs/dbraw/zinc/06/85/20/207068520.db2.gz GLODFIUWKCYZQX-LKFCYVNXSA-N -1 0 324.358 1.048 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)CCCOc2ccccc2)CCO1 ZINC000268933903 207099700 /nfs/dbraw/zinc/09/97/00/207099700.db2.gz BJETWPVYIZYOHL-CQSZACIVSA-N -1 0 307.346 1.548 50 0 DDAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc(-c2cccc(F)c2)no1 ZINC000268939229 207102692 /nfs/dbraw/zinc/10/26/92/207102692.db2.gz IVUWMTKIFANNFN-SWPVVBRQSA-N -1 0 319.292 1.774 50 0 DDAARM CCOCCCNC(=O)c1ccccc1[N-]S(=O)(=O)CC ZINC000058415110 184114806 /nfs/dbraw/zinc/11/48/06/184114806.db2.gz ILEKMKKWUOBWHV-UHFFFAOYSA-N -1 0 314.407 1.605 50 0 DDAARM CN(Cc1cccnc1)c1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065385792 184333408 /nfs/dbraw/zinc/33/34/08/184333408.db2.gz LCTIDROLBNZGSW-UHFFFAOYSA-N -1 0 309.329 1.942 50 0 DDAARM CN1CCn2cc(S(=O)(=O)[N-]c3cccc(F)c3)cc2C1=O ZINC000065254670 184318587 /nfs/dbraw/zinc/31/85/87/184318587.db2.gz PESPAJHJFXIVRK-UHFFFAOYSA-N -1 0 323.349 1.514 50 0 DDAARM Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@@H](C)c1nnn[n-]1 ZINC000065420573 184341558 /nfs/dbraw/zinc/34/15/58/184341558.db2.gz JQQCIHNFSGBUDI-QMMMGPOBSA-N -1 0 322.756 1.368 50 0 DDAARM CN(Cc1nc(C(F)(F)F)cs1)C(=O)C1(C(=O)[O-])CC1 ZINC000154955704 197007731 /nfs/dbraw/zinc/00/77/31/197007731.db2.gz DPUGSDXYYMOWET-UHFFFAOYSA-N -1 0 308.281 1.985 50 0 DDAARM Cc1ccc(N2CCC(C(=O)N(C)CCC(=O)[O-])CC2)nc1 ZINC000361975171 257236184 /nfs/dbraw/zinc/23/61/84/257236184.db2.gz VNMDFHVHQIEKBK-UHFFFAOYSA-N -1 0 305.378 1.540 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000328594922 533231601 /nfs/dbraw/zinc/23/16/01/533231601.db2.gz GCRYGZHDPIJEEQ-YVARQFDVSA-N -1 0 321.329 1.029 50 0 DDAARM CC(=O)Nc1ccc(OC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001470479 406672886 /nfs/dbraw/zinc/67/28/86/406672886.db2.gz NJMPCMBAQQCJGR-JTQLQIEISA-N -1 0 308.315 1.292 50 0 DDAARM CC(C)(C)OC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002382565 406687417 /nfs/dbraw/zinc/68/74/17/406687417.db2.gz JIYZOHCBABALOE-SECBINFHSA-N -1 0 318.370 1.879 50 0 DDAARM Cn1cccc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000069843781 406778553 /nfs/dbraw/zinc/77/85/53/406778553.db2.gz NEZRKPYKIOAEDE-UHFFFAOYSA-N -1 0 319.386 1.058 50 0 DDAARM O=C([O-])c1cc(-c2cccs2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000011801503 406829991 /nfs/dbraw/zinc/82/99/91/406829991.db2.gz CFTNFPGJYZBADA-QMMMGPOBSA-N -1 0 312.372 1.669 50 0 DDAARM Cc1cccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000012907924 406855663 /nfs/dbraw/zinc/85/56/63/406855663.db2.gz UDNLGTOETNSSFS-UHFFFAOYSA-N -1 0 314.370 1.960 50 0 DDAARM CCCC1C(=O)N=C(SCC(=O)NCc2ccco2)N=C1[O-] ZINC000013524328 406863096 /nfs/dbraw/zinc/86/30/96/406863096.db2.gz BVISEWYFZUIOFC-UHFFFAOYSA-N -1 0 323.374 1.842 50 0 DDAARM O=C([O-])C1(NC(=O)c2cn(-c3ccccc3)nn2)CCCCC1 ZINC000075572357 406935641 /nfs/dbraw/zinc/93/56/41/406935641.db2.gz JWBLJUJFEKVTJD-UHFFFAOYSA-N -1 0 314.345 1.785 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)nc2)cn1 ZINC000078556727 407034053 /nfs/dbraw/zinc/03/40/53/407034053.db2.gz YLNXAYYRBWQUHF-UHFFFAOYSA-N -1 0 321.406 1.606 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000037436292 406990003 /nfs/dbraw/zinc/99/00/03/406990003.db2.gz SMCHLATVDOUCBF-TVQRCGJNSA-N -1 0 309.749 1.967 50 0 DDAARM O=C([O-])CN(C[C@@H]1CCCO1)C(=O)Cc1cc(F)ccc1F ZINC000089768479 407148130 /nfs/dbraw/zinc/14/81/30/407148130.db2.gz BMDBCPTXZGTQKU-LBPRGKRZSA-N -1 0 313.300 1.600 50 0 DDAARM COCC[C@@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)[O-] ZINC000052784891 407157335 /nfs/dbraw/zinc/15/73/35/407157335.db2.gz GNZDETSNUWUXAM-PWSUYJOCSA-N -1 0 313.737 1.249 50 0 DDAARM Cc1cc([C@H](C)NC(=O)Cn2cc(C(=O)[O-])nn2)c(C)s1 ZINC000090716195 407171359 /nfs/dbraw/zinc/17/13/59/407171359.db2.gz PCGRVGSULZHOTQ-QMMMGPOBSA-N -1 0 308.363 1.532 50 0 DDAARM COC(=O)C[C@H](c1ccco1)c1c([O-])nc2ccccn2c1=O ZINC000096222394 407252662 /nfs/dbraw/zinc/25/26/62/407252662.db2.gz SYVQIMFUQYSDIY-SNVBAGLBSA-N -1 0 314.297 1.688 50 0 DDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@H]1CC(C(C)C)=NO1 ZINC000055183425 407196984 /nfs/dbraw/zinc/19/69/84/407196984.db2.gz AXRHMPKPWCBTDF-LLVKDONJSA-N -1 0 308.338 1.324 50 0 DDAARM CC(C)CCn1c2ccc(C(=O)[O-])cc2n([C@@H](C)C(N)=O)c1=O ZINC000055244195 407198169 /nfs/dbraw/zinc/19/81/69/407198169.db2.gz UYGOGVJOEKAOEK-JTQLQIEISA-N -1 0 319.361 1.594 50 0 DDAARM CC(C)n1cc([N-]S(=O)(=O)c2cccc3nonc32)cn1 ZINC000096476632 407270443 /nfs/dbraw/zinc/27/04/43/407270443.db2.gz HJRCTPZNGHMBSM-UHFFFAOYSA-N -1 0 307.335 1.801 50 0 DDAARM Cc1nn(C(F)F)c(C)c1CC(=O)NCC(C)(C)C(=O)[O-] ZINC000097228548 407288337 /nfs/dbraw/zinc/28/83/37/407288337.db2.gz VUWBWXKDUJRXNH-UHFFFAOYSA-N -1 0 303.309 1.665 50 0 DDAARM CCn1c2ccccc2c([O-])c(C(=O)NC[C@H]2CCCO2)c1=O ZINC000100271843 407307663 /nfs/dbraw/zinc/30/76/63/407307663.db2.gz LXHUAIQNCMEWNU-LLVKDONJSA-N -1 0 316.357 1.636 50 0 DDAARM CCOC(=O)c1c([O-])c2ccc(C)nc2n(CCOC)c1=O ZINC000100227128 407307681 /nfs/dbraw/zinc/30/76/81/407307681.db2.gz RKGBUENNCVTCPB-UHFFFAOYSA-N -1 0 306.318 1.234 50 0 DDAARM COC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccc(F)cc3)c2n1 ZINC000100651626 407308217 /nfs/dbraw/zinc/30/82/17/407308217.db2.gz MWCDPNJNZITHHP-UHFFFAOYSA-N -1 0 315.304 1.853 50 0 DDAARM CCCCn1c(=O)c(C(=O)NCCCO)c([O-])c2ccccc21 ZINC000100845701 407308425 /nfs/dbraw/zinc/30/84/25/407308425.db2.gz BUZBWLAVQCLEMM-UHFFFAOYSA-N -1 0 318.373 1.619 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@@H](C)O2)s1 ZINC000126046087 407403550 /nfs/dbraw/zinc/40/35/50/407403550.db2.gz ZDOBALHQBHFKAT-MUWHJKNJSA-N -1 0 304.393 1.132 50 0 DDAARM CC(C)CS(=O)(=O)[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000128008458 407488415 /nfs/dbraw/zinc/48/84/15/407488415.db2.gz DGXYQMGVKMPQJL-VIFPVBQESA-N -1 0 318.420 1.710 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000226087577 407614792 /nfs/dbraw/zinc/61/47/92/407614792.db2.gz BVXNGGMCLWBEBE-UHFFFAOYSA-N -1 0 317.794 1.966 50 0 DDAARM CC(C)c1cccc(OCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262007268 407707668 /nfs/dbraw/zinc/70/76/68/407707668.db2.gz VZUKUYZBZSHCLS-AWEZNQCLSA-N -1 0 307.346 1.501 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000238068725 407885221 /nfs/dbraw/zinc/88/52/21/407885221.db2.gz TZZGIRYJAUINSC-LLVKDONJSA-N -1 0 301.701 1.934 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)o1 ZINC000238119752 407894080 /nfs/dbraw/zinc/89/40/80/407894080.db2.gz PURUOCXZRGIUCO-ZDUSSCGKSA-N -1 0 305.261 1.737 50 0 DDAARM Cn1cccc(NS(=O)(=O)c2cc(Cl)ccc2[O-])c1=O ZINC000239367361 407904323 /nfs/dbraw/zinc/90/43/23/407904323.db2.gz AIKBARVUUNPHII-UHFFFAOYSA-N -1 0 314.750 1.545 50 0 DDAARM C[C@H](NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262979139 407991538 /nfs/dbraw/zinc/99/15/38/407991538.db2.gz MVEARBROEDHYIF-QMMMGPOBSA-N -1 0 318.285 1.316 50 0 DDAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000263005739 407997898 /nfs/dbraw/zinc/99/78/98/407997898.db2.gz QLDGAEIGHUYDRL-PRHODGIISA-N -1 0 315.272 1.044 50 0 DDAARM CN(C)c1ccnc(NC(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC000263033367 408005778 /nfs/dbraw/zinc/00/57/78/408005778.db2.gz KUDOGXFAPCLZCN-UHFFFAOYSA-N -1 0 307.354 1.308 50 0 DDAARM COc1ccc(F)c2[nH]c(C(=O)N3CC[C@](F)(C(=O)[O-])C3)cc21 ZINC000263550439 408169315 /nfs/dbraw/zinc/16/93/15/408169315.db2.gz WDCNTLKBVVIZMK-OAHLLOKOSA-N -1 0 324.283 1.954 50 0 DDAARM CC(C)[C@H]1OCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263571786 408178191 /nfs/dbraw/zinc/17/81/91/408178191.db2.gz JXDXOQYRCIQLID-RRFJBIMHSA-N -1 0 305.374 1.860 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCn2cnc3ccccc32)C1 ZINC000274229791 408332647 /nfs/dbraw/zinc/33/26/47/408332647.db2.gz QKJUHQZGNAETMY-GFCCVEGCSA-N -1 0 301.346 1.750 50 0 DDAARM Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cn2)n1 ZINC000191568784 408445946 /nfs/dbraw/zinc/44/59/46/408445946.db2.gz XRRAKDXUVMTJPH-NWDGAFQWSA-N -1 0 300.318 1.543 50 0 DDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc(N)n[nH]1 ZINC000248010757 408524531 /nfs/dbraw/zinc/52/45/31/408524531.db2.gz YAMKBXQHORIZLK-UHFFFAOYSA-N -1 0 307.335 1.124 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]2)CCO1 ZINC000178232697 408790753 /nfs/dbraw/zinc/79/07/53/408790753.db2.gz DVLBJTDQLMIPNY-AWEZNQCLSA-N -1 0 300.314 1.607 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 ZINC000165465818 408810733 /nfs/dbraw/zinc/81/07/33/408810733.db2.gz ZLXSUVUFWQFNOJ-JTQLQIEISA-N -1 0 316.313 1.572 50 0 DDAARM COCC[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000281624419 408898539 /nfs/dbraw/zinc/89/85/39/408898539.db2.gz FEIKDEDCHRKNCD-LLVKDONJSA-N -1 0 309.318 1.067 50 0 DDAARM Cn1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C2CCCCC2)n1 ZINC000262066470 163760802 /nfs/dbraw/zinc/76/08/02/163760802.db2.gz HXHSRJOAXFZGRC-CYBMUJFWSA-N -1 0 321.377 1.393 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2cncc3ccccc32)CC1 ZINC000262738161 163872499 /nfs/dbraw/zinc/87/24/99/163872499.db2.gz FXPAWGWBVINIHS-UHFFFAOYSA-N -1 0 300.314 1.287 50 0 DDAARM C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])C[C@@H](C)O1 ZINC000299743015 410604803 /nfs/dbraw/zinc/60/48/03/410604803.db2.gz LNJXYQXHSFZVKF-QMIVOQANSA-N -1 0 324.421 1.340 50 0 DDAARM C[C@H](Cc1cccc(Cl)c1)NC(=O)Cn1[n-]c(=O)ccc1=O ZINC000044942155 418433071 /nfs/dbraw/zinc/43/30/71/418433071.db2.gz BNBSPBIPPCBGGP-SNVBAGLBSA-N -1 0 321.764 1.350 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2SCCc3ccccc32)n1 ZINC000122869321 418505766 /nfs/dbraw/zinc/50/57/66/418505766.db2.gz PNTSIADQBGLKAP-AWEZNQCLSA-N -1 0 317.370 1.937 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CCc2ccc3c(c2)OCCO3)C1 ZINC000299742235 229379248 /nfs/dbraw/zinc/37/92/48/229379248.db2.gz JCBUVPXJSVZYCV-LBPRGKRZSA-N -1 0 305.330 1.324 50 0 DDAARM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC000299750761 229393326 /nfs/dbraw/zinc/39/33/26/229393326.db2.gz OHDHNBWDGOUENO-WQAKAFBOSA-N -1 0 302.330 1.124 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2nc3ccccc3s2)CCO1 ZINC000492178705 421210073 /nfs/dbraw/zinc/21/00/73/421210073.db2.gz FUQHJRXFFQFGSF-GZTOBOFZSA-N -1 0 318.354 1.622 50 0 DDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CCn2cc(Cl)cn2)C1 ZINC000630191946 421949697 /nfs/dbraw/zinc/94/96/97/421949697.db2.gz VVFLFSGNVYDJTH-MNOVXSKESA-N -1 0 315.757 1.017 50 0 DDAARM CN(C)C(=O)[C@@H](Nc1ncncc1CC(=O)[O-])c1ccccc1 ZINC000095362570 288993446 /nfs/dbraw/zinc/99/34/46/288993446.db2.gz IPIBEUXXUFZXFB-AWEZNQCLSA-N -1 0 314.345 1.345 50 0 DDAARM Cc1cc(C)n([C@@H](C)CC(=O)N2CCOC[C@H]2CC(=O)[O-])n1 ZINC000263260185 301246622 /nfs/dbraw/zinc/24/66/22/301246622.db2.gz GEOWYMITCNLGIT-QWHCGFSZSA-N -1 0 309.366 1.153 50 0 DDAARM CC(=O)N[C@H](Cc1ccc(-c2c(C)n[nH]c2C)cc1)C(=O)[O-] ZINC000534578514 334288488 /nfs/dbraw/zinc/28/84/88/334288488.db2.gz KGXGNGZFOTVTBV-CQSZACIVSA-N -1 0 301.346 1.825 50 0 DDAARM COc1ccc2cc(CN3CCO[C@@H](C(=O)[O-])C3)c(=O)[nH]c2c1 ZINC000534632981 334308202 /nfs/dbraw/zinc/30/82/02/334308202.db2.gz PHOZBLNVVBZJQI-CQSZACIVSA-N -1 0 318.329 1.234 50 0 DDAARM CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)NC1CCCCC1 ZINC000071405371 337366924 /nfs/dbraw/zinc/36/69/24/337366924.db2.gz FAVZGTIURBCGKQ-VIFPVBQESA-N -1 0 312.395 1.190 50 0 DDAARM Cn1ncc(C2CC2)c1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000659118106 484638983 /nfs/dbraw/zinc/63/89/83/484638983.db2.gz UMVLFDKBIIUKFI-UHFFFAOYSA-N -1 0 313.357 1.968 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2sccc2-n2cccc2)CCO1 ZINC000170000969 490679899 /nfs/dbraw/zinc/67/98/99/490679899.db2.gz RCORHDSGBXMSCA-NSHDSACASA-N -1 0 320.370 1.855 50 0 DDAARM CCn1ncnc1[C@@H](C)NC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055270731 696283034 /nfs/dbraw/zinc/28/30/34/696283034.db2.gz VAXGGDOGDIZUEN-SNVBAGLBSA-N -1 0 317.349 1.286 50 0 DDAARM Cc1cc(=O)c(COC(=O)/C=C/c2ccnc(Cl)c2)n[n-]1 ZINC000170609324 697347585 /nfs/dbraw/zinc/34/75/85/697347585.db2.gz OJUTWFWGSLZKFE-NSCUHMNNSA-N -1 0 305.721 1.883 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccnc2C(F)(F)F)CCO1 ZINC000190975071 697599575 /nfs/dbraw/zinc/59/95/75/697599575.db2.gz SPUXWMLQRYGWAO-QMMMGPOBSA-N -1 0 304.224 1.026 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCC2(F)F)C[C@H]1C(=O)[O-] ZINC000263021886 698488353 /nfs/dbraw/zinc/48/83/53/698488353.db2.gz ABFSYWIEGBVMOF-OPRDCNLKSA-N -1 0 311.350 1.404 50 0 DDAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1c(C2CC2)cnn1C ZINC000888100754 709213710 /nfs/dbraw/zinc/21/37/10/709213710.db2.gz OAORQNKDUIEZMF-SECBINFHSA-N -1 0 315.395 1.171 50 0 DDAARM O=S(=O)(NCCc1ccc(C(F)(F)F)cn1)c1ncc[n-]1 ZINC000952994506 721534512 /nfs/dbraw/zinc/53/45/12/721534512.db2.gz WBXOCLDACHHNSS-UHFFFAOYSA-N -1 0 320.296 1.345 50 0 DDAARM C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)[O-])CCc1ccccc1 ZINC000584908037 736155065 /nfs/dbraw/zinc/15/50/65/736155065.db2.gz BLUJBIZZQJUIIZ-HFBDAHEESA-N -1 0 303.358 1.878 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2cnc3ccnn3c2)c1 ZINC000585129374 771961262 /nfs/dbraw/zinc/96/12/62/771961262.db2.gz HMBLFEYLFDMCGN-UHFFFAOYSA-N -1 0 306.351 1.308 50 0 DDAARM Cc1cc(OCC(=O)N2CCOC[C@H]2C(=O)[O-])ccc1Cl ZINC000088374278 185247471 /nfs/dbraw/zinc/24/74/71/185247471.db2.gz PDUYCJFBZVOVSJ-LBPRGKRZSA-N -1 0 313.737 1.339 50 0 DDAARM CCCc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)n[nH]1 ZINC000192997366 539260927 /nfs/dbraw/zinc/26/09/27/539260927.db2.gz YLRSNWHJBCXMBY-UHFFFAOYSA-N -1 0 305.338 1.631 50 0 DDAARM O=C(CSc1n[n-]c(=S)s1)NN1Cc2ccccc2C1 ZINC000090128980 185283380 /nfs/dbraw/zinc/28/33/80/185283380.db2.gz VHLGAMJUAUPMMK-UHFFFAOYSA-N -1 0 324.456 1.966 50 0 DDAARM Cc1nc(C)c(C(=O)N[C@](C)(COc2ccccc2)C(=O)[O-])o1 ZINC000139972720 186025342 /nfs/dbraw/zinc/02/53/42/186025342.db2.gz RRAVGIVLCGXBAF-MRXNPFEDSA-N -1 0 318.329 1.944 50 0 DDAARM O=C(Nc1cnc2n1CCCC2)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000067948083 304012384 /nfs/dbraw/zinc/01/23/84/304012384.db2.gz CPOOOZZWBIAKDF-UHFFFAOYSA-N -1 0 323.356 1.951 50 0 DDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cnc(C)cn2)cc1 ZINC000072293253 191110027 /nfs/dbraw/zinc/11/00/27/191110027.db2.gz HVRACOHAXLAVDX-CYBMUJFWSA-N -1 0 315.329 1.739 50 0 DDAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)c2ccoc2C)CC1 ZINC000072432285 191165171 /nfs/dbraw/zinc/16/51/71/191165171.db2.gz YPFGQGHOCZJJSO-UHFFFAOYSA-N -1 0 317.345 1.809 50 0 DDAARM CCOc1ccc(CCN2C[C@H](C(=O)[O-])CC2=O)cc1OCC ZINC000004237763 181086826 /nfs/dbraw/zinc/08/68/26/181086826.db2.gz FURMKQFTMVIACL-CYBMUJFWSA-N -1 0 321.373 1.960 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004502795 181116185 /nfs/dbraw/zinc/11/61/85/181116185.db2.gz NHZAEKUBKUCFDG-LBPRGKRZSA-N -1 0 324.358 1.266 50 0 DDAARM Cc1cc(C(=O)NCC(=O)[O-])ccc1I ZINC000004615110 181129774 /nfs/dbraw/zinc/12/97/74/181129774.db2.gz NUIJIPONCUFFSD-UHFFFAOYSA-N -1 0 319.098 1.414 50 0 DDAARM CCOC(=O)CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1 ZINC000004853697 181163330 /nfs/dbraw/zinc/16/33/30/181163330.db2.gz QKAHSMDZCDRQNW-UHFFFAOYSA-N -1 0 318.351 1.592 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)Cn1c(=O)oc2ccccc21 ZINC000004940010 181175649 /nfs/dbraw/zinc/17/56/49/181175649.db2.gz HVZIOJDNPDCFML-UHFFFAOYSA-N -1 0 312.281 1.931 50 0 DDAARM CC[C@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000236959180 202094126 /nfs/dbraw/zinc/09/41/26/202094126.db2.gz XBBWMZFOSYJVGA-LJLILKBBSA-N -1 0 302.330 1.135 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000237282097 202216655 /nfs/dbraw/zinc/21/66/55/202216655.db2.gz KCRYFFKIJQMPKK-MNOVXSKESA-N -1 0 313.300 1.628 50 0 DDAARM C[C@H](CCc1cccn1C)NC(=O)c1ccc(C(=O)[O-])nc1 ZINC000237527197 202271613 /nfs/dbraw/zinc/27/16/13/202271613.db2.gz XPIIRYYVWYMTDD-LLVKDONJSA-N -1 0 301.346 1.869 50 0 DDAARM Cc1cc(CCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(C)s1 ZINC000237604798 202299706 /nfs/dbraw/zinc/29/97/06/202299706.db2.gz SCLBPACRVQKBNC-CYBMUJFWSA-N -1 0 311.403 2.000 50 0 DDAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1-n1cncn1 ZINC000237705099 202333801 /nfs/dbraw/zinc/33/38/01/202333801.db2.gz WHYIAFJZASMXGJ-GFCCVEGCSA-N -1 0 300.318 1.122 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1 ZINC000238051645 202429126 /nfs/dbraw/zinc/42/91/26/202429126.db2.gz ABFMGKMPTQSCEJ-ZDUSSCGKSA-N -1 0 316.357 1.803 50 0 DDAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NCc2cccnc2)C1=O ZINC000005978655 181303666 /nfs/dbraw/zinc/30/36/66/181303666.db2.gz TVERCAHQNOBXNL-ACCUITESSA-N -1 0 316.361 1.324 50 0 DDAARM O=S1(=O)N=C2CCCN2[C@@H](c2ccccc2OC(F)F)[N-]1 ZINC000006550027 181353373 /nfs/dbraw/zinc/35/33/73/181353373.db2.gz WZCGLPOSBJCZMG-NSHDSACASA-N -1 0 317.317 1.629 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CCO1 ZINC000091292871 193033209 /nfs/dbraw/zinc/03/32/09/193033209.db2.gz YRWRHJBUQHFYEA-QMMMGPOBSA-N -1 0 317.139 1.093 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCO1 ZINC000299742838 304130945 /nfs/dbraw/zinc/13/09/45/304130945.db2.gz KWBUARUFPLWLHI-ILXRZTDVSA-N -1 0 319.357 1.466 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)c2ccc(SCCO)cc2)o1 ZINC000217421469 201516057 /nfs/dbraw/zinc/51/60/57/201516057.db2.gz ZDFXUPCTVHQTOJ-UHFFFAOYSA-N -1 0 321.354 1.992 50 0 DDAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@H]1CCCCO1 ZINC000262483200 203305612 /nfs/dbraw/zinc/30/56/12/203305612.db2.gz YETBNRDKYMAMSX-AWEZNQCLSA-N -1 0 307.346 1.678 50 0 DDAARM C[C@@H](NC(=O)c1ccccc1COC1CCOCC1)C(=O)[O-] ZINC000262707153 203388460 /nfs/dbraw/zinc/38/84/60/203388460.db2.gz NJOOZIGQLOMVRR-LLVKDONJSA-N -1 0 307.346 1.585 50 0 DDAARM COC(C)(C)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000262821063 203409927 /nfs/dbraw/zinc/40/99/27/203409927.db2.gz ANRDIUJABFRHII-VIFPVBQESA-N -1 0 308.334 1.253 50 0 DDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)cn2C)C1 ZINC000262821671 203410124 /nfs/dbraw/zinc/41/01/24/203410124.db2.gz FBYFGWOXJHLYFR-AWEZNQCLSA-N -1 0 314.769 1.632 50 0 DDAARM CCN(CC(=O)NC(C)(C)C)Cc1nc(=O)c2sccc2[n-]1 ZINC000016560310 284393461 /nfs/dbraw/zinc/39/34/61/284393461.db2.gz ZQZONFVUIKUHMC-UHFFFAOYSA-N -1 0 322.434 1.721 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000238050075 304178511 /nfs/dbraw/zinc/17/85/11/304178511.db2.gz IUZOEQSXJBYBOP-CYBMUJFWSA-N -1 0 300.314 1.607 50 0 DDAARM CCOC(=O)[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000021847992 182294997 /nfs/dbraw/zinc/29/49/97/182294997.db2.gz CEYJVLFJSHAPHS-JTQLQIEISA-N -1 0 321.402 1.760 50 0 DDAARM COc1cccc2c1ccn2CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000040268568 183050000 /nfs/dbraw/zinc/05/00/00/183050000.db2.gz HBLPFHGHIRQKOY-UHFFFAOYSA-N -1 0 316.357 1.973 50 0 DDAARM CCOc1ccccc1[N-]S(=O)(=O)CCOCCOC ZINC000062127027 184207227 /nfs/dbraw/zinc/20/72/27/184207227.db2.gz IFFVHJXAEGOLPF-UHFFFAOYSA-N -1 0 303.380 1.490 50 0 DDAARM Cc1cc(Cl)ccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062132686 184207803 /nfs/dbraw/zinc/20/78/03/184207803.db2.gz VZTNCNARBWTHHB-VIFPVBQESA-N -1 0 303.767 1.744 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000269104854 207242863 /nfs/dbraw/zinc/24/28/63/207242863.db2.gz BWIFCOHLFXDHHH-SMDDNHRTSA-N -1 0 307.346 1.676 50 0 DDAARM COc1cccc(-c2n[nH]c(=O)n2-c2ccc(C(=O)[O-])cc2)c1 ZINC000065396348 184335244 /nfs/dbraw/zinc/33/52/44/184335244.db2.gz SRWJVEFGZSMQHN-UHFFFAOYSA-N -1 0 311.297 1.934 50 0 DDAARM CCc1ccccc1NC(=O)CCN1C[C@@H](C(=O)[O-])CC1=O ZINC000065526341 184359845 /nfs/dbraw/zinc/35/98/45/184359845.db2.gz NQSFBWLFFBFXNU-LBPRGKRZSA-N -1 0 304.346 1.511 50 0 DDAARM O=C1NC(=O)C2(Cc3ccccc3O[C@@H]2c2ccccc2)C(=O)N1 ZINC000263585280 257213516 /nfs/dbraw/zinc/21/35/16/257213516.db2.gz GZNXOWKMBNVVOP-CQSZACIVSA-N -1 0 322.320 1.715 50 0 DDAARM Cc1ccc2c(c1)[N-]N=C(C(=O)N1CCCCC1)S2(=O)=O ZINC000096511666 292335807 /nfs/dbraw/zinc/33/58/07/292335807.db2.gz YHMBYPPNIBCFKP-UHFFFAOYSA-N -1 0 307.375 1.520 50 0 DDAARM COC(=O)Cc1nc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])sc1C ZINC000000117988 406624551 /nfs/dbraw/zinc/62/45/51/406624551.db2.gz RLOIEFASBYYMOH-YUMQZZPRSA-N -1 0 312.347 1.216 50 0 DDAARM CC(C)CCOc1ccc(C(=O)NCC(=O)NCC(=O)[O-])cc1 ZINC000002116228 406682021 /nfs/dbraw/zinc/68/20/21/406682021.db2.gz XSOFYXNQYLIRNU-UHFFFAOYSA-N -1 0 322.361 1.042 50 0 biogenic DDAARM O=c1[n-]c(=O)c(SCc2ccc(Br)cc2)n[nH]1 ZINC000002471774 406688235 /nfs/dbraw/zinc/68/82/35/406688235.db2.gz SJWDHDATHGSGFT-UHFFFAOYSA-N -1 0 314.164 1.925 50 0 DDAARM Cc1cc(O)ccc1NC(=O)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000010186480 406819515 /nfs/dbraw/zinc/81/95/15/406819515.db2.gz SJMVFRNAOMHYAH-AWEZNQCLSA-N -1 0 318.329 1.865 50 0 DDAARM COc1ccc(-c2nnc([N-]C(=O)c3ccno3)o2)c(OC)c1 ZINC000010254068 406821432 /nfs/dbraw/zinc/82/14/32/406821432.db2.gz FDSBHQPMJQCNLY-UHFFFAOYSA-N -1 0 316.273 1.994 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000071286457 406837940 /nfs/dbraw/zinc/83/79/40/406837940.db2.gz HCZIXSADBLNRLE-ZJUUUORDSA-N -1 0 300.318 1.767 50 0 DDAARM O=C(NCc1cccc(OC2CCCCC2)c1)c1n[nH]c(=O)[n-]1 ZINC000072281552 406878490 /nfs/dbraw/zinc/87/84/90/406878490.db2.gz UABVGPZVXKPCKF-UHFFFAOYSA-N -1 0 316.361 1.740 50 0 DDAARM Cn1c([O-])c(C2=NN[C@@H](c3ccccc3)C2)c(=O)n(C)c1=S ZINC000015670672 406881353 /nfs/dbraw/zinc/88/13/53/406881353.db2.gz LNIWOTXOHGLPDR-SNVBAGLBSA-N -1 0 316.386 1.598 50 0 DDAARM CCCNC(=O)C1CCN(c2nc3[n-]cnc(=O)c3s2)CC1 ZINC000035463034 406973317 /nfs/dbraw/zinc/97/33/17/406973317.db2.gz HZHNQBHTHJCFNP-UHFFFAOYSA-N -1 0 321.406 1.535 50 0 DDAARM Cc1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000078601495 407035245 /nfs/dbraw/zinc/03/52/45/407035245.db2.gz QYRIUZVMQOZMLR-UHFFFAOYSA-N -1 0 308.363 1.235 50 0 DDAARM CCn1cc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)[O-] ZINC000036863876 406984364 /nfs/dbraw/zinc/98/43/64/406984364.db2.gz PTENGFBIDHSNLQ-JTQLQIEISA-N -1 0 300.380 1.769 50 0 DDAARM Cc1cc(F)ccc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000036961493 406984972 /nfs/dbraw/zinc/98/49/72/406984972.db2.gz YERNNAYAMOPQBJ-UHFFFAOYSA-N -1 0 301.339 1.619 50 0 DDAARM COc1cc(CCC(=O)N(C)C[C@@H](C)C(=O)[O-])cc(OC)c1 ZINC000089895805 407156317 /nfs/dbraw/zinc/15/63/17/407156317.db2.gz ZFAZUBGYAAXMHN-LLVKDONJSA-N -1 0 309.362 1.816 50 0 DDAARM O=C([O-])CN1c2ccccc2C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000096343465 407259088 /nfs/dbraw/zinc/25/90/88/407259088.db2.gz QKBULOHTRSRXBQ-AWEZNQCLSA-N -1 0 324.336 1.459 50 0 DDAARM COc1cc(F)ccc1[C@@H](C(=O)[O-])N(C)Cc1cnn(C)c1 ZINC000095383770 407212155 /nfs/dbraw/zinc/21/21/55/407212155.db2.gz ZAMKYNODSCFHHN-AWEZNQCLSA-N -1 0 307.325 1.826 50 0 DDAARM Cn1cc(N2CC[C@@H](NC(=O)c3ccc([O-])c(Cl)c3)C2)cn1 ZINC000096410560 407261803 /nfs/dbraw/zinc/26/18/03/407261803.db2.gz PYTGHBBUUZFUHS-LLVKDONJSA-N -1 0 320.780 1.788 50 0 DDAARM CCO[N-]C(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1 ZINC000057894182 407218355 /nfs/dbraw/zinc/21/83/55/407218355.db2.gz MGCKQXKRXCLWFB-CYBMUJFWSA-N -1 0 305.334 1.252 50 0 DDAARM Cc1nc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cn1C ZINC000095971192 407218818 /nfs/dbraw/zinc/21/88/18/407218818.db2.gz WMJAKLUHYWIDCI-UHFFFAOYSA-N -1 0 301.755 1.888 50 0 DDAARM Cc1ccoc1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])cn2)C1 ZINC000095982562 407220346 /nfs/dbraw/zinc/22/03/46/407220346.db2.gz VNGUJIPYNIATII-LBPRGKRZSA-N -1 0 303.318 1.960 50 0 DDAARM Cc1nc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)no1 ZINC000095994089 407221864 /nfs/dbraw/zinc/22/18/64/407221864.db2.gz WLKHVUXUJVHNBX-UHFFFAOYSA-N -1 0 305.319 1.365 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ncn(-c2ccccc2)n1 ZINC000096007307 407223630 /nfs/dbraw/zinc/22/36/30/407223630.db2.gz AKZCLBYNZQQXTG-UHFFFAOYSA-N -1 0 319.346 1.673 50 0 DDAARM CN(C)C(=O)CC[C@H]1CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000096151207 407240918 /nfs/dbraw/zinc/24/09/18/407240918.db2.gz ZPEKYJBQLCBUNS-GFCCVEGCSA-N -1 0 305.378 1.865 50 0 DDAARM O=C([O-])c1cnc(/C=C\c2cnc(N3CCOCC3)nc2)s1 ZINC000097296527 407291314 /nfs/dbraw/zinc/29/13/14/407291314.db2.gz LEZSVUSEUDCYAF-UPHRSURJSA-N -1 0 318.358 1.638 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2)CCC(=O)NCC1 ZINC000257177902 407481269 /nfs/dbraw/zinc/48/12/69/407481269.db2.gz FMSXTYNLHBYXEK-CQSZACIVSA-N -1 0 318.373 1.520 50 0 DDAARM CCn1ncnc1CN1CCC[C@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000215914650 407491697 /nfs/dbraw/zinc/49/16/97/407491697.db2.gz RKYJXIXHYHMPDO-LBPRGKRZSA-N -1 0 302.382 1.069 50 0 DDAARM CCOc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccn2)c1 ZINC000170619553 407456717 /nfs/dbraw/zinc/45/67/17/407456717.db2.gz UHBMMWOFILOWIT-UHFFFAOYSA-N -1 0 320.370 1.740 50 0 DDAARM O=C([O-])CC[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O ZINC000218712913 407522125 /nfs/dbraw/zinc/52/21/25/407522125.db2.gz YZPGPQOKYIZYTR-QMMMGPOBSA-N -1 0 302.208 1.394 50 0 DDAARM Cc1nc(-c2ccccc2)oc1C(=O)NC[C@@H](C)c1nnn[n-]1 ZINC000153481623 407835029 /nfs/dbraw/zinc/83/50/29/407835029.db2.gz SLZYUWDKCQHRRD-SECBINFHSA-N -1 0 312.333 1.697 50 0 DDAARM O=C([O-])CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000237977049 407860627 /nfs/dbraw/zinc/86/06/27/407860627.db2.gz RMUIPADBONJYSZ-SNVBAGLBSA-N -1 0 324.764 1.674 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)o1 ZINC000237981817 407860878 /nfs/dbraw/zinc/86/08/78/407860878.db2.gz ZHPQLAGUCPDCJE-CYBMUJFWSA-N -1 0 314.297 1.291 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(F)cc3nc[nH]c32)CCO1 ZINC000238057108 407879343 /nfs/dbraw/zinc/87/93/43/407879343.db2.gz QJMXHMQGNBWCPK-VIFPVBQESA-N -1 0 307.281 1.018 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)C1 ZINC000238084697 407887690 /nfs/dbraw/zinc/88/76/90/407887690.db2.gz HXGSONJKOBQOPU-OLZOCXBDSA-N -1 0 316.357 1.511 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C/c2nc3ccccc3o2)CCO1 ZINC000238127412 407894074 /nfs/dbraw/zinc/89/40/74/407894074.db2.gz HVWWMQDBNOPGKS-BTDICHCPSA-N -1 0 302.286 1.153 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2nccc3ccccc32)CCO1 ZINC000238197955 407898770 /nfs/dbraw/zinc/89/87/70/407898770.db2.gz HEAJAGXFHAYIJO-GFCCVEGCSA-N -1 0 300.314 1.551 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000240333241 407907081 /nfs/dbraw/zinc/90/70/81/407907081.db2.gz FCKVTCBNTCJBEC-CHWSQXEVSA-N -1 0 318.304 1.860 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](C)c2ccc(OC)cc2)C1 ZINC000263185572 408050117 /nfs/dbraw/zinc/05/01/17/408050117.db2.gz ZXNBUJYULZGYGP-PXAZEXFGSA-N -1 0 321.373 1.748 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(OC)c2F)C1 ZINC000263057181 408014246 /nfs/dbraw/zinc/01/42/46/408014246.db2.gz QICGQHYECXCZLO-OAHLLOKOSA-N -1 0 311.309 1.398 50 0 DDAARM O=C([O-])C1(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000154778915 408082439 /nfs/dbraw/zinc/08/24/39/408082439.db2.gz CZRHJKIVTZDAJJ-UHFFFAOYSA-N -1 0 316.357 1.729 50 0 DDAARM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)[C@@H]2CCOC2)c1 ZINC000263203284 408055414 /nfs/dbraw/zinc/05/54/14/408055414.db2.gz NZXSKPNQKOKZEY-BDJLRTHQSA-N -1 0 307.346 1.538 50 0 DDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@H](c2ccc(F)cc2)O1 ZINC000268937167 408218788 /nfs/dbraw/zinc/21/87/88/408218788.db2.gz HBJIGJMPFATWHB-WBMYTEFPSA-N -1 0 307.321 1.835 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269054350 408224868 /nfs/dbraw/zinc/22/48/68/408224868.db2.gz WTHOXYKIKBVFTB-VHDGCEQUSA-N -1 0 303.358 1.801 50 0 DDAARM Cc1cccc2[nH]c(CCC(=O)N3CC[C@H](C(=O)[O-])C3)nc21 ZINC000178264478 408796079 /nfs/dbraw/zinc/79/60/79/408796079.db2.gz TVZKOHZPBQAMNL-NSHDSACASA-N -1 0 301.346 1.737 50 0 DDAARM CN(CC(=O)N1CCCC[C@]1(C)C(=O)[O-])Cc1cccnc1 ZINC000252488263 408798506 /nfs/dbraw/zinc/79/85/06/408798506.db2.gz IOHHCSVOOPUUAW-MRXNPFEDSA-N -1 0 305.378 1.369 50 0 DDAARM Cc1cccc(OCCN(C)C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC000263272957 163942136 /nfs/dbraw/zinc/94/21/36/163942136.db2.gz MOMNZCZPXGJJDE-UHFFFAOYSA-N -1 0 315.329 1.634 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000263374447 163958439 /nfs/dbraw/zinc/95/84/39/163958439.db2.gz ZXOWTGCLTNXFSE-GJZGRUSLSA-N -1 0 319.357 1.506 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@H]2COc3ccccc3O2)n1 ZINC000316689665 164023330 /nfs/dbraw/zinc/02/33/30/164023330.db2.gz AYJPCVMUPUMTMD-LLVKDONJSA-N -1 0 320.326 1.298 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)cn1 ZINC000647744575 423027195 /nfs/dbraw/zinc/02/71/95/423027195.db2.gz FJXSKYPQUAHIKH-RHSMWYFYSA-N -1 0 311.341 1.810 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)cn1 ZINC000647744577 423028311 /nfs/dbraw/zinc/02/83/11/423028311.db2.gz FJXSKYPQUAHIKH-YOEHRIQHSA-N -1 0 311.341 1.810 50 0 DDAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCSCC1 ZINC000048600624 418473505 /nfs/dbraw/zinc/47/35/05/418473505.db2.gz IDRGNWOOTRIOQD-UHFFFAOYSA-N -1 0 307.400 1.401 50 0 DDAARM CCn1cc(CN(CCOC)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000426652013 228591938 /nfs/dbraw/zinc/59/19/38/228591938.db2.gz QIVGGNLMWRZWPR-UONOGXRCSA-N -1 0 323.393 1.379 50 0 DDAARM COc1cccc(C[C@@H](NC(=O)c2cc(C)ncn2)C(=O)[O-])c1 ZINC000630244096 421985469 /nfs/dbraw/zinc/98/54/69/421985469.db2.gz PGIDELDEOMYDBC-CQSZACIVSA-N -1 0 315.329 1.219 50 0 DDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000630252903 421989779 /nfs/dbraw/zinc/98/97/79/421989779.db2.gz QGKKUCMMSIYYBE-RHSMWYFYSA-N -1 0 303.358 1.809 50 0 DDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCc3ccccc3C2)C1 ZINC000630255236 421991417 /nfs/dbraw/zinc/99/14/17/421991417.db2.gz HTUDISXHTSOZAD-PBHICJAKSA-N -1 0 303.358 1.494 50 0 DDAARM O=C([O-])CN(C(=O)[C@@H]1Cc2cccc(F)c2O1)C1CCOCC1 ZINC000583650582 422210290 /nfs/dbraw/zinc/21/02/90/422210290.db2.gz MOYMSJJUHYYKHY-ZDUSSCGKSA-N -1 0 323.320 1.221 50 0 DDAARM COc1cccc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)oc21 ZINC000583650543 422210326 /nfs/dbraw/zinc/21/03/26/422210326.db2.gz GXMXTEDFWZYFIP-GFCCVEGCSA-N -1 0 305.286 1.367 50 0 DDAARM CC1CCC(C)(NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000069433895 281716331 /nfs/dbraw/zinc/71/63/31/281716331.db2.gz GYSQXDWJOFGZPO-UHFFFAOYSA-N -1 0 316.361 1.310 50 0 DDAARM COC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])s2)CC(C)(C)O1 ZINC000263578657 293229704 /nfs/dbraw/zinc/22/97/04/293229704.db2.gz SWJUOXDBLDYIKO-SECBINFHSA-N -1 0 313.375 1.712 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000032229231 295188350 /nfs/dbraw/zinc/18/83/50/295188350.db2.gz YGGWZEAKVMWBGI-LLVKDONJSA-N -1 0 313.375 1.713 50 0 DDAARM Cc1cc(=O)c(C(=O)N[C@@H](C)CC(=O)[O-])nn1-c1ccccc1 ZINC000095425012 301064206 /nfs/dbraw/zinc/06/42/06/301064206.db2.gz NEGLJEUIZXPZBO-JTQLQIEISA-N -1 0 315.329 1.134 50 0 DDAARM Cc1cc(C)n2ncc(C(=O)N[C@@]3(C(=O)[O-])CCSC3)c2n1 ZINC000299745460 301259803 /nfs/dbraw/zinc/25/98/03/301259803.db2.gz ZFZDJGCIMLIBLA-AWEZNQCLSA-N -1 0 320.374 1.036 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)s1 ZINC000095394374 484017153 /nfs/dbraw/zinc/01/71/53/484017153.db2.gz ZIRAZTYBMIBLGV-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DDAARM C[C@@H](C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)c1cnn(C)c1 ZINC000663140501 484699297 /nfs/dbraw/zinc/69/92/97/484699297.db2.gz DXOHGCBAPALFOS-BDJLRTHQSA-N -1 0 301.346 1.640 50 0 DDAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)[C@H](C)C(=O)[O-])cc1 ZINC000299750178 533910139 /nfs/dbraw/zinc/91/01/39/533910139.db2.gz MSBNCWVQMFVHGI-OCCSQVGLSA-N -1 0 318.373 1.418 50 0 DDAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)c3cscn3)C2)n1 ZINC000426615600 534509646 /nfs/dbraw/zinc/50/96/46/534509646.db2.gz VTCDBBSLKINBNQ-JTQLQIEISA-N -1 0 320.374 1.444 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1cc2ccccc2o1 ZINC000299750969 534539977 /nfs/dbraw/zinc/53/99/77/534539977.db2.gz OXYFGIHZVZZJCP-CYBMUJFWSA-N -1 0 303.314 1.677 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299752025 534857979 /nfs/dbraw/zinc/85/79/79/534857979.db2.gz SKJHVYMHGCLGLT-AWEZNQCLSA-N -1 0 323.393 1.010 50 0 DDAARM CC(C)(NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000299363828 527284551 /nfs/dbraw/zinc/28/45/51/527284551.db2.gz ODFMXIKKGIBURH-CYBMUJFWSA-N -1 0 307.346 1.837 50 0 DDAARM Cc1cc(C)cc(C(=O)NCC(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000263198793 539275934 /nfs/dbraw/zinc/27/59/34/539275934.db2.gz MCZJQMWPFSCFBE-TZMCWYRMSA-N -1 0 318.373 1.212 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000262932871 539275964 /nfs/dbraw/zinc/27/59/64/539275964.db2.gz PBUPMWQLRFMUKG-RHSMWYFYSA-N -1 0 303.358 1.666 50 0 DDAARM COc1ccc(O[C@H](C)C(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000095408880 185356715 /nfs/dbraw/zinc/35/67/15/185356715.db2.gz GHLJZDMWWPEQID-LLVKDONJSA-N -1 0 307.346 1.976 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnn(-c3ccccc3F)c2)C1 ZINC000095424101 185361443 /nfs/dbraw/zinc/36/14/43/185361443.db2.gz YRTRKRIRCSHARC-NSHDSACASA-N -1 0 317.320 1.948 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000069699546 190805343 /nfs/dbraw/zinc/80/53/43/190805343.db2.gz UUPLVLSHFQCHGI-GFCCVEGCSA-N -1 0 301.339 1.454 50 0 DDAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc(OC)c1C ZINC000072274545 191096570 /nfs/dbraw/zinc/09/65/70/191096570.db2.gz FRKQJGIPMQVHSJ-UHFFFAOYSA-N -1 0 307.346 1.949 50 0 DDAARM O=S(=O)([N-][C@@]1(C(F)(F)F)CCOC1)c1ccccc1F ZINC000253395117 186304019 /nfs/dbraw/zinc/30/40/19/186304019.db2.gz MPFWYXWUDPYKPK-JTQLQIEISA-N -1 0 313.272 1.825 50 0 DDAARM C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)CC[C@@H]1C(=O)[O-] ZINC000262860422 186314488 /nfs/dbraw/zinc/31/44/88/186314488.db2.gz FIDBHOKXPABSHF-YPMHNXCESA-N -1 0 301.346 1.606 50 0 DDAARM O=C(Nc1nncs1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621328 304022690 /nfs/dbraw/zinc/02/26/90/304022690.db2.gz UTDPSMATBYZINZ-UHFFFAOYSA-N -1 0 314.326 1.367 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2ccncc2F)CC1 ZINC000072426780 191161949 /nfs/dbraw/zinc/16/19/49/191161949.db2.gz YJWFSZBSPGMFPI-UHFFFAOYSA-N -1 0 318.308 1.133 50 0 DDAARM C[C@H](NC(=O)CCCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075252277 353356769 /nfs/dbraw/zinc/35/67/69/353356769.db2.gz HNURXPFJBXGPDQ-VIFPVBQESA-N -1 0 323.305 1.293 50 0 DDAARM CCC(=O)N1CCc2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)ccc21 ZINC000236780269 202004696 /nfs/dbraw/zinc/00/46/96/202004696.db2.gz AVKJUZVFQYZVFB-ZDUSSCGKSA-N -1 0 316.357 1.532 50 0 DDAARM CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCC(=O)[O-] ZINC000004351354 181100939 /nfs/dbraw/zinc/10/09/39/181100939.db2.gz UIFVGGFCSVBKTB-WDZFZDKYSA-N -1 0 322.342 1.687 50 0 DDAARM Cc1n[nH]cc1S(=O)(=O)[N-]C(=O)c1cccnc1OC(C)C ZINC000585135987 354812158 /nfs/dbraw/zinc/81/21/58/354812158.db2.gz LCBQMXGCNWAZCP-UHFFFAOYSA-N -1 0 324.362 1.019 50 0 DDAARM CN(CC(=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000074934177 191389510 /nfs/dbraw/zinc/38/95/10/191389510.db2.gz MNTLCOOQWNCZTF-UHFFFAOYSA-N -1 0 300.361 1.221 50 0 DDAARM CC(C)N1C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)CC1=O ZINC000236835302 202030868 /nfs/dbraw/zinc/03/08/68/202030868.db2.gz AKVLIWHYEHAHMM-WDEREUQCSA-N -1 0 324.402 1.637 50 0 DDAARM CCOCc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)[O-])cc1 ZINC000237001280 202116021 /nfs/dbraw/zinc/11/60/21/202116021.db2.gz QKQLKAFZRYOKLD-OAHLLOKOSA-N -1 0 320.389 1.388 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000237174353 202177749 /nfs/dbraw/zinc/17/77/49/202177749.db2.gz DMSXUEAODVMMOI-ZGRWHYIRSA-N -1 0 316.357 1.383 50 0 DDAARM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237376170 202247731 /nfs/dbraw/zinc/24/77/31/202247731.db2.gz QIBLDOWGXHVLGA-MCIONIFRSA-N -1 0 312.410 1.247 50 0 DDAARM CCCNc1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000065417368 283398830 /nfs/dbraw/zinc/39/88/30/283398830.db2.gz MEECDHQQIURKQJ-UONOGXRCSA-N -1 0 306.362 1.559 50 0 DDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1Cl ZINC000005996077 304082348 /nfs/dbraw/zinc/08/23/48/304082348.db2.gz BPVUFGBMXKHRQH-NSHDSACASA-N -1 0 300.717 1.254 50 0 DDAARM CC(C)C(=O)N1CCC[C@H](C(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000089775658 192864316 /nfs/dbraw/zinc/86/43/16/192864316.db2.gz JVJWPLRZVJDCAT-ZDUSSCGKSA-N -1 0 324.421 1.785 50 0 DDAARM Cc1c(C(=O)NC2(C(=O)[O-])CC2)nnn1-c1cccc(Cl)c1 ZINC000237768352 202349888 /nfs/dbraw/zinc/34/98/88/202349888.db2.gz QDAGGWPXAXZZLS-UHFFFAOYSA-N -1 0 320.736 1.576 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)CCC1 ZINC000237939327 202399038 /nfs/dbraw/zinc/39/90/38/202399038.db2.gz JPDHBGPKBRTLIW-SNVBAGLBSA-N -1 0 306.293 1.375 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000058473483 304099667 /nfs/dbraw/zinc/09/96/67/304099667.db2.gz RCMSONRCGLEUEM-NWDGAFQWSA-N -1 0 300.314 1.536 50 0 DDAARM COc1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)o1 ZINC000091444922 193056589 /nfs/dbraw/zinc/05/65/89/193056589.db2.gz MVFRZFODRQUSDW-NWDGAFQWSA-N -1 0 316.313 1.624 50 0 DDAARM CCc1nccn1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091745803 193100796 /nfs/dbraw/zinc/10/07/96/193100796.db2.gz RPAQDCGUEXBKKF-QWHCGFSZSA-N -1 0 307.394 1.651 50 0 DDAARM CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)Cc1n[nH]c(=O)[n-]1 ZINC000091626814 193081943 /nfs/dbraw/zinc/08/19/43/193081943.db2.gz WDJMCTOZZDKUGD-UHFFFAOYSA-N -1 0 321.356 1.476 50 0 DDAARM CCN(C)S(=O)(=O)N1CCC[C@@](CC=C(C)C)(C(=O)[O-])C1 ZINC000091871867 193120925 /nfs/dbraw/zinc/12/09/25/193120925.db2.gz OGXWTTHVWJCVFP-AWEZNQCLSA-N -1 0 318.439 1.706 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000088375694 304135490 /nfs/dbraw/zinc/13/54/90/304135490.db2.gz VLALIJOVJRXOCA-JTQLQIEISA-N -1 0 304.129 1.919 50 0 DDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262169590 203217988 /nfs/dbraw/zinc/21/79/88/203217988.db2.gz QJMGOXAOKMHUBJ-BPLDGKMQSA-N -1 0 316.357 1.705 50 0 DDAARM O=S(=O)([N-]c1ccnc2ncnn21)c1ccc(Cl)s1 ZINC000096013488 193490348 /nfs/dbraw/zinc/49/03/48/193490348.db2.gz XCKPHKMKDSHEJT-UHFFFAOYSA-N -1 0 315.767 1.640 50 0 DDAARM O=C(CN1C(=O)c2ccccc2C1=O)[N-]OCc1ccccc1 ZINC000008096666 181526172 /nfs/dbraw/zinc/52/61/72/181526172.db2.gz VGPNPWYRVRACLQ-UHFFFAOYSA-N -1 0 310.309 1.531 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCNC(=O)C1CCCCC1 ZINC000159887155 304176883 /nfs/dbraw/zinc/17/68/83/304176883.db2.gz OZJYCFOUQNVLFF-CYBMUJFWSA-N -1 0 310.394 1.539 50 0 DDAARM COc1cccc([C@@H](C)NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020318458 182206467 /nfs/dbraw/zinc/20/64/67/182206467.db2.gz GHAVBOCRDUYDQL-SECBINFHSA-N -1 0 303.318 1.618 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000092632 304180619 /nfs/dbraw/zinc/18/06/19/304180619.db2.gz JDTVYLYLRFCWMK-LLVKDONJSA-N -1 0 303.767 1.968 50 0 DDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(F)c3ncccc23)n1 ZINC000024579317 182384278 /nfs/dbraw/zinc/38/42/78/182384278.db2.gz BHXVNCVSYUFPRE-UHFFFAOYSA-N -1 0 306.322 1.908 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000299747478 304199515 /nfs/dbraw/zinc/19/95/15/304199515.db2.gz DDFGAVXSLQYYQM-DGCLKSJQSA-N -1 0 305.330 1.255 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1SCCc2sccc21 ZINC000269001390 304200053 /nfs/dbraw/zinc/20/00/53/304200053.db2.gz YQUDPKBKYGQGAV-MWLCHTKSSA-N -1 0 313.400 1.391 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(Br)c2)CCO1 ZINC000043701967 183381815 /nfs/dbraw/zinc/38/18/15/183381815.db2.gz RVZVSLLYCJDFMK-ZETCQYMHSA-N -1 0 320.164 1.436 50 0 DDAARM C[C@H]1CCc2sc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2C1 ZINC000043702299 183381965 /nfs/dbraw/zinc/38/19/65/183381965.db2.gz XYTVADQQOPZADS-ONGXEEELSA-N -1 0 309.387 1.799 50 0 DDAARM CCOc1ccc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000268938981 207103608 /nfs/dbraw/zinc/10/36/08/207103608.db2.gz DGLRRLOMHDAKHP-OAHLLOKOSA-N -1 0 321.373 1.720 50 0 DDAARM COc1ccccc1NC(=O)[C@H](Cc1cccnc1)c1nnn[n-]1 ZINC000057523555 184040736 /nfs/dbraw/zinc/04/07/36/184040736.db2.gz IDUXZWRVYFWETG-GFCCVEGCSA-N -1 0 324.344 1.568 50 0 DDAARM Cc1cc(C)cc(OCCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268985169 207143166 /nfs/dbraw/zinc/14/31/66/207143166.db2.gz PFYAHVVADTUDQR-CQSZACIVSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@@H]1CCc2ccccc2C1 ZINC000268995108 207151656 /nfs/dbraw/zinc/15/16/56/207151656.db2.gz VNMKHVXDPAIZQE-DOMZBBRYSA-N -1 0 303.358 1.494 50 0 DDAARM CCn1cc(Br)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062119180 184206796 /nfs/dbraw/zinc/20/67/96/184206796.db2.gz BTLUFANGEWXRBF-MRVPVSSYSA-N -1 0 315.167 1.817 50 0 DDAARM Cc1cccc(C(C)C)c1NC(=O)CN[C@@H](C)c1nnn[n-]1 ZINC000065386319 184333148 /nfs/dbraw/zinc/33/31/48/184333148.db2.gz SPOKHGUOCHXPEA-NSHDSACASA-N -1 0 302.382 1.921 50 0 DDAARM COc1ccccc1[C@H](C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299748937 533000320 /nfs/dbraw/zinc/00/03/20/533000320.db2.gz IOAAARSFMNEHAB-BXUZGUMPSA-N -1 0 307.346 1.501 50 0 DDAARM COc1ccccc1/C(C)=C/C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268977184 257257280 /nfs/dbraw/zinc/25/72/80/257257280.db2.gz KSGOARUBRAMAGC-STRFDMGBSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)no1 ZINC000000093378 406621028 /nfs/dbraw/zinc/62/10/28/406621028.db2.gz YLFRSFMRJHTOTG-UHFFFAOYSA-N -1 0 321.358 1.911 50 0 DDAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000002172622 406685457 /nfs/dbraw/zinc/68/54/57/406685457.db2.gz MWOJWUBBCZRMTB-CYBMUJFWSA-N -1 0 308.334 1.138 50 0 DDAARM Cn1c2ccccc2c(CC(=O)N2CCN(C)CC2)c1C(=O)[O-] ZINC000002456244 406686434 /nfs/dbraw/zinc/68/64/34/406686434.db2.gz KFXCKSASZLIPEU-UHFFFAOYSA-N -1 0 315.373 1.193 50 0 DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 ZINC000002620226 406692460 /nfs/dbraw/zinc/69/24/60/406692460.db2.gz ZIIVHPIAJQYXRH-VIFPVBQESA-N -1 0 303.767 1.825 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)cc1 ZINC000000292586 406639811 /nfs/dbraw/zinc/63/98/11/406639811.db2.gz PMDSJEXWWAYJPT-UHFFFAOYSA-N -1 0 312.376 1.606 50 0 DDAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1nccs1 ZINC000069562032 406735186 /nfs/dbraw/zinc/73/51/86/406735186.db2.gz SZWYHTJLFXZZCJ-UHFFFAOYSA-N -1 0 304.374 1.792 50 0 DDAARM CNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000007779722 406767442 /nfs/dbraw/zinc/76/74/42/406767442.db2.gz NGFJUFZFLGZIBA-MNOVXSKESA-N -1 0 302.330 1.652 50 0 DDAARM Cc1cc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)no1 ZINC000069771626 406769171 /nfs/dbraw/zinc/76/91/71/406769171.db2.gz TXHFBKMKSFLBIJ-UHFFFAOYSA-N -1 0 315.333 1.919 50 0 DDAARM CCOCCNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000069453013 406714725 /nfs/dbraw/zinc/71/47/25/406714725.db2.gz IHGZEDVUEXSVMQ-UHFFFAOYSA-N -1 0 320.798 1.478 50 0 DDAARM Nc1nnc(SCC(=O)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000009026886 406800397 /nfs/dbraw/zinc/80/03/97/406800397.db2.gz TVOAJKALWQGDLA-UHFFFAOYSA-N -1 0 324.387 1.227 50 0 DDAARM COc1cccc(CNC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1OC ZINC000071280056 406835955 /nfs/dbraw/zinc/83/59/55/406835955.db2.gz CWNZWRKGAGVUNU-NWDGAFQWSA-N -1 0 307.346 1.677 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000071286454 406837712 /nfs/dbraw/zinc/83/77/12/406837712.db2.gz HCZIXSADBLNRLE-NXEZZACHSA-N -1 0 300.318 1.767 50 0 DDAARM CC(C)CNC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000012415301 406845761 /nfs/dbraw/zinc/84/57/61/406845761.db2.gz KEGRZKKNAXWNKU-UHFFFAOYSA-N -1 0 309.391 1.561 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012649736 406850017 /nfs/dbraw/zinc/85/00/17/406850017.db2.gz CRHBLLDNNBKIOW-OLZOCXBDSA-N -1 0 305.378 1.662 50 0 DDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000072275638 406877264 /nfs/dbraw/zinc/87/72/64/406877264.db2.gz DINNQOWLDYFKAV-OQPBUACISA-N -1 0 317.263 1.725 50 0 DDAARM CCn1ccc(-c2cc(C(=O)OC)n3nc(C(=O)[O-])cc3n2)n1 ZINC000020605746 406888172 /nfs/dbraw/zinc/88/81/72/406888172.db2.gz SWMQWFWUTNDZJD-UHFFFAOYSA-N -1 0 315.289 1.098 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2nc(C(=O)[O-])cs2)CC1 ZINC000071490116 406841275 /nfs/dbraw/zinc/84/12/75/406841275.db2.gz FMSFMUBALWPCQM-UHFFFAOYSA-N -1 0 313.379 1.898 50 0 DDAARM O=C([O-])CSc1nc2ccccc2nc1N1CCOCC1 ZINC000036724642 406983174 /nfs/dbraw/zinc/98/31/74/406983174.db2.gz AOYDTDGDJYBVTF-UHFFFAOYSA-N -1 0 305.359 1.643 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc2c(c1)NC(=O)CS2)C1CC1 ZINC000037588925 406991968 /nfs/dbraw/zinc/99/19/68/406991968.db2.gz IWZNOGQQVZHZQU-UHFFFAOYSA-N -1 0 306.343 1.420 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1N(C)C ZINC000089644169 407143083 /nfs/dbraw/zinc/14/30/83/407143083.db2.gz FNHSMXFLUFSVPI-UHFFFAOYSA-N -1 0 308.359 1.773 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090939538 407173504 /nfs/dbraw/zinc/17/35/04/407173504.db2.gz PIDIACKKIUSJQX-UHFFFAOYSA-N -1 0 308.363 1.164 50 0 DDAARM O=C([O-])c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 ZINC000096006955 407222509 /nfs/dbraw/zinc/22/25/09/407222509.db2.gz PMUGFEHSYQXACL-UHFFFAOYSA-N -1 0 323.312 1.677 50 0 DDAARM Cc1ccc(C[C@H](CNC(=O)c2cnn(C)c2)C(=O)[O-])cc1 ZINC000096480548 407270968 /nfs/dbraw/zinc/27/09/68/407270968.db2.gz HSSCCDJNAMNHSE-CYBMUJFWSA-N -1 0 301.346 1.402 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2cnc(Cl)cn2)c1Cl ZINC000097117312 407281525 /nfs/dbraw/zinc/28/15/25/407281525.db2.gz NVELGEAEXDLCLK-UHFFFAOYSA-N -1 0 308.150 1.318 50 0 DDAARM O=C(Cc1csc(-c2ccccc2)n1)NCc1nnn[n-]1 ZINC000097679876 407301369 /nfs/dbraw/zinc/30/13/69/407301369.db2.gz YCVNQBVEJBLCKW-UHFFFAOYSA-N -1 0 300.347 1.182 50 0 DDAARM CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1ccncc1[O-] ZINC000222439478 407556670 /nfs/dbraw/zinc/55/66/70/407556670.db2.gz MEPSYHAQQROHLS-NSHDSACASA-N -1 0 305.378 1.506 50 0 DDAARM CC(C)[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000236715902 407758320 /nfs/dbraw/zinc/75/83/20/407758320.db2.gz IRCUJPSGQNMPHT-CQSZACIVSA-N -1 0 304.346 1.652 50 0 DDAARM CC[C@@H](NC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O)C(=O)[O-] ZINC000236914809 286870204 /nfs/dbraw/zinc/87/02/04/286870204.db2.gz IZUAFGCHBMLQNL-HUUCEWRRSA-N -1 0 318.373 1.502 50 0 DDAARM CC(=O)N1CCC(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])CC1 ZINC000262426683 407830764 /nfs/dbraw/zinc/83/07/64/407830764.db2.gz FMEWWGBANBTERT-ZNMIVQPWSA-N -1 0 322.405 1.489 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1 ZINC000238043253 407875610 /nfs/dbraw/zinc/87/56/10/407875610.db2.gz JNTSIKGZUCJSHT-UHFFFAOYSA-N -1 0 317.320 1.948 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3ccoc3)n2)CCO1 ZINC000262893790 407962722 /nfs/dbraw/zinc/96/27/22/407962722.db2.gz APPCWHICQVTNNA-JTQLQIEISA-N -1 0 308.315 1.329 50 0 DDAARM Cc1c(Cl)cccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262903762 407966621 /nfs/dbraw/zinc/96/66/21/407966621.db2.gz BSDNJZNVPLIIGQ-LBPRGKRZSA-N -1 0 313.737 1.339 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CCO1 ZINC000263013542 408001946 /nfs/dbraw/zinc/00/19/46/408001946.db2.gz RLSCKJCIFNAXGD-OAHLLOKOSA-N -1 0 319.357 1.934 50 0 DDAARM CCO[C@@H]1C[C@H]1C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000263240285 408071642 /nfs/dbraw/zinc/07/16/42/408071642.db2.gz TZQGRQYELAPLSF-CHWSQXEVSA-N -1 0 307.350 1.170 50 0 DDAARM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nc(C(F)(F)F)n1 ZINC000263324429 408107896 /nfs/dbraw/zinc/10/78/96/408107896.db2.gz OJJACCVZNLNENJ-KNVOCYPGSA-N -1 0 303.240 1.397 50 0 DDAARM Cc1ccc(F)cc1CN1CCO[C@H](C[N@@H+](C)CC(=O)[O-])C1 ZINC000263515993 408162232 /nfs/dbraw/zinc/16/22/32/408162232.db2.gz ORLFWUOHUNERAI-OAHLLOKOSA-N -1 0 310.369 1.351 50 0 DDAARM Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cn2)n1 ZINC000191568771 408446402 /nfs/dbraw/zinc/44/64/02/408446402.db2.gz XRRAKDXUVMTJPH-VXGBXAGGSA-N -1 0 300.318 1.543 50 0 DDAARM O=C([O-])Cc1ccc(NC(=O)CN2CCCCCC2=O)cc1F ZINC000263265956 163940238 /nfs/dbraw/zinc/94/02/38/163940238.db2.gz VJTPMCBJRLTCRS-UHFFFAOYSA-N -1 0 322.336 1.794 50 0 DDAARM NC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000314439979 409825962 /nfs/dbraw/zinc/82/59/62/409825962.db2.gz HDGZOWHVJYPAFX-UJZCVKTISA-N -1 0 302.330 1.122 50 0 DDAARM Cc1nc([C@@H]2CCOC2)cc(N2CCC(C)(C(=O)[O-])CC2)n1 ZINC000299776756 410620095 /nfs/dbraw/zinc/62/00/95/410620095.db2.gz LJNMLGSPXDAXPR-GFCCVEGCSA-N -1 0 305.378 1.980 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cccc(N3CCCC3=O)c2)C1 ZINC000044979115 418436754 /nfs/dbraw/zinc/43/67/54/418436754.db2.gz LYUOJEZIPLTRGM-LBPRGKRZSA-N -1 0 302.330 1.247 50 0 DDAARM O=C(NCCCc1nnn[n-]1)c1c[nH]nc1-c1cccs1 ZINC000426358560 419446550 /nfs/dbraw/zinc/44/65/50/419446550.db2.gz POFFONLHYALABF-UHFFFAOYSA-N -1 0 303.351 1.014 50 0 DDAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1S(C)(=O)=O ZINC000299742726 229379850 /nfs/dbraw/zinc/37/98/50/229379850.db2.gz ISOIQMRASRNRRP-UHFFFAOYSA-N -1 0 311.359 1.088 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CCOCC1 ZINC000299748614 229392166 /nfs/dbraw/zinc/39/21/66/229392166.db2.gz HROFJFQCHVGDSD-ZIAGYGMSSA-N -1 0 303.358 1.572 50 0 DDAARM Cc1cnccc1C=CC(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000493149664 420770056 /nfs/dbraw/zinc/77/00/56/420770056.db2.gz IUNWDRBVSHRZDG-IHVVCDCBSA-N -1 0 313.361 1.633 50 0 DDAARM O=C([O-])CC1(NC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)CCOCC1 ZINC000630133406 421908039 /nfs/dbraw/zinc/90/80/39/421908039.db2.gz YREBTSHCNVQGGN-VNQPRFMTSA-N -1 0 315.369 1.712 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C\c1cccc2cccnc12 ZINC000606441492 422459072 /nfs/dbraw/zinc/45/90/72/422459072.db2.gz BIHIPOPMPKONMI-AFNCTOJWSA-N -1 0 312.325 1.560 50 0 DDAARM CC(=O)NCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095374693 278093074 /nfs/dbraw/zinc/09/30/74/278093074.db2.gz TVWFUTXDSFPXPT-AWEZNQCLSA-N -1 0 304.346 1.227 50 0 DDAARM CC(C)(C)OC(=O)N1CCN(c2ccccn2)[C@H](C(=O)[O-])C1 ZINC000074941213 278400292 /nfs/dbraw/zinc/40/02/92/278400292.db2.gz TYXQKQMFQGUHLW-NSHDSACASA-N -1 0 307.350 1.592 50 0 DDAARM O=C([N-]c1nnc(-c2ccc3c(c2)OCCO3)o1)c1ccno1 ZINC000010254081 280066873 /nfs/dbraw/zinc/06/68/73/280066873.db2.gz CJYWFTOPQXVVBU-UHFFFAOYSA-N -1 0 314.257 1.748 50 0 DDAARM CC1=C(C)C[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H](C(=O)[O-])C1 ZINC000006698961 281661798 /nfs/dbraw/zinc/66/17/98/281661798.db2.gz XXBQGGRUDNJBIH-ZIAGYGMSSA-N -1 0 323.389 1.799 50 0 DDAARM CC[C@](NC(=O)c1cn(C)nc1C)(C(=O)[O-])c1ccccc1 ZINC000262430744 288422103 /nfs/dbraw/zinc/42/21/03/288422103.db2.gz OGEAABCIFGXROL-MRXNPFEDSA-N -1 0 301.346 1.848 50 0 DDAARM CCc1nccn1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000426572999 288640601 /nfs/dbraw/zinc/64/06/01/288640601.db2.gz DBOBFEUTXLCQPK-HNNXBMFYSA-N -1 0 301.346 1.778 50 0 DDAARM CN(C)C(=O)[C@H](Nc1ncncc1CC(=O)[O-])c1ccccc1 ZINC000095362569 289015553 /nfs/dbraw/zinc/01/55/53/289015553.db2.gz IPIBEUXXUFZXFB-CQSZACIVSA-N -1 0 314.345 1.345 50 0 DDAARM COc1ccc(C[C@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000263516920 295139100 /nfs/dbraw/zinc/13/91/00/295139100.db2.gz FBXAHFUXDIDWME-AAEUAGOBSA-N -1 0 321.373 1.958 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CSc3ccccc3O2)C1 ZINC000299744792 300783353 /nfs/dbraw/zinc/78/33/53/300783353.db2.gz PYADUHFDDOSXAZ-NHYWBVRUSA-N -1 0 307.371 1.863 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 ZINC000237649593 300783885 /nfs/dbraw/zinc/78/38/85/300783885.db2.gz LZWAVEZRVFYJQN-ZBEGNZNMSA-N -1 0 302.330 1.436 50 0 DDAARM Cn1ncc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c1C(F)F ZINC000529703507 303145925 /nfs/dbraw/zinc/14/59/25/303145925.db2.gz FFOJEXMSGASOPL-UHFFFAOYSA-N -1 0 313.333 1.935 50 0 DDAARM Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n(-c2ccccn2)n1 ZINC000071281496 331921552 /nfs/dbraw/zinc/92/15/52/331921552.db2.gz MDIOIPVYVXCQTM-OLZOCXBDSA-N -1 0 314.345 1.871 50 0 DDAARM CCc1cc2c(ncnc2N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)s1 ZINC000662895838 484527190 /nfs/dbraw/zinc/52/71/90/484527190.db2.gz HNLRRBMRKSTVJN-XROYCOCOSA-N -1 0 307.375 1.890 50 0 DDAARM O=C([O-])CN(C(=O)COc1ccc(F)cc1)C1CCOCC1 ZINC000299750942 534499329 /nfs/dbraw/zinc/49/93/29/534499329.db2.gz OVJYINFJRCLHEV-UHFFFAOYSA-N -1 0 311.309 1.297 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1cc2ccccc2o1 ZINC000492144068 534539720 /nfs/dbraw/zinc/53/97/20/534539720.db2.gz YTFPDKXEYDMLEB-CFHLNLSMSA-N -1 0 301.298 1.758 50 0 DDAARM CC(C)(C)NC(=O)N1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426408922 526316917 /nfs/dbraw/zinc/31/69/17/526316917.db2.gz JSMUJIWTWAVNDI-LLVKDONJSA-N -1 0 308.382 1.655 50 0 DDAARM CC(C)(CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000299748075 527157989 /nfs/dbraw/zinc/15/79/89/527157989.db2.gz FXMPQNJETYRISH-QWRGUYRKSA-N -1 0 305.330 1.530 50 0 DDAARM Cc1nc2c(c(=O)[nH]1)CN(CCC(=O)Nc1cccc(F)c1)C2 ZINC000585133790 771963807 /nfs/dbraw/zinc/96/38/07/771963807.db2.gz VLWCVJXRZZWTDN-UHFFFAOYSA-N -1 0 316.336 1.974 50 0 DDAARM Cc1nc(C(C)C)sc1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000095510722 185376036 /nfs/dbraw/zinc/37/60/36/185376036.db2.gz MRFOXZMFRHCWDN-JTQLQIEISA-N -1 0 322.390 1.724 50 0 DDAARM CN(C)[C@H](C(=O)N1CCC(C(=O)[O-])CC1)c1ccc(F)cc1 ZINC000095527272 185378306 /nfs/dbraw/zinc/37/83/06/185378306.db2.gz GNLHPWPMEFQZBE-AWEZNQCLSA-N -1 0 308.353 1.752 50 0 DDAARM CC(C)c1ncc(Cl)c(C(=O)N2CCOC[C@@H]2C(=O)[O-])n1 ZINC000088374048 185247146 /nfs/dbraw/zinc/24/71/46/185247146.db2.gz QBQGWQNOLVJMCW-SECBINFHSA-N -1 0 313.741 1.179 50 0 DDAARM CC1(C)[C@H](C(=O)NNC(=O)[C@H]2CC23CCC3)CC[C@]1(C)C(=O)[O-] ZINC000252320865 539274578 /nfs/dbraw/zinc/27/45/78/539274578.db2.gz ZLMAKDIFBKUXJD-LYOVBCGYSA-N -1 0 322.405 1.851 50 0 DDAARM Cc1nc(C[C@H]2CCCN(c3cnc(C(=O)[O-])cn3)C2)no1 ZINC000263528653 539276195 /nfs/dbraw/zinc/27/61/95/539276195.db2.gz VIMQAVCTGAHBHU-SNVBAGLBSA-N -1 0 303.322 1.325 50 0 DDAARM CCOc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1OC ZINC000095403629 185355260 /nfs/dbraw/zinc/35/52/60/185355260.db2.gz CAGVPOIRQBBWRR-LBPRGKRZSA-N -1 0 323.345 1.410 50 0 DDAARM Cn1cc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)ccc1=O ZINC000095424561 185361343 /nfs/dbraw/zinc/36/13/43/185361343.db2.gz AZXVYTYWKSOQLA-INIZCTEOSA-N -1 0 300.314 1.115 50 0 DDAARM C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)CC(=O)[O-] ZINC000097045147 185402237 /nfs/dbraw/zinc/40/22/37/185402237.db2.gz AHYIEUGLLHPPJZ-LBPRGKRZSA-N -1 0 301.346 1.772 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000263541220 295795151 /nfs/dbraw/zinc/79/51/51/295795151.db2.gz CWMLIAKWGZIBLB-KCJUWKMLSA-N -1 0 310.737 1.060 50 0 DDAARM O=C(NC[C@@]1(CCO)CCOC1)c1ccc2[n-]c(=S)oc2c1 ZINC000152519826 186081353 /nfs/dbraw/zinc/08/13/53/186081353.db2.gz KAYPSGMLAXHQNZ-OAHLLOKOSA-N -1 0 322.386 1.635 50 0 DDAARM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1ccncc1Cl ZINC000194304259 186279492 /nfs/dbraw/zinc/27/94/92/186279492.db2.gz GCCREYHLRMAEMK-UHFFFAOYSA-N -1 0 316.708 1.256 50 0 DDAARM Cc1noc(C)c1C[C@@H](C)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237469157 186294072 /nfs/dbraw/zinc/29/40/72/186294072.db2.gz UYELOERJQSCHEF-BXKDBHETSA-N -1 0 310.350 1.172 50 0 DDAARM Cc1ccc(CN2C[C@H](C(=O)NC[C@@H](C)C(=O)[O-])CC2=O)cc1 ZINC000237471276 186294870 /nfs/dbraw/zinc/29/48/70/186294870.db2.gz JHRUAXWPPCZOPE-TZMCWYRMSA-N -1 0 318.373 1.180 50 0 DDAARM O=C([O-])CNC(=O)N1CCN(c2nsc3ccccc32)CC1 ZINC000072401475 191150839 /nfs/dbraw/zinc/15/08/39/191150839.db2.gz ZOUNDNZGZISDBR-UHFFFAOYSA-N -1 0 320.374 1.213 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CC34CCC4)CC2)c1 ZINC000072435356 191165893 /nfs/dbraw/zinc/16/58/93/191165893.db2.gz QJSSCLJMWODGLD-ZDUSSCGKSA-N -1 0 317.389 1.784 50 0 DDAARM O=C([O-])[C@@H]1CN(Cc2cnc(C3CCCCC3)nc2)CCO1 ZINC000072440616 191167467 /nfs/dbraw/zinc/16/74/67/191167467.db2.gz HNGYAUXLHUXBIS-AWEZNQCLSA-N -1 0 305.378 1.810 50 0 DDAARM O=C(N[C@H]1CCc2c1ccc(Cl)c2Cl)c1n[nH]c(=O)[n-]1 ZINC000072282461 353196719 /nfs/dbraw/zinc/19/67/19/353196719.db2.gz UFEPIESBSSXLPF-QMMMGPOBSA-N -1 0 313.144 1.822 50 0 DDAARM COc1ccc2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc2c1 ZINC000004062158 181068349 /nfs/dbraw/zinc/06/83/49/181068349.db2.gz SAEJYJXOGKPKBH-UHFFFAOYSA-N -1 0 319.313 1.243 50 0 biogenic DDAARM CCN(CC)C(=O)Cn1cnc2sc(C(=O)[O-])c(C)c2c1=O ZINC000004648028 181131291 /nfs/dbraw/zinc/13/12/91/181131291.db2.gz DNJZAEFWUKFJIJ-UHFFFAOYSA-N -1 0 323.374 1.333 50 0 DDAARM Cn1cnnc1[C@H](CO)N=c1nc(C2CCCCC2)[n-]s1 ZINC000585132732 354811163 /nfs/dbraw/zinc/81/11/63/354811163.db2.gz QMOKAWVDEXKDRH-JTQLQIEISA-N -1 0 308.411 1.282 50 0 DDAARM Cc1c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000005378100 181236335 /nfs/dbraw/zinc/23/63/35/181236335.db2.gz MSUJKBMHPCMFRK-NEPJUHHUSA-N -1 0 315.329 1.144 50 0 DDAARM C[C@@H](CC(=O)N1CCO[C@@H](C(=O)[O-])C1)Cc1cccc(F)c1 ZINC000237334514 202234486 /nfs/dbraw/zinc/23/44/86/202234486.db2.gz GVRNGDLJPIBORM-BXUZGUMPSA-N -1 0 309.337 1.706 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000271906537 304084431 /nfs/dbraw/zinc/08/44/31/304084431.db2.gz NVKQWCASRGCWCL-LBPRGKRZSA-N -1 0 321.329 1.164 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000237660921 202321834 /nfs/dbraw/zinc/32/18/34/202321834.db2.gz OBVBKGBAFVSDNI-MRXNPFEDSA-N -1 0 317.320 1.948 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1-c1ccccc1 ZINC000237699837 202331369 /nfs/dbraw/zinc/33/13/69/202331369.db2.gz XCHNJYFTXSNNMR-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000237898414 202384249 /nfs/dbraw/zinc/38/42/49/202384249.db2.gz RWWNPZMFMALRMU-OAHLLOKOSA-N -1 0 303.358 1.930 50 0 DDAARM O=C([O-])Cn1nc(C2CC2)c2c1[nH]c(=O)cc2C(F)(F)F ZINC000012396437 304091392 /nfs/dbraw/zinc/09/13/92/304091392.db2.gz YTTVEWLUWZFDPQ-UHFFFAOYSA-N -1 0 301.224 1.705 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC000238052472 202429761 /nfs/dbraw/zinc/42/97/61/202429761.db2.gz KAOUXMPHCIRADZ-LBPRGKRZSA-N -1 0 320.320 1.552 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1nncn1-c1ccccc1 ZINC000238067130 202433534 /nfs/dbraw/zinc/43/35/34/202433534.db2.gz LSQHJHMKHTWEAB-CYBMUJFWSA-N -1 0 314.345 1.276 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CN1C(=O)CCc2ccccc21 ZINC000136524215 304102287 /nfs/dbraw/zinc/10/22/87/304102287.db2.gz BXNCUIPUWRSPEV-AWEZNQCLSA-N -1 0 316.357 1.432 50 0 DDAARM COC(=O)[C@@H]1C([O-])=C(C(=O)CC[C@H]2CCCO2)C(=O)CC1(C)C ZINC000247865039 291302289 /nfs/dbraw/zinc/30/22/89/291302289.db2.gz XGEULGNSRGWTSS-HONMWMINSA-N -1 0 324.373 1.488 50 0 DDAARM Cc1nc2c3ccccc3oc2c(N[C@@H](C(=O)[O-])[C@@H](C)O)n1 ZINC000006861475 181398606 /nfs/dbraw/zinc/39/86/06/181398606.db2.gz JLARVDCFFCLLEY-RDDDGLTNSA-N -1 0 301.302 1.930 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(c2nccc(OC)n2)C1 ZINC000091649946 193085360 /nfs/dbraw/zinc/08/53/60/193085360.db2.gz DFYFXBKMNVNWPX-OAHLLOKOSA-N -1 0 309.366 1.583 50 0 DDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cnc(C)[nH]c2=O)C1 ZINC000092039013 193145665 /nfs/dbraw/zinc/14/56/65/193145665.db2.gz SRPSGBQOFUALHW-INIZCTEOSA-N -1 0 321.377 1.114 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2SCCc3sccc32)CCO1 ZINC000299748535 304131943 /nfs/dbraw/zinc/13/19/43/304131943.db2.gz HJVMOVSISSAOSS-ONGXEEELSA-N -1 0 313.400 1.391 50 0 DDAARM COc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c(OC)c1 ZINC000253430342 202887079 /nfs/dbraw/zinc/88/70/79/202887079.db2.gz KPWYYPVLURGQTB-UHFFFAOYSA-N -1 0 323.345 1.410 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000262587591 203341584 /nfs/dbraw/zinc/34/15/84/203341584.db2.gz HBJXGAORNGSRLY-LSDHHAIUSA-N -1 0 303.358 1.915 50 0 DDAARM CC[C@@](C)(NC(=O)c1cc(Br)cn1C)C(=O)[O-] ZINC000094219497 193350260 /nfs/dbraw/zinc/35/02/60/193350260.db2.gz HQCUKOACEQNCRZ-LLVKDONJSA-N -1 0 303.156 1.771 50 0 DDAARM O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000012390402 181756149 /nfs/dbraw/zinc/75/61/49/181756149.db2.gz IBSBOUOBTRSCLF-CYBMUJFWSA-N -1 0 316.357 1.363 50 0 DDAARM CN(Cc1ccco1)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013198295 181837755 /nfs/dbraw/zinc/83/77/55/181837755.db2.gz CUOLBABMNKGLAX-UHFFFAOYSA-N -1 0 311.315 1.504 50 0 DDAARM COc1c2c(cc([C@@H]3ON=C(C(=O)[O-])[C@@H]3C)c1OC)OCO2 ZINC000035327389 182771651 /nfs/dbraw/zinc/77/16/51/182771651.db2.gz ITGBMRBTMORXHR-QUBYGPBYSA-N -1 0 309.274 1.581 50 0 DDAARM CC(C)Oc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675203 193834428 /nfs/dbraw/zinc/83/44/28/193834428.db2.gz RVRUEGLXMDBXGL-LLVKDONJSA-N -1 0 301.306 1.444 50 0 DDAARM CS(=O)(=O)[N-]C(=O)CCCc1nc(-c2ccccc2)no1 ZINC000040543880 183099163 /nfs/dbraw/zinc/09/91/63/183099163.db2.gz OUMNRRXHIZMSJW-UHFFFAOYSA-N -1 0 309.347 1.135 50 0 DDAARM Nc1ccc(S[C@H]2[C@H]3OC(=O)[C@H]4[C@H]3C[C@H]2[C@H]4C(=O)[O-])cc1 ZINC000104188898 193990391 /nfs/dbraw/zinc/99/03/91/193990391.db2.gz HHIQPLWSTYAEPV-NMIFLECGSA-N -1 0 305.355 1.622 50 0 DDAARM C[C@H]1Sc2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2NC1=O ZINC000268944219 207110861 /nfs/dbraw/zinc/11/08/61/207110861.db2.gz LOPPMTOYQKSJAQ-MRVPVSSYSA-N -1 0 320.370 1.809 50 0 DDAARM COc1ccccc1NC(=O)[C@@H](Cc1ccncc1)c1nnn[n-]1 ZINC000057523483 184040751 /nfs/dbraw/zinc/04/07/51/184040751.db2.gz APZWDYQUKXUUHO-LBPRGKRZSA-N -1 0 324.344 1.568 50 0 DDAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(F)cc(F)cc2F)C1 ZINC000062119719 184206784 /nfs/dbraw/zinc/20/67/84/184206784.db2.gz LJLHDJNRXQJAPB-ZCFIWIBFSA-N -1 0 309.265 1.199 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000269082807 207228878 /nfs/dbraw/zinc/22/88/78/207228878.db2.gz IHVVUCXSHDMRAX-RISCZKNCSA-N -1 0 324.352 1.131 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cncc(Br)c2)C1 ZINC000062913097 184259308 /nfs/dbraw/zinc/25/93/08/184259308.db2.gz GQNAFRRPYREZKC-LBPRGKRZSA-N -1 0 313.151 1.781 50 0 DDAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062913582 184259381 /nfs/dbraw/zinc/25/93/81/184259381.db2.gz ZQSXVAQOMJBAKD-NNTXTVRGSA-N -1 0 311.769 1.718 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Br)o2)C1 ZINC000062912566 184259399 /nfs/dbraw/zinc/25/93/99/184259399.db2.gz YCQFZOKJBWNPNL-LLVKDONJSA-N -1 0 302.124 1.979 50 0 DDAARM CN1CCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2C1=O ZINC000065254659 184318843 /nfs/dbraw/zinc/31/88/43/184318843.db2.gz MSGHBIVZUBYPOS-UHFFFAOYSA-N -1 0 323.349 1.514 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2CN2CCCC2=O)C1 ZINC000065403304 184337026 /nfs/dbraw/zinc/33/70/26/184337026.db2.gz UUYUPAXYNNFRTB-AWEZNQCLSA-N -1 0 316.357 1.242 50 0 DDAARM O=C([O-])c1cn(CC(=O)NCC2C3CC4CC(C3)CC2C4)nn1 ZINC000263354140 304274679 /nfs/dbraw/zinc/27/46/79/304274679.db2.gz QWWGMZGTLMZRBM-UHFFFAOYSA-N -1 0 318.377 1.165 50 0 DDAARM Cc1ccccc1N1C(=O)[C@H]2C(C(=O)c3ccco3)=NOC2=C1[O-] ZINC000100355228 257272780 /nfs/dbraw/zinc/27/27/80/257272780.db2.gz DKYXYHSXOOWNCQ-WFASDCNBSA-N -1 0 324.292 1.715 50 0 DDAARM CC(C)(C)n1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC000236761617 257239506 /nfs/dbraw/zinc/23/95/06/257239506.db2.gz QMAGEDDGEJUMLU-UHFFFAOYSA-N -1 0 323.393 1.734 50 0 DDAARM Cc1ncc(/C=C/C(=O)NCc2nc(C(=O)[O-])cs2)s1 ZINC000124377375 195635433 /nfs/dbraw/zinc/63/54/33/195635433.db2.gz AZNPGQJIJJJCBO-NSCUHMNNSA-N -1 0 309.372 1.936 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000492153275 533244609 /nfs/dbraw/zinc/24/46/09/533244609.db2.gz GCRYGZHDPIJEEQ-SDQPKGBYSA-N -1 0 321.329 1.029 50 0 DDAARM COc1ccc2c(c1)OC[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)C2 ZINC000299744552 533284903 /nfs/dbraw/zinc/28/49/03/533284903.db2.gz SVBXJNQLIVGBKK-VXGBXAGGSA-N -1 0 305.330 1.179 50 0 DDAARM CCCCN1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000001796241 406677639 /nfs/dbraw/zinc/67/76/39/406677639.db2.gz WMQSTCKFNZABQE-JTQLQIEISA-N -1 0 308.359 1.800 50 0 DDAARM CSCC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002556537 406689202 /nfs/dbraw/zinc/68/92/02/406689202.db2.gz AHLVVUWWZRNUQV-IUCAKERBSA-N -1 0 320.411 1.222 50 0 DDAARM COc1ccc(-c2cc(C(=O)[O-])n3ncnc3n2)cc1OC ZINC000008342542 406785246 /nfs/dbraw/zinc/78/52/46/406785246.db2.gz DKHXIHKWTIHDEZ-UHFFFAOYSA-N -1 0 300.274 1.507 50 0 DDAARM Nn1c(SCC(=O)[O-])nnc1-c1cc(-c2ccccc2)n[nH]1 ZINC000009109949 406801679 /nfs/dbraw/zinc/80/16/79/406801679.db2.gz ZDLBQAXTWFTHSE-UHFFFAOYSA-N -1 0 316.346 1.226 50 0 DDAARM Cc1cc(C)nc(-n2[n-]c3[nH]c4c(c(=O)c3c2=O)CCCC4)n1 ZINC000009225463 406805961 /nfs/dbraw/zinc/80/59/61/406805961.db2.gz RHYTYDKQQYKTKG-UHFFFAOYSA-N -1 0 311.345 1.293 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1 ZINC000013536127 406862421 /nfs/dbraw/zinc/86/24/21/406862421.db2.gz PZYQDWWXWZIUSI-HIFRSBDPSA-N -1 0 307.346 1.706 50 0 DDAARM Cc1nnsc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000019993656 406885973 /nfs/dbraw/zinc/88/59/73/406885973.db2.gz OFWPZDMPQFNVOO-LLVKDONJSA-N -1 0 303.343 1.498 50 0 DDAARM CN(Cc1c[nH]nc1C(=O)[O-])Cc1[nH]nc2c1CCCCC2 ZINC000071681347 406841773 /nfs/dbraw/zinc/84/17/73/406841773.db2.gz JPTQUGVHMFMUNM-UHFFFAOYSA-N -1 0 303.366 1.732 50 0 DDAARM COc1cc(-c2noc(CCC(=O)[O-])n2)c(OC)c2c1OCO2 ZINC000034929184 406965598 /nfs/dbraw/zinc/96/55/98/406965598.db2.gz QJJONIZUNHLBGU-UHFFFAOYSA-N -1 0 322.273 1.500 50 0 DDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC[C@@H]1CCCO1 ZINC000032315697 406946788 /nfs/dbraw/zinc/94/67/88/406946788.db2.gz FLZQAHOFNBANKE-JTQLQIEISA-N -1 0 321.402 1.902 50 0 DDAARM CS(=O)(=O)[N-]c1nnc(NC(=O)C[C@H]2C=CCC2)s1 ZINC000047293468 407071658 /nfs/dbraw/zinc/07/16/58/407071658.db2.gz QBPWILXKTDZDSY-ZETCQYMHSA-N -1 0 302.381 1.204 50 0 DDAARM O=C([O-])c1cnc2c(c1)n(CCO)c(=O)n2C1CCCCC1 ZINC000055385673 407202014 /nfs/dbraw/zinc/20/20/14/407202014.db2.gz ZHAUURMLUXATIN-UHFFFAOYSA-N -1 0 305.334 1.394 50 0 DDAARM CC(C)C[C@@H](NC(=O)CCCNC(=O)c1ccco1)C(=O)[O-] ZINC000095377462 407211058 /nfs/dbraw/zinc/21/10/58/407211058.db2.gz AMXGZMHBCYZABN-LLVKDONJSA-N -1 0 310.350 1.405 50 0 DDAARM CN(C)S(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095380398 407212401 /nfs/dbraw/zinc/21/24/01/407212401.db2.gz YRZGNFMYCUXGHE-CYBMUJFWSA-N -1 0 312.391 1.371 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N(C)C[C@@H](C)C(=O)[O-])C2 ZINC000095970482 407218522 /nfs/dbraw/zinc/21/85/22/407218522.db2.gz URGQRUQGXJMFJA-PWSUYJOCSA-N -1 0 307.346 1.425 50 0 DDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000095991920 407222162 /nfs/dbraw/zinc/22/21/62/407222162.db2.gz HIIRNFZLSNIQAO-UWVGGRQHSA-N -1 0 307.394 1.852 50 0 DDAARM Cc1cc(Nc2ccc(Cl)c(C(=O)[O-])c2)n2ncnc2n1 ZINC000102491683 407323669 /nfs/dbraw/zinc/32/36/69/407323669.db2.gz BPXMFYXUVUFNMZ-WOJGMQOQSA-N -1 0 303.709 1.950 50 0 DDAARM Cc1nc2[n-]c(NC(=O)c3cccs3)nn2c(=O)c1Cl ZINC000100650753 407308232 /nfs/dbraw/zinc/30/82/32/407308232.db2.gz RSYFRCXJTGDZTE-UHFFFAOYSA-N -1 0 309.738 1.693 50 0 DDAARM COC(=O)[C@@H]1C([O-])=C(C(=O)CC[C@@H]2CCCO2)C(=O)CC1(C)C ZINC000100768359 407308311 /nfs/dbraw/zinc/30/83/11/407308311.db2.gz XGEULGNSRGWTSS-BPNCWPANSA-N -1 0 324.373 1.488 50 0 DDAARM CCC(Nc1cc(OC)ccc1OC)=C1C(=O)[N-]C(=O)NC1=O ZINC000101086953 407308704 /nfs/dbraw/zinc/30/87/04/407308704.db2.gz LOQRVCQTFAAPSV-UHFFFAOYSA-N -1 0 319.317 1.146 50 0 DDAARM CCCc1ccc(N2C[C@@H](C(=O)Nc3nn[nH]n3)CC2=O)cc1 ZINC000253416707 407441620 /nfs/dbraw/zinc/44/16/20/407441620.db2.gz BYAHCAJPCXRQHQ-NSHDSACASA-N -1 0 314.349 1.144 50 0 DDAARM CO[C@H](CNC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000227278761 407628973 /nfs/dbraw/zinc/62/89/73/407628973.db2.gz HXJRGNQJYZHOBJ-SNVBAGLBSA-N -1 0 316.151 1.207 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1cc(C2CC2)nn1 ZINC000237975337 407861217 /nfs/dbraw/zinc/86/12/17/407861217.db2.gz BSPJALNMPJVZOH-UBHSHLNASA-N -1 0 318.377 1.400 50 0 DDAARM O=C([O-])[C@@H](NC(=O)Cc1cn2ccccc2n1)c1ccccc1 ZINC000237999429 407865732 /nfs/dbraw/zinc/86/57/32/407865732.db2.gz UDVRAIYHURWVBQ-INIZCTEOSA-N -1 0 309.325 1.819 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc(Nc2cnccn2)c1)C1CC1 ZINC000238090253 407890958 /nfs/dbraw/zinc/89/09/58/407890958.db2.gz CABKZTFARYORAE-UHFFFAOYSA-N -1 0 312.329 1.909 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000238198160 407899641 /nfs/dbraw/zinc/89/96/41/407899641.db2.gz PIXWCKSTGVZYTQ-GFCCVEGCSA-N -1 0 315.329 1.392 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cncnc2C)(C(=O)[O-])C1(C)C ZINC000262796976 407935822 /nfs/dbraw/zinc/93/58/22/407935822.db2.gz LWPRGBYAIHBUEA-XHDPSFHLSA-N -1 0 307.350 1.173 50 0 DDAARM COCc1nc(C)c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])s1 ZINC000263036986 408007952 /nfs/dbraw/zinc/00/79/52/408007952.db2.gz RFPONUHSCDEVDS-JBLDHEPKSA-N -1 0 324.402 1.923 50 0 DDAARM C[C@@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000136163867 408083914 /nfs/dbraw/zinc/08/39/14/408083914.db2.gz SJURLJJFSCAFMH-AAEUAGOBSA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000191658593 408466297 /nfs/dbraw/zinc/46/62/97/408466297.db2.gz XCECXMQUNDNANL-NXEZZACHSA-N -1 0 303.343 1.542 50 0 DDAARM O=C([N-]S(=O)(=O)CC1CCC1)c1ccnc(C2CCCC2)n1 ZINC000163306907 408773699 /nfs/dbraw/zinc/77/36/99/408773699.db2.gz UDRGRPJOEPVGBX-UHFFFAOYSA-N -1 0 323.418 1.994 50 0 DDAARM CC(C)Oc1cccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)n1 ZINC000262837130 163884245 /nfs/dbraw/zinc/88/42/45/163884245.db2.gz RSJSUDIFSXKQGY-RISCZKNCSA-N -1 0 322.361 1.478 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)ccc2OC)C1 ZINC000262976909 163899588 /nfs/dbraw/zinc/89/95/88/163899588.db2.gz KJNHAYUPUIYOQZ-OAHLLOKOSA-N -1 0 311.309 1.398 50 0 DDAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc(N(C)C)c1 ZINC000339026098 410055537 /nfs/dbraw/zinc/05/55/37/410055537.db2.gz LAFBAODKGDGHBO-NSHDSACASA-N -1 0 314.407 1.626 50 0 DDAARM O=C([O-])[C@H]1CCN1S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000643125156 423044280 /nfs/dbraw/zinc/04/42/80/423044280.db2.gz OYBOKTBQTWBUSI-RXMQYKEDSA-N -1 0 315.294 1.615 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000647782675 423046916 /nfs/dbraw/zinc/04/69/16/423046916.db2.gz XLIVLCXIRWDJOV-VHSXEESVSA-N -1 0 320.736 1.758 50 0 DDAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(C)s2)c1 ZINC000065607471 418487156 /nfs/dbraw/zinc/48/71/56/418487156.db2.gz WJNVTOLHTIUSLZ-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DDAARM Cc1cc(C(=O)N2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)no1 ZINC000426485771 419486869 /nfs/dbraw/zinc/48/68/69/419486869.db2.gz OOTIUWCHZLLOQB-NSHDSACASA-N -1 0 318.333 1.284 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)c2cnc(C3CC3)nc2)n1 ZINC000426597249 419514711 /nfs/dbraw/zinc/51/47/11/419514711.db2.gz PALUFIYSMHBAHO-UHFFFAOYSA-N -1 0 318.358 1.481 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccn(-c2c(F)cccc2F)n1 ZINC000299741802 229377464 /nfs/dbraw/zinc/37/74/64/229377464.db2.gz GEPMVIFXYBPTHN-LBPRGKRZSA-N -1 0 321.283 1.840 50 0 DDAARM Cc1ccccc1OCCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299745245 229386329 /nfs/dbraw/zinc/38/63/29/229386329.db2.gz XBROFOJKBFHXIA-CQSZACIVSA-N -1 0 307.346 1.466 50 0 DDAARM C[C@H](CN(C)C(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299747797 229390926 /nfs/dbraw/zinc/39/09/26/229390926.db2.gz FCJQLEKBDJUIIP-BXKDBHETSA-N -1 0 322.386 1.669 50 0 DDAARM Cc1cnn(CCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000299750949 229393642 /nfs/dbraw/zinc/39/36/42/229393642.db2.gz OVUHGQGRDPVNTM-MJBXVCDLSA-N -1 0 305.378 1.826 50 0 DDAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc2c(c1)OCO2 ZINC000299753593 229397652 /nfs/dbraw/zinc/39/76/52/229397652.db2.gz YSOWRSONPSJCQE-VIFPVBQESA-N -1 0 314.297 2.000 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000547328511 421323259 /nfs/dbraw/zinc/32/32/59/421323259.db2.gz YODIQGZJNVXHNY-GFCCVEGCSA-N -1 0 314.341 1.806 50 0 DDAARM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1cnn(C)c1 ZINC000630185494 421944610 /nfs/dbraw/zinc/94/46/10/421944610.db2.gz OICDDHUHDFHTAL-LBPRGKRZSA-N -1 0 301.346 1.465 50 0 DDAARM COc1cccc(C[C@H](NC(=O)[C@@H]2C[C@@H](C)O[C@H]2C)C(=O)[O-])c1 ZINC000630243254 421985335 /nfs/dbraw/zinc/98/53/35/421985335.db2.gz IKXIRNOCNRYQLC-BVIHXZOGSA-N -1 0 321.373 1.621 50 0 DDAARM NC(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000649459185 423917422 /nfs/dbraw/zinc/91/74/22/423917422.db2.gz MRQIEJRGLHDGQV-LBPRGKRZSA-N -1 0 305.334 1.048 50 0 DDAARM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000649530749 424003763 /nfs/dbraw/zinc/00/37/63/424003763.db2.gz GXUOHGVKRLNSAY-MCIONIFRSA-N -1 0 322.336 1.742 50 0 DDAARM CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000101711089 281399099 /nfs/dbraw/zinc/39/90/99/281399099.db2.gz XAKITLZCCJWOOY-JTQLQIEISA-N -1 0 301.298 1.578 50 0 DDAARM CN(C)C(=O)CC[C@@H]1CCCN(c2cccc(C(=O)[O-])n2)C1 ZINC000096133434 288952500 /nfs/dbraw/zinc/95/25/00/288952500.db2.gz XSCHXCCGOIRJOO-LBPRGKRZSA-N -1 0 305.378 1.865 50 0 DDAARM C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)N1CCCCCC1 ZINC000164864173 298214152 /nfs/dbraw/zinc/21/41/52/298214152.db2.gz TWDZCQZEHKHSTC-WCQYABFASA-N -1 0 304.412 1.340 50 0 DDAARM Cc1cc(O)c([C@H](CC(=O)[O-])c2ccnn2C(C)C)c(=O)[nH]1 ZINC000095479264 301369804 /nfs/dbraw/zinc/36/98/04/301369804.db2.gz MDOUIPMLZXCGKN-SNVBAGLBSA-N -1 0 305.334 1.773 50 0 DDAARM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@]1(C)C(=O)[O-] ZINC000530207827 303183710 /nfs/dbraw/zinc/18/37/10/303183710.db2.gz RLAAEQVGBWUVBW-YVEFUNNKSA-N -1 0 320.389 1.812 50 0 DDAARM O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000091128263 484012124 /nfs/dbraw/zinc/01/21/24/484012124.db2.gz WNNYIXRPXYUMDJ-LLVKDONJSA-N -1 0 305.359 1.595 50 0 DDAARM CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(-n2cncn2)nc1 ZINC000663107318 484671995 /nfs/dbraw/zinc/67/19/95/484671995.db2.gz DXKJQYIULFTNSJ-LLVKDONJSA-N -1 0 303.322 1.348 50 0 DDAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(C)[C@H](C)C(=O)[O-])cc1 ZINC000299750179 533909711 /nfs/dbraw/zinc/90/97/11/533909711.db2.gz MSBNCWVQMFVHGI-TZMCWYRMSA-N -1 0 318.373 1.418 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccccc2OCC2CC2)CCO1 ZINC000299748758 534538744 /nfs/dbraw/zinc/53/87/44/534538744.db2.gz IBWADWMLIBNDIL-CQSZACIVSA-N -1 0 305.330 1.401 50 0 DDAARM Cc1cccc([C@@H](CC(=O)N2CC[C@@H](C(=O)[O-])C2)NC(N)=O)c1 ZINC000299743344 534758314 /nfs/dbraw/zinc/75/83/14/534758314.db2.gz NHLVGAPOEUNQTM-CHWSQXEVSA-N -1 0 319.361 1.028 50 0 DDAARM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000157004390 524215192 /nfs/dbraw/zinc/21/51/92/524215192.db2.gz QPWHYIYYNFDDCK-DMZKTXOQSA-N -1 0 322.430 1.135 50 0 DDAARM C[C@@](O)(CNC(=O)c1csc(Br)c1)C(=O)[O-] ZINC000085231513 696562477 /nfs/dbraw/zinc/56/24/77/696562477.db2.gz HSKCHDNPDUGTMY-SECBINFHSA-N -1 0 308.153 1.076 50 0 DDAARM Cc1c(/C=C/C(=O)[N-]S(=O)(=O)[C@@H](C)CC(C)C)cnn1C ZINC000095975573 696603527 /nfs/dbraw/zinc/60/35/27/696603527.db2.gz HFFJQCBLWWNJAW-MLRMMBSGSA-N -1 0 313.423 1.622 50 0 DDAARM Cc1cccnc1CCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263314386 698499094 /nfs/dbraw/zinc/49/90/94/698499094.db2.gz ILXFTLIHLDMAAI-DGCLKSJQSA-N -1 0 305.378 1.685 50 0 DDAARM O=S(=O)([N-]c1ccnc2ncnn21)c1cnc(C2CC2)s1 ZINC000888101539 709214031 /nfs/dbraw/zinc/21/40/31/709214031.db2.gz HXMHBMOUWOGABC-UHFFFAOYSA-N -1 0 322.375 1.259 50 0 DDAARM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)C(F)F)C(F)(F)F ZINC000585087414 771936451 /nfs/dbraw/zinc/93/64/51/771936451.db2.gz VZPUTOHIWBIYLW-MRVPVSSYSA-N -1 0 322.233 1.888 50 0 DDAARM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cccc(CCO)c1 ZINC000585119157 771951920 /nfs/dbraw/zinc/95/19/20/771951920.db2.gz UJCZFCQWUOFYSV-UHFFFAOYSA-N -1 0 315.782 1.409 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2ccc(F)nc2F)c1 ZINC000585129386 771961306 /nfs/dbraw/zinc/96/13/06/771961306.db2.gz IBQYSJZKGPEBFY-UHFFFAOYSA-N -1 0 302.306 1.938 50 0 DDAARM C[C@H](CN(C)c1nc2c(nc([O-])n(C)c2=O)[nH]1)c1nccs1 ZINC000952883687 775644156 /nfs/dbraw/zinc/64/41/56/775644156.db2.gz WTCFBUVFBPBGEO-SSDOTTSWSA-N -1 0 320.378 1.059 50 0 DDAARM CC(C)Cc1cc(C(=O)N[C@@H](Cc2ccco2)C(=O)[O-])on1 ZINC000095523849 185377841 /nfs/dbraw/zinc/37/78/41/185377841.db2.gz DYYNLXKYVCMYOK-LBPRGKRZSA-N -1 0 306.318 1.892 50 0 DDAARM CCN(CC)C(=O)[C@H](c1ccccc1)S(=O)(=O)c1ncc[n-]1 ZINC000078818967 185114972 /nfs/dbraw/zinc/11/49/72/185114972.db2.gz SKHXRLAVRUYFAN-ZDUSSCGKSA-N -1 0 321.402 1.793 50 0 DDAARM O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)CC1CCC1 ZINC000164836098 197664717 /nfs/dbraw/zinc/66/47/17/197664717.db2.gz MDTZETOFYGFPIH-HNNXBMFYSA-N -1 0 323.414 1.937 50 0 DDAARM Cc1cc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)[nH]n1 ZINC000262868888 539275919 /nfs/dbraw/zinc/27/59/19/539275919.db2.gz AVNLQKWKAHCJBG-JTQLQIEISA-N -1 0 303.318 1.673 50 0 DDAARM O=C(Cn1cccc(C(F)(F)F)c1=O)[N-]O[C@@H]1CCCCO1 ZINC000095393493 185352272 /nfs/dbraw/zinc/35/22/72/185352272.db2.gz KKLYKPZAFPSBHK-LLVKDONJSA-N -1 0 320.267 1.442 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2c[nH]cn2)cnc1N1CCCCC1 ZINC000095460003 185370677 /nfs/dbraw/zinc/37/06/77/185370677.db2.gz YRLRIHUQIGVLBH-UHFFFAOYSA-N -1 0 321.406 1.904 50 0 DDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000299748362 529872667 /nfs/dbraw/zinc/87/26/67/529872667.db2.gz HCPBBHAZGHNMJG-LBPRGKRZSA-N -1 0 324.764 1.626 50 0 DDAARM CC(=O)N1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000236576153 201927516 /nfs/dbraw/zinc/92/75/16/201927516.db2.gz UZNQGRJDQWNHOB-UHFFFAOYSA-N -1 0 304.346 1.008 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000069699639 190804682 /nfs/dbraw/zinc/80/46/82/190804682.db2.gz WTQMXMOTGPIPAN-GFCCVEGCSA-N -1 0 317.794 1.969 50 0 DDAARM CC(C)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1cc(C2CC2)nn1 ZINC000685942321 539566438 /nfs/dbraw/zinc/56/64/38/539566438.db2.gz MVPQCGXGIWPKLI-SCRDCRAPSA-N -1 0 320.393 1.722 50 0 DDAARM CNc1nc(C)cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000263394146 290844525 /nfs/dbraw/zinc/84/45/25/290844525.db2.gz FDLUGZMKUJUUAC-UHTWSYAYSA-N -1 0 318.377 1.685 50 0 DDAARM CC(=O)N(CCC(=O)N1CCC[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000236717623 201978360 /nfs/dbraw/zinc/97/83/60/201978360.db2.gz TWGBWVUFRNYHTK-OAHLLOKOSA-N -1 0 318.373 1.501 50 0 DDAARM O=C(Nc1cnccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621318 304012439 /nfs/dbraw/zinc/01/24/39/304012439.db2.gz ZFWHAMXMNVEUBX-UHFFFAOYSA-N -1 0 308.297 1.306 50 0 DDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1c(F)cccc1Cl ZINC000001926526 180902036 /nfs/dbraw/zinc/90/20/36/180902036.db2.gz JLLRUAZHNVGNRA-NSHDSACASA-N -1 0 300.717 1.254 50 0 DDAARM NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1[O-] ZINC000005769629 181282089 /nfs/dbraw/zinc/28/20/89/181282089.db2.gz ZJEPNINFDREESI-UHFFFAOYSA-N -1 0 323.308 1.829 50 0 DDAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cn2nnc3ccccc32)C1 ZINC000238011430 304063482 /nfs/dbraw/zinc/06/34/82/304063482.db2.gz FHDVRPDXHIQYFU-GFCCVEGCSA-N -1 0 316.361 1.535 50 0 DDAARM C[C@@H](Cc1ccccc1F)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237360708 202243728 /nfs/dbraw/zinc/24/37/28/202243728.db2.gz WRNOWCNKQRIEQW-WCQYABFASA-N -1 0 309.337 1.706 50 0 DDAARM Cc1csc(N2CCC(C(=O)N3CCC[C@H]3C(=O)[O-])CC2)n1 ZINC000237642172 202316151 /nfs/dbraw/zinc/31/61/51/202316151.db2.gz NPRJPQZEJUJBDC-LBPRGKRZSA-N -1 0 323.418 1.744 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cs2)cn1 ZINC000237715553 202336606 /nfs/dbraw/zinc/33/66/06/202336606.db2.gz GAPRRUVYBNUWQC-SECBINFHSA-N -1 0 320.374 1.480 50 0 DDAARM CCC(NCCCO)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000006186922 181318624 /nfs/dbraw/zinc/31/86/24/181318624.db2.gz UNLHCMHAHCFVLD-OUKQBFOZSA-N -1 0 323.393 1.034 50 0 DDAARM O=C([O-])CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000006624118 181362217 /nfs/dbraw/zinc/36/22/17/181362217.db2.gz TUVGVNUCGYRIBL-ZDUSSCGKSA-N -1 0 315.329 1.496 50 0 DDAARM COc1ccc(OC)c2[nH]c(C(=O)NCCCC(=O)[O-])cc21 ZINC000006759919 181384513 /nfs/dbraw/zinc/38/45/13/181384513.db2.gz ZEAWGONZMIVBQB-UHFFFAOYSA-N -1 0 306.318 1.780 50 0 DDAARM Cc1cc(C)c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c(=O)[nH]1 ZINC000091745909 193100645 /nfs/dbraw/zinc/10/06/45/193100645.db2.gz QWOAYLFTGSHWMA-NWDGAFQWSA-N -1 0 304.346 1.175 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2nncn2c1 ZINC000262249333 304144322 /nfs/dbraw/zinc/14/43/22/304144322.db2.gz CYUUSBQNCUVCGO-UHTWSYAYSA-N -1 0 314.345 1.587 50 0 DDAARM Cc1cc(C)n(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)n1 ZINC000261826802 203128468 /nfs/dbraw/zinc/12/84/68/203128468.db2.gz BDMCBJWPHQBMMN-LBPRGKRZSA-N -1 0 319.283 1.366 50 0 DDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262195564 203226548 /nfs/dbraw/zinc/22/65/48/203226548.db2.gz ZIVMAKIEFJGQLQ-IJLUTSLNSA-N -1 0 309.387 1.862 50 0 DDAARM COc1ccc(O)c(C(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000262365567 203274380 /nfs/dbraw/zinc/27/43/80/203274380.db2.gz WVXAKIBKUBKUET-UHFFFAOYSA-N -1 0 309.318 1.012 50 0 DDAARM C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2CCCOC2)cc1)C(=O)[O-] ZINC000263031152 203429827 /nfs/dbraw/zinc/42/98/27/203429827.db2.gz VADKCFCYSJQTFA-JQWIXIFHSA-N -1 0 320.345 1.255 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2cccs2)c(OC)n1 ZINC000096098728 193536767 /nfs/dbraw/zinc/53/67/67/193536767.db2.gz YFPHQWVFQKMTRT-UHFFFAOYSA-N -1 0 301.349 1.356 50 0 DDAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000018707866 182102453 /nfs/dbraw/zinc/10/24/53/182102453.db2.gz MCWOJKGOGVPROQ-CQSZACIVSA-N -1 0 319.338 1.728 50 0 DDAARM COCCCN1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019881879 182159766 /nfs/dbraw/zinc/15/97/66/182159766.db2.gz GFISKBGEPUTETQ-LBPRGKRZSA-N -1 0 323.370 1.641 50 0 DDAARM O=C([O-])[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 ZINC000098211118 304184691 /nfs/dbraw/zinc/18/46/91/304184691.db2.gz SEGWDKUGXPSWJM-NSHDSACASA-N -1 0 300.362 1.909 50 0 DDAARM O=C([O-])CCc1nnc(C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000034927215 182745147 /nfs/dbraw/zinc/74/51/47/182745147.db2.gz CYHJYGIKPBETMR-UHFFFAOYSA-N -1 0 321.314 1.536 50 0 DDAARM COc1c2c(cc(-c3noc(CCC(=O)[O-])n3)c1OC)OCO2 ZINC000034929377 182745374 /nfs/dbraw/zinc/74/53/74/182745374.db2.gz LCWZONJAFPAILG-UHFFFAOYSA-N -1 0 322.273 1.500 50 0 DDAARM C[C@]1(C(=O)NCCC(=O)[O-])CS[C@H]2c3ccccc3C(=O)N21 ZINC000036576441 182827224 /nfs/dbraw/zinc/82/72/24/182827224.db2.gz LHWYLFQJRUVDCM-DZGCQCFKSA-N -1 0 320.370 1.237 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000088375278 304199604 /nfs/dbraw/zinc/19/96/04/304199604.db2.gz IOONVZPCAXCALZ-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c(C)c1C ZINC000038534552 183001699 /nfs/dbraw/zinc/00/16/99/183001699.db2.gz AVYANKXIERHYKJ-CYBMUJFWSA-N -1 0 306.362 1.087 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CC12CCOCC2 ZINC000238035487 304206976 /nfs/dbraw/zinc/20/69/76/304206976.db2.gz SUXUZMKOVVAOAJ-HUUCEWRRSA-N -1 0 315.369 1.841 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1 ZINC000041670470 183214569 /nfs/dbraw/zinc/21/45/69/183214569.db2.gz BBDYUNJCBOSXPD-UHFFFAOYSA-N -1 0 308.240 1.463 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1ccc2c(c1)OCCO2 ZINC000095508349 304208042 /nfs/dbraw/zinc/20/80/42/304208042.db2.gz NOJSWAUUJDKBSQ-CYBMUJFWSA-N -1 0 315.329 1.192 50 0 DDAARM C[C@@H]1CCc2c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)csc2C1 ZINC000059226897 184135897 /nfs/dbraw/zinc/13/58/97/184135897.db2.gz DYQXSKDMKSZKQB-BXKDBHETSA-N -1 0 309.387 1.799 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000101184941 304270625 /nfs/dbraw/zinc/27/06/25/304270625.db2.gz VYJMCHMHVOQJJV-PQTVICFOSA-N -1 0 301.298 1.521 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1nc2ccccc2o1 ZINC000316735166 257236995 /nfs/dbraw/zinc/23/69/95/257236995.db2.gz JVQWHOZDFWXGHE-QRGHLMKCSA-N -1 0 302.286 1.153 50 0 DDAARM Cc1cn(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc12 ZINC000237784517 257237547 /nfs/dbraw/zinc/23/75/47/257237547.db2.gz QQWSWVGQBIYQTN-CQSZACIVSA-N -1 0 302.330 1.262 50 0 DDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000124176952 195612269 /nfs/dbraw/zinc/61/22/69/195612269.db2.gz GRAJYMGYVFHHGN-NSHDSACASA-N -1 0 322.317 1.600 50 0 DDAARM O=C([O-])c1cn([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)nn1 ZINC000568398392 304291524 /nfs/dbraw/zinc/29/15/24/304291524.db2.gz XAAROMJOGXAYNQ-NEPJUHHUSA-N -1 0 304.350 1.496 50 0 DDAARM CCOC(=O)c1c[nH]nc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000071283301 285971080 /nfs/dbraw/zinc/97/10/80/285971080.db2.gz QEUUGFSLFBOPAR-UHFFFAOYSA-N -1 0 317.301 1.466 50 0 DDAARM C[C@@H](NC(=O)COc1ccc(Br)cc1)C(=O)[O-] ZINC000000114210 406623733 /nfs/dbraw/zinc/62/37/33/406623733.db2.gz MAJFQXLXQDSVCT-SSDOTTSWSA-N -1 0 302.124 1.417 50 0 DDAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)Nc1cccc(O)c1 ZINC000000236768 406634331 /nfs/dbraw/zinc/63/43/31/406634331.db2.gz FLUJXBBGAJBRLX-CYBMUJFWSA-N -1 0 304.302 1.557 50 0 DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000001472298 406670778 /nfs/dbraw/zinc/67/07/78/406670778.db2.gz YUBGCBIDDMVVOC-ZETCQYMHSA-N -1 0 309.796 1.887 50 0 DDAARM CCOC(=O)C(C=Nc1ccc(C(=O)[O-])cc1)C(=O)OCC ZINC000001807583 406677652 /nfs/dbraw/zinc/67/76/52/406677652.db2.gz CBYVMAFOHIRVGY-UHFFFAOYSA-N -1 0 307.302 1.807 50 0 DDAARM COc1cccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])c1 ZINC000002710419 406697014 /nfs/dbraw/zinc/69/70/14/406697014.db2.gz VHNOYTKZQSLVBB-AWEZNQCLSA-N -1 0 318.329 1.860 50 0 DDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000003001575 406707173 /nfs/dbraw/zinc/70/71/73/406707173.db2.gz FABYPXIXLKUNOF-RNQWEJQRSA-N -1 0 304.346 1.389 50 0 DDAARM CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] ZINC000004218166 406723921 /nfs/dbraw/zinc/72/39/21/406723921.db2.gz BXPACRLYOPBGRM-MRXNPFEDSA-N -1 0 302.330 1.706 50 0 DDAARM CS(=O)(=O)c1nc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n[n-]1 ZINC000069527946 406727881 /nfs/dbraw/zinc/72/78/81/406727881.db2.gz MVNPDDAFJCYYOM-NXEZZACHSA-N -1 0 324.337 1.090 50 0 DDAARM CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000008030001 406775092 /nfs/dbraw/zinc/77/50/92/406775092.db2.gz WEXQPKXTFHJKEW-UHFFFAOYSA-N -1 0 305.327 1.229 50 0 DDAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccccn1)C2=O ZINC000014701135 406876132 /nfs/dbraw/zinc/87/61/32/406876132.db2.gz OWVCUQFCNZPWNO-UHFFFAOYSA-N -1 0 302.334 1.227 50 0 DDAARM CCOCN(C(=O)CS(=O)(=O)[O-])c1c(C)cccc1CC ZINC000033949456 406963868 /nfs/dbraw/zinc/96/38/68/406963868.db2.gz HXAIQOCRALNGKB-UHFFFAOYSA-N -1 0 315.391 1.772 50 0 in-vitro DDAARM COCCNC(=O)CCc1nnc(-c2cccc(C)c2)[n-]c1=O ZINC000034768715 406965954 /nfs/dbraw/zinc/96/59/54/406965954.db2.gz SCEFCXMYGRMIHH-UHFFFAOYSA-N -1 0 316.361 1.248 50 0 DDAARM CSC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000075157295 406924689 /nfs/dbraw/zinc/92/46/89/406924689.db2.gz ZLZPFNMPSOYDDD-LLVKDONJSA-N -1 0 311.375 1.357 50 0 DDAARM COc1cccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)c1OC ZINC000033452415 406961966 /nfs/dbraw/zinc/96/19/66/406961966.db2.gz CJLJIHSLAZYFHR-MYSGNRETSA-N -1 0 307.346 1.942 50 0 DDAARM CCn1cc(S(=O)(=O)N(C)[C@@H](C)C2CC2)cc1C(=O)[O-] ZINC000036864399 406983797 /nfs/dbraw/zinc/98/37/97/406983797.db2.gz OIGNBCKDMIHXOL-VIFPVBQESA-N -1 0 300.380 1.625 50 0 DDAARM Cc1ccccc1-n1cnnc1CN1CCC[C@H](C(=O)[O-])C1 ZINC000085346265 407098435 /nfs/dbraw/zinc/09/84/35/407098435.db2.gz TXEYNWBFNZMHFA-ZDUSSCGKSA-N -1 0 300.362 1.872 50 0 DDAARM Cc1ccccc1-n1cnnc1CN1CCC[C@@H](C(=O)[O-])C1 ZINC000085346269 407099203 /nfs/dbraw/zinc/09/92/03/407099203.db2.gz TXEYNWBFNZMHFA-CYBMUJFWSA-N -1 0 300.362 1.872 50 0 DDAARM Cn1cc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cn1 ZINC000096480103 407270581 /nfs/dbraw/zinc/27/05/81/407270581.db2.gz MZGSVUIJFPJQFJ-UHFFFAOYSA-N -1 0 323.299 1.815 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)CCn2cccn2)c1 ZINC000097259214 407289972 /nfs/dbraw/zinc/28/99/72/407289972.db2.gz VNRYZDRTBJKZRY-UHFFFAOYSA-N -1 0 303.318 1.362 50 0 DDAARM C[C@@H](CN(C)C(=O)c1cccn1C1CCCC1)c1nnn[n-]1 ZINC000124170297 407350084 /nfs/dbraw/zinc/35/00/84/407350084.db2.gz VKVTZIQOTCTISP-NSHDSACASA-N -1 0 302.382 1.992 50 0 DDAARM C[C@H](CN(C)C(=O)Cc1cc(F)c(F)cc1F)c1nnn[n-]1 ZINC000124700609 407367265 /nfs/dbraw/zinc/36/72/65/407367265.db2.gz WYLANDYNHAZASO-SSDOTTSWSA-N -1 0 313.283 1.422 50 0 DDAARM COCCC1(C(=O)[N-]S(=O)(=O)c2sc(C)nc2C)CC1 ZINC000124742684 407368656 /nfs/dbraw/zinc/36/86/56/407368656.db2.gz SCIXSHDEGGIRBF-UHFFFAOYSA-N -1 0 318.420 1.382 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)C1=COCC1 ZINC000170645674 407463872 /nfs/dbraw/zinc/46/38/72/407463872.db2.gz GCYNYMWRVHZBAM-UHFFFAOYSA-N -1 0 304.327 1.344 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000224807177 407578631 /nfs/dbraw/zinc/57/86/31/407578631.db2.gz ZWVJBLSSZLISRA-ZCFIWIBFSA-N -1 0 310.158 1.981 50 0 DDAARM CC(C)N1C[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2)CC1=O ZINC000236596782 407730326 /nfs/dbraw/zinc/73/03/26/407730326.db2.gz KEYOIPPZXHVUHS-ZIAGYGMSSA-N -1 0 318.373 1.576 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000236719676 407761257 /nfs/dbraw/zinc/76/12/57/407761257.db2.gz GEYUGQXBMFYZMI-LSDHHAIUSA-N -1 0 318.373 1.495 50 0 DDAARM Cc1cccc([C@H](C)N2CCO[C@H](C[N@H+](C)CC(=O)[O-])C2)c1 ZINC000262814181 407944004 /nfs/dbraw/zinc/94/40/04/407944004.db2.gz GFBZKWOXSKWTLE-GOEBONIOSA-N -1 0 306.406 1.773 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(OC3CCCC3)c2)CCO1 ZINC000263013541 408000751 /nfs/dbraw/zinc/00/07/51/408000751.db2.gz RLSCKJCIFNAXGD-HNNXBMFYSA-N -1 0 319.357 1.934 50 0 DDAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000154862350 408098102 /nfs/dbraw/zinc/09/81/02/408098102.db2.gz FJKNCWHWEQOTII-VIFPVBQESA-N -1 0 302.330 1.613 50 0 DDAARM C/N=C1/S[C@H](CC(=O)[O-])C(=O)N1c1cc([N+](=O)[O-])ccc1C ZINC000136732336 408124032 /nfs/dbraw/zinc/12/40/32/408124032.db2.gz APELAFTUWRUMFN-WBNXYMAISA-N -1 0 323.330 1.812 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cc(C)nn2C)(C(=O)[O-])C1(C)C ZINC000193042792 408686547 /nfs/dbraw/zinc/68/65/47/408686547.db2.gz PKTFFSYPVFFFNM-XHDPSFHLSA-N -1 0 309.366 1.117 50 0 DDAARM CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc2c1OCO2 ZINC000337978885 409623963 /nfs/dbraw/zinc/62/39/63/409623963.db2.gz MDTRYEOQYSCIJR-SECBINFHSA-N -1 0 315.347 1.289 50 0 DDAARM CC(C)c1nnc(N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)s1 ZINC000299795013 410635723 /nfs/dbraw/zinc/63/57/23/410635723.db2.gz KVAKOBRLNKLAOR-DTWKUNHWSA-N -1 0 322.394 1.474 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(N3CCCC3)c(F)c2)C1 ZINC000178274868 221861399 /nfs/dbraw/zinc/86/13/99/221861399.db2.gz APQJYKMOLHHDHB-GFCCVEGCSA-N -1 0 306.337 1.973 50 0 DDAARM C[C@H]1CCc2nc([N-]S(=O)(=O)c3cnn(C)c3)sc2C1 ZINC000066249664 418486182 /nfs/dbraw/zinc/48/61/82/418486182.db2.gz FEWJKWCACJMSLJ-QMMMGPOBSA-N -1 0 312.420 1.802 50 0 DDAARM CCN(CCOC)C(=O)c1cn(C(C)C)cc(C(=O)[O-])c1=O ZINC000426425510 419469053 /nfs/dbraw/zinc/46/90/53/419469053.db2.gz UXJHRZMXMBNZBV-UHFFFAOYSA-N -1 0 310.350 1.236 50 0 DDAARM CN(Cc1noc(C2CCCC2)n1)C(=O)NCCCC(=O)[O-] ZINC000426649622 419524863 /nfs/dbraw/zinc/52/48/63/419524863.db2.gz LCIACOLFJXAGEO-UHFFFAOYSA-N -1 0 310.354 1.733 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)Cc2ccc3c(c2)OCO3)cc1 ZINC000299744640 229384724 /nfs/dbraw/zinc/38/47/24/229384724.db2.gz PPEDBWMOASAYQH-UHFFFAOYSA-N -1 0 313.309 1.972 50 0 DDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCc3ccccc3C2)C1 ZINC000630255240 421991777 /nfs/dbraw/zinc/99/17/77/421991777.db2.gz HTUDISXHTSOZAD-WMLDXEAASA-N -1 0 303.358 1.494 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000003308061 278249055 /nfs/dbraw/zinc/24/90/55/278249055.db2.gz QUWIEIFFNAJQRK-ZDUSSCGKSA-N -1 0 311.359 1.517 50 0 DDAARM CC(C)(C)[C@H](NC(=O)[C@H]1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000095424664 278530951 /nfs/dbraw/zinc/53/09/51/278530951.db2.gz MUTQTTOIGQRIPP-GXFFZTMASA-N -1 0 304.346 1.728 50 0 DDAARM CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000037414581 280612446 /nfs/dbraw/zinc/61/24/46/280612446.db2.gz UJVHLUFDHZXNJW-WCQYABFASA-N -1 0 313.375 1.019 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000037462827 297059641 /nfs/dbraw/zinc/05/96/41/297059641.db2.gz YMTHXYYRKOJVDN-NXEZZACHSA-N -1 0 314.363 1.151 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)O[C@H](C)C(=O)N3)no1 ZINC000252491922 301364649 /nfs/dbraw/zinc/36/46/49/301364649.db2.gz LZPYXEIMWFTKFG-MRVPVSSYSA-N -1 0 323.330 1.503 50 0 DDAARM NC(=O)c1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000268948174 303345980 /nfs/dbraw/zinc/34/59/80/303345980.db2.gz QVFXCVJXDYHJME-GDLCADMTSA-N -1 0 316.357 1.643 50 0 DDAARM CCc1nnc(CNC(=O)c2cc(OC)cc(C(=O)[O-])c2)s1 ZINC000534650039 334311679 /nfs/dbraw/zinc/31/16/79/334311679.db2.gz DLHXJLWIYLJJQO-UHFFFAOYSA-N -1 0 321.358 1.737 50 0 DDAARM CC(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000585145981 483924978 /nfs/dbraw/zinc/92/49/78/483924978.db2.gz BQJLEFRWFJNLMI-AWEZNQCLSA-N -1 0 305.309 1.890 50 0 DDAARM CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1n[nH]c(=O)[n-]1 ZINC000084736510 484000896 /nfs/dbraw/zinc/00/08/96/484000896.db2.gz PZFQXOVOKCZNSW-NSHDSACASA-N -1 0 301.350 1.381 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)OCC(=O)N3)CCCC1 ZINC000299743527 534484522 /nfs/dbraw/zinc/48/45/22/534484522.db2.gz OACLLXQHCORKSC-UHFFFAOYSA-N -1 0 304.302 1.145 50 0 DDAARM O=C([O-])CN(C(=O)[C@@H]1COc2ccccc2C1)C1CCOCC1 ZINC000299749308 534499182 /nfs/dbraw/zinc/49/91/82/534499182.db2.gz JXBUMSKUPYSKLR-ZDUSSCGKSA-N -1 0 319.357 1.330 50 0 DDAARM Cc1oc(CNC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299750747 534544652 /nfs/dbraw/zinc/54/46/52/534544652.db2.gz OGIWKELWOUGWMK-QWRGUYRKSA-N -1 0 311.334 1.487 50 0 DDAARM COc1ccc(CC(=O)Nc2cnn(CCCC(=O)[O-])c2)cc1 ZINC000006703801 696019821 /nfs/dbraw/zinc/01/98/21/696019821.db2.gz JZVSHGTYLMILBH-UHFFFAOYSA-N -1 0 317.345 1.938 50 0 DDAARM Cc1ncc(C(=O)[O-])c(C2CCN(C(=O)c3cn[nH]c3)CC2)n1 ZINC000675015530 737518943 /nfs/dbraw/zinc/51/89/43/737518943.db2.gz YMLRPWCNGWBBBZ-UHFFFAOYSA-N -1 0 315.333 1.226 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCN(CC(F)(F)F)C2)C1 ZINC000585139570 739402773 /nfs/dbraw/zinc/40/27/73/739402773.db2.gz RFGQYTAHMMIKOF-SKDRFNHKSA-N -1 0 308.300 1.194 50 0 DDAARM FC(F)c1nc2ccc(Cl)cc2c(NCc2nnn[n-]2)n1 ZINC000585135253 771965384 /nfs/dbraw/zinc/96/53/84/771965384.db2.gz ZUJBSQLHQCCGNG-UHFFFAOYSA-N -1 0 311.683 2.346 50 0 DDAARM COc1cc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000328595299 231236276 /nfs/dbraw/zinc/23/62/76/231236276.db2.gz QNNNTMADKHQFBB-XGACYXMMSA-N -1 0 321.329 1.029 50 0 DDAARM C[C@@](O)(CNc1nc2ccccc2nc1N1CCCC1)C(=O)[O-] ZINC000263550540 539276183 /nfs/dbraw/zinc/27/61/83/539276183.db2.gz KMRZRMBSLXRZQX-MRXNPFEDSA-N -1 0 316.361 1.478 50 0 DDAARM Cn1c2ccccc2cc(CN2CCOC[C@@H]2CC(=O)[O-])c1=O ZINC000072147236 191053800 /nfs/dbraw/zinc/05/38/00/191053800.db2.gz PITGYSJDIWLHQS-AWEZNQCLSA-N -1 0 316.357 1.214 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2c(C)nn(C)c2C)c1C ZINC000072239040 191082942 /nfs/dbraw/zinc/08/29/42/191082942.db2.gz MNFGYZLRXIYBFL-UHFFFAOYSA-N -1 0 311.411 1.671 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2ccc(F)cn2)(C(=O)[O-])C1(C)C ZINC000262858063 186314315 /nfs/dbraw/zinc/31/43/15/186314315.db2.gz YMGUKWACYGNJLT-IAQYHMDHSA-N -1 0 310.325 1.609 50 0 DDAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000072411665 191153673 /nfs/dbraw/zinc/15/36/73/191153673.db2.gz BAGDLGIZJNYMHU-AWEZNQCLSA-N -1 0 317.389 1.950 50 0 DDAARM CCc1cc(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)no1 ZINC000072423705 191158905 /nfs/dbraw/zinc/15/89/05/191158905.db2.gz MQRPNDMDGUKGJP-UHFFFAOYSA-N -1 0 318.333 1.150 50 0 DDAARM Cn1cccc1C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072431879 191165073 /nfs/dbraw/zinc/16/50/73/191165073.db2.gz CNPAGJBXKWPVQD-UHFFFAOYSA-N -1 0 316.361 1.285 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000072454526 191171997 /nfs/dbraw/zinc/17/19/97/191171997.db2.gz OXZRVGSDCLNURI-CYBMUJFWSA-N -1 0 303.362 1.642 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)nn1 ZINC000000196692 180722172 /nfs/dbraw/zinc/72/21/72/180722172.db2.gz IPJUXBSYTYFATD-UHFFFAOYSA-N -1 0 322.346 1.244 50 0 in-man DDAARM Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@@H](C)C(=O)[O-] ZINC000004062026 181067807 /nfs/dbraw/zinc/06/78/07/181067807.db2.gz SQMWWMUHXZKECN-VIFPVBQESA-N -1 0 319.313 1.329 50 0 biogenic DDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000004197472 181084715 /nfs/dbraw/zinc/08/47/15/181084715.db2.gz QGKIVHLGDKAKBZ-XQHKEYJVSA-N -1 0 307.733 1.610 50 0 DDAARM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000004792282 181152495 /nfs/dbraw/zinc/15/24/95/181152495.db2.gz KDQLNJPBTLIYNW-WCQYABFASA-N -1 0 322.361 1.527 50 0 DDAARM CC[C@@H](CNC(=O)NCc1n[nH]c(=O)[n-]1)Cc1ccccc1 ZINC000584898904 354799057 /nfs/dbraw/zinc/79/90/57/354799057.db2.gz NBSDPKVVGHGMEB-LLVKDONJSA-N -1 0 303.366 1.578 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000585134151 354811345 /nfs/dbraw/zinc/81/13/45/354811345.db2.gz GAUQNEFUOUZDKY-GARJFASQSA-N -1 0 305.334 1.374 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)[nH]n1 ZINC000236881177 202049316 /nfs/dbraw/zinc/04/93/16/202049316.db2.gz OYOLPKSBLYDFLE-UHFFFAOYSA-N -1 0 309.366 1.629 50 0 DDAARM CCn1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc2ccccc21 ZINC000237197628 202187537 /nfs/dbraw/zinc/18/75/37/202187537.db2.gz SHMQCARDTFIHGF-CYBMUJFWSA-N -1 0 316.357 1.977 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)o1 ZINC000180126843 199119936 /nfs/dbraw/zinc/11/99/36/199119936.db2.gz MFMMMQZTIAQXAV-JTQLQIEISA-N -1 0 316.317 1.167 50 0 DDAARM Cc1cc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)on1 ZINC000180127481 199120722 /nfs/dbraw/zinc/12/07/22/199120722.db2.gz PQGXHCVNHCNITK-UHFFFAOYSA-N -1 0 318.329 1.993 50 0 DDAARM C[C@@]1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000237537682 202274955 /nfs/dbraw/zinc/27/49/55/202274955.db2.gz RTBFQSBVTCVPDU-WMLDXEAASA-N -1 0 303.358 1.593 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237681615 202326578 /nfs/dbraw/zinc/32/65/78/202326578.db2.gz JEHSXJFWUZTWOC-CYBMUJFWSA-N -1 0 307.394 1.825 50 0 DDAARM Cc1cc(C)n(-c2ccc(C(=O)NC3(C(=O)[O-])CC3)cc2F)n1 ZINC000237683269 202327238 /nfs/dbraw/zinc/32/72/38/202327238.db2.gz LSKGKKBRIJDFNJ-UHFFFAOYSA-N -1 0 317.320 1.975 50 0 DDAARM Cc1cccc(-n2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)nn2)c1 ZINC000237824703 202364474 /nfs/dbraw/zinc/36/44/74/202364474.db2.gz BHAHPHBWCCVLQW-INIZCTEOSA-N -1 0 314.345 1.513 50 0 DDAARM Cc1cc2c(cc1C)O[C@H](C(=O)N[C@@](C)(C(=O)[O-])C1CC1)C2 ZINC000237897576 202383962 /nfs/dbraw/zinc/38/39/62/202383962.db2.gz HZDUSNWGBBDWMC-WMLDXEAASA-N -1 0 303.358 1.976 50 0 DDAARM O=C([O-])C1(NC(=O)C2CCN(c3cnccn3)CC2)CCCC1 ZINC000237922158 202391305 /nfs/dbraw/zinc/39/13/05/202391305.db2.gz JCYUTKILFOAGFX-UHFFFAOYSA-N -1 0 318.377 1.207 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CN2CCOc3ccc(Cl)cc32)C1 ZINC000238085919 202437497 /nfs/dbraw/zinc/43/74/97/202437497.db2.gz UQYPXSLJVFFJOA-JTQLQIEISA-N -1 0 324.764 1.472 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCNC(=O)C1CCCCC1 ZINC000159887284 304101965 /nfs/dbraw/zinc/10/19/65/304101965.db2.gz OZJYCFOUQNVLFF-ZDUSSCGKSA-N -1 0 310.394 1.539 50 0 DDAARM CN(CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)Cc1cccnc1 ZINC000091746332 193101778 /nfs/dbraw/zinc/10/17/78/193101778.db2.gz ZYGIGNOIVIOZET-LSDHHAIUSA-N -1 0 317.389 1.083 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)noc2C)C1 ZINC000091906901 193125115 /nfs/dbraw/zinc/12/51/15/193125115.db2.gz TWQDVIKTZMRMFX-INIZCTEOSA-N -1 0 324.377 1.564 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000091986490 193137565 /nfs/dbraw/zinc/13/75/65/193137565.db2.gz YMWVXKCAKGUGKT-MRXNPFEDSA-N -1 0 323.393 1.299 50 0 DDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1ccsc1)CC2 ZINC000092028100 193143665 /nfs/dbraw/zinc/14/36/65/193143665.db2.gz LDEGNPKARCHZLC-LLVKDONJSA-N -1 0 322.386 1.286 50 0 DDAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2nc3ccccc3[nH]2)C1 ZINC000215521924 201463478 /nfs/dbraw/zinc/46/34/78/201463478.db2.gz GIJQXFPFDOBGST-MRXNPFEDSA-N -1 0 301.346 1.819 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)NCc1ccccc1CC(=O)[O-] ZINC000275296150 212254647 /nfs/dbraw/zinc/25/46/47/212254647.db2.gz PZJCRZBFNCFPCR-UHFFFAOYSA-N -1 0 324.358 1.397 50 0 DDAARM CC[C@H](NC(=O)/C=C\c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000222052434 201601397 /nfs/dbraw/zinc/60/13/97/201601397.db2.gz FDHAYPZQSUUMPO-WYGGZMRJSA-N -1 0 321.329 1.459 50 0 DDAARM O=C([O-])CC[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O ZINC000252509995 202860440 /nfs/dbraw/zinc/86/04/40/202860440.db2.gz YZPGPQOKYIZYTR-MRVPVSSYSA-N -1 0 302.208 1.598 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)Cc2ccc3c(c2)CCO3)o1 ZINC000262155631 203215352 /nfs/dbraw/zinc/21/53/52/203215352.db2.gz OHVUCKHDQXHNJI-UHFFFAOYSA-N -1 0 301.298 1.772 50 0 DDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccnc1Cl ZINC000022408617 182320623 /nfs/dbraw/zinc/32/06/23/182320623.db2.gz APFPJYXAQJWKIZ-UHFFFAOYSA-N -1 0 300.771 1.886 50 0 DDAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)nc2)c1 ZINC000024257409 182377759 /nfs/dbraw/zinc/37/77/59/182377759.db2.gz ZRNCFZWNIJIFPI-UHFFFAOYSA-N -1 0 322.342 1.678 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)COC[C@@H]1CCCO1 ZINC000299749594 304206338 /nfs/dbraw/zinc/20/63/38/304206338.db2.gz KXUYCBFKGCFZMK-LSDHHAIUSA-N -1 0 319.357 1.220 50 0 DDAARM COc1ccccc1N(C)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000049970916 183765799 /nfs/dbraw/zinc/76/57/99/183765799.db2.gz NYRJXUKIRYGOLS-UHFFFAOYSA-N -1 0 310.331 1.547 50 0 DDAARM O=C([O-])c1cc(I)nc2c1OCCC2 ZINC000077011138 304225525 /nfs/dbraw/zinc/22/55/25/304225525.db2.gz YILXTUKWZXNMFP-UHFFFAOYSA-N -1 0 305.071 1.709 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnc(-c2ccco2)s1 ZINC000268993877 207150840 /nfs/dbraw/zinc/15/08/40/207150840.db2.gz UVZSTXNSVJZBTH-QMMMGPOBSA-N -1 0 308.315 1.329 50 0 DDAARM Cc1ccccc1OCCCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268996218 207152913 /nfs/dbraw/zinc/15/29/13/207152913.db2.gz WDNIXBNUDNPZQA-CYBMUJFWSA-N -1 0 307.346 1.466 50 0 DDAARM O=C(CC1(C(=O)[O-])CCCC1)Nc1ccc2c(c1)C(=O)NC2 ZINC000058473461 184120083 /nfs/dbraw/zinc/12/00/83/184120083.db2.gz MIVBHJYQHVNSHJ-UHFFFAOYSA-N -1 0 302.330 1.904 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000269093766 207236366 /nfs/dbraw/zinc/23/63/66/207236366.db2.gz XSWKRZDJRMUAMM-HIFRSBDPSA-N -1 0 320.389 1.209 50 0 DDAARM COc1cccc(C)c1C(=O)N[C@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067712741 184481092 /nfs/dbraw/zinc/48/10/92/184481092.db2.gz PSVFHVGITDFBBO-AWEZNQCLSA-N -1 0 317.345 1.899 50 0 DDAARM Cn1c(CCCNC(=O)C2(C(=O)[O-])CC2)nc2ccccc21 ZINC000154899933 197003280 /nfs/dbraw/zinc/00/32/80/197003280.db2.gz UWMKMASVIOBXJO-UHFFFAOYSA-N -1 0 301.346 1.487 50 0 DDAARM O=C([O-])C1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1 ZINC000013167222 257233617 /nfs/dbraw/zinc/23/36/17/257233617.db2.gz IFQFHNSELRUXET-UHFFFAOYSA-N -1 0 303.358 1.877 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1cccc2cccnc12 ZINC000361973320 257236242 /nfs/dbraw/zinc/23/62/42/257236242.db2.gz BIHIPOPMPKONMI-PSKZRQQASA-N -1 0 312.325 1.560 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc2c1OCO2 ZINC000071857653 184871090 /nfs/dbraw/zinc/87/10/90/184871090.db2.gz WZDUXNFJYRRVLC-FZMZJTMJSA-N -1 0 321.329 1.426 50 0 DDAARM COC(=O)c1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004613905 292025208 /nfs/dbraw/zinc/02/52/08/292025208.db2.gz XTVYWQYFLZVDAA-XQHKEYJVSA-N -1 0 317.297 1.066 50 0 DDAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)Nc1cccc(F)c1 ZINC000000543118 406656573 /nfs/dbraw/zinc/65/65/73/406656573.db2.gz ORHIGPMKUOOYQA-CYBMUJFWSA-N -1 0 306.293 1.990 50 0 DDAARM Cc1c(C)c2ccc(OCC(=O)NCCC(=O)[O-])cc2oc1=O ZINC000002140341 406683573 /nfs/dbraw/zinc/68/35/73/406683573.db2.gz YJFPLJFLTPQTPZ-UHFFFAOYSA-N -1 0 319.313 1.380 50 0 biogenic DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc2c(c1)CCO2 ZINC000069571102 406737888 /nfs/dbraw/zinc/73/78/88/406737888.db2.gz YYLWRGGDXVZUIC-CZUORRHYSA-N -1 0 319.357 1.632 50 0 DDAARM CC(=O)c1c[nH]c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC000069708473 406759671 /nfs/dbraw/zinc/75/96/71/406759671.db2.gz ZPJKAWSICLDVHI-UHFFFAOYSA-N -1 0 312.285 1.813 50 0 DDAARM COc1ccc(F)cc1S(=O)(=O)N(C)CCCC(=O)[O-] ZINC000004343623 406723487 /nfs/dbraw/zinc/72/34/87/406723487.db2.gz OBPDOUPTGXRCHI-UHFFFAOYSA-N -1 0 305.327 1.320 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)nc1 ZINC000011615542 406828873 /nfs/dbraw/zinc/82/88/73/406828873.db2.gz GADLDKXLWWOBJG-UHFFFAOYSA-N -1 0 306.343 1.962 50 0 DDAARM O=c1[n-]c(N2CCC3(CC2)OCCO3)nnc1-c1ccccc1 ZINC000011905832 406831833 /nfs/dbraw/zinc/83/18/33/406831833.db2.gz OKIBCMKWZGEEGR-UHFFFAOYSA-N -1 0 314.345 1.175 50 0 DDAARM CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1 ZINC000013028406 406857745 /nfs/dbraw/zinc/85/77/45/406857745.db2.gz UJVHLUFDHZXNJW-YPMHNXCESA-N -1 0 313.375 1.019 50 0 DDAARM COc1cccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000013067343 406858622 /nfs/dbraw/zinc/85/86/22/406858622.db2.gz VTLOWOAPQTWNBO-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 DDAARM COc1cc2[n-]cc(C(=O)C[S@](C)=O)c(=O)c2cc1OC ZINC000071769121 406841923 /nfs/dbraw/zinc/84/19/23/406841923.db2.gz NUWRUWICOQCOCL-OAQYLSRUSA-N -1 0 309.343 1.107 50 0 DDAARM C[C@@H](c1ccncc1)N1C[C@]23C=C[C@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000012404544 406843989 /nfs/dbraw/zinc/84/39/89/406843989.db2.gz IZTDDJXWSQKAAY-YMXDLSOXSA-N -1 0 300.314 1.009 50 0 DDAARM COc1cccc(NC(=O)c2nnc(CCC(=O)[O-])s2)c1 ZINC000034927187 406965626 /nfs/dbraw/zinc/96/56/26/406965626.db2.gz WWQUZTZUNMXSCY-UHFFFAOYSA-N -1 0 307.331 1.816 50 0 DDAARM COC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000036233976 406978528 /nfs/dbraw/zinc/97/85/28/406978528.db2.gz PBCKHGLREDLBAF-LLVKDONJSA-N -1 0 323.330 1.266 50 0 DDAARM O=C([O-])C1CCC(NC(=O)Cc2cn3ccsc3n2)CC1 ZINC000037561492 406990651 /nfs/dbraw/zinc/99/06/51/406990651.db2.gz SUEMKYQZIJLFLK-UHFFFAOYSA-N -1 0 307.375 1.698 50 0 DDAARM CCNc1ccnc(N2CCC[C@@](CCOC)(C(=O)[O-])C2)n1 ZINC000091872186 407183909 /nfs/dbraw/zinc/18/39/09/407183909.db2.gz CTCAYWIOGNYCQA-HNNXBMFYSA-N -1 0 308.382 1.616 50 0 DDAARM Cc1nc(CSCC(=O)NCC(C)(C)C(=O)[O-])cs1 ZINC000095970743 407218465 /nfs/dbraw/zinc/21/84/65/407218465.db2.gz GDRBMUJLKBPLJA-UHFFFAOYSA-N -1 0 302.421 1.912 50 0 DDAARM Cn1cc(CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC000095969907 407218868 /nfs/dbraw/zinc/21/88/68/407218868.db2.gz LINMGSDPFPQJPT-OAHLLOKOSA-N -1 0 313.357 1.391 50 0 DDAARM COc1ccc(-n2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000095971429 407218904 /nfs/dbraw/zinc/21/89/04/407218904.db2.gz QXFBLNKMRMVWBQ-NSHDSACASA-N -1 0 315.329 1.428 50 0 DDAARM Cc1[n-]n(C)c(=O)c1CC(=O)N1CC[C@@H](c2cccc(F)c2)C1 ZINC000095978578 407220131 /nfs/dbraw/zinc/22/01/31/407220131.db2.gz DZIOKCIWVPJNRQ-HIFRSBDPSA-N -1 0 317.364 1.996 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000062913842 407231308 /nfs/dbraw/zinc/23/13/08/407231308.db2.gz ZLTSULZRLJGKQD-SWLSCSKDSA-N -1 0 309.749 1.967 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cccn3nc(C)nc23)cc1 ZINC000065283969 407242024 /nfs/dbraw/zinc/24/20/24/407242024.db2.gz ZUBBFMXPRVXUNM-UHFFFAOYSA-N -1 0 318.358 1.847 50 0 DDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000097039275 407276264 /nfs/dbraw/zinc/27/62/64/407276264.db2.gz SLKRAXLAOJSCIE-DZGCQCFKSA-N -1 0 313.357 1.915 50 0 DDAARM [O-]c1ccc(Cl)c(CN2C[C@@H](CO)[C@H](CO)C2)c1Cl ZINC000097413260 407293625 /nfs/dbraw/zinc/29/36/25/407293625.db2.gz NABGKENBSPETPM-IUCAKERBSA-N -1 0 306.189 1.732 50 0 DDAARM C[C@H](Nc1ncnc2c1Cc1ccccc1OC2)c1n[nH]c(=O)[n-]1 ZINC000097642612 407300909 /nfs/dbraw/zinc/30/09/09/407300909.db2.gz UAYSFFHDIDSKBU-VIFPVBQESA-N -1 0 324.344 1.544 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000225445710 407586822 /nfs/dbraw/zinc/58/68/22/407586822.db2.gz BGQMWTABCSMRKH-AWEZNQCLSA-N -1 0 313.357 1.738 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)CCO1 ZINC000218888254 407524746 /nfs/dbraw/zinc/52/47/46/407524746.db2.gz OFGAMNCNMYKILX-FIFYQCSRSA-N -1 0 301.751 1.727 50 0 DDAARM O=C([O-])CC1CCN(C(=O)Cn2ncc3ccccc32)CC1 ZINC000262413682 407829399 /nfs/dbraw/zinc/82/93/99/407829399.db2.gz JOVZKMKOJWIKFI-UHFFFAOYSA-N -1 0 301.346 1.750 50 0 DDAARM CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(C(=O)[O-])cc1F ZINC000262737906 407911783 /nfs/dbraw/zinc/91/17/83/407911783.db2.gz HWPNTVGMXUBSJR-GFCCVEGCSA-N -1 0 308.309 1.265 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1ccccc1=O ZINC000237975041 407859709 /nfs/dbraw/zinc/85/97/09/407859709.db2.gz HFQBDZHXPJCSJI-AVGNSLFASA-N -1 0 304.346 1.093 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000238084115 407887581 /nfs/dbraw/zinc/88/75/81/407887581.db2.gz LIDJZAUDEFWRSS-GFCCVEGCSA-N -1 0 304.281 1.096 50 0 DDAARM O=C([O-])CN(C(=O)c1n[nH]c2ccccc21)C1CCOCC1 ZINC000238111350 407891043 /nfs/dbraw/zinc/89/10/43/407891043.db2.gz RUOWVRAAAACOPM-UHFFFAOYSA-N -1 0 303.318 1.269 50 0 DDAARM Cc1cccc(OCCCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262923335 407972345 /nfs/dbraw/zinc/97/23/45/407972345.db2.gz FHMKSESZSPEOMY-HNNXBMFYSA-N -1 0 321.373 1.856 50 0 DDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cccc3c2CCC3)C1 ZINC000263147450 408036904 /nfs/dbraw/zinc/03/69/04/408036904.db2.gz UORIXKLFXPUKTK-OLZOCXBDSA-N -1 0 303.358 1.880 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ncccc2OC(C)C)C1 ZINC000263145645 408037126 /nfs/dbraw/zinc/03/71/26/408037126.db2.gz WZPIIVGBBGGYRZ-MRXNPFEDSA-N -1 0 322.361 1.432 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)CC2Cc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC000263142157 408037307 /nfs/dbraw/zinc/03/73/07/408037307.db2.gz OKSMLJWDUPAXHN-IAQYHMDHSA-N -1 0 323.414 1.384 50 0 DDAARM Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000263202265 408056748 /nfs/dbraw/zinc/05/67/48/408056748.db2.gz XMHYXQHWMQQIOJ-JOYOIKCWSA-N -1 0 319.361 1.668 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000263366559 408119261 /nfs/dbraw/zinc/11/92/61/408119261.db2.gz WHSDTWWDALXXLX-KGLIPLIRSA-N -1 0 305.330 1.116 50 0 DDAARM Cc1noc(CCC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000177480349 408633574 /nfs/dbraw/zinc/63/35/74/408633574.db2.gz HITLAANUQIIMFL-LLVKDONJSA-N -1 0 301.302 1.526 50 0 DDAARM Cc1cc(S(=O)(=O)NCc2ccnn2C)cc(C(=O)[O-])c1C ZINC000184926930 408720605 /nfs/dbraw/zinc/72/06/05/408720605.db2.gz HSILUEDJWSCGFA-UHFFFAOYSA-N -1 0 323.374 1.214 50 0 DDAARM C[C@H](NC(=O)CC1CCCC1)C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000252476945 408795476 /nfs/dbraw/zinc/79/54/76/408795476.db2.gz FFPXNBSKWKKXNN-UHTWSYAYSA-N -1 0 310.394 1.441 50 0 DDAARM C[C@@H]1Oc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2NC1=O ZINC000252483982 408797387 /nfs/dbraw/zinc/79/73/87/408797387.db2.gz FLPMEGAUHBHKHM-VIFPVBQESA-N -1 0 319.342 1.602 50 0 DDAARM C[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000178279890 408798988 /nfs/dbraw/zinc/79/89/88/408798988.db2.gz GDCSFAPZADZJCN-JGVFFNPUSA-N -1 0 303.767 1.817 50 0 DDAARM O=C(NCCc1nnc2n1CCCC2)c1ccc([O-])c(Cl)c1 ZINC000166359596 408816076 /nfs/dbraw/zinc/81/60/76/408816076.db2.gz GVAJSAOARIVMCW-UHFFFAOYSA-N -1 0 320.780 1.946 50 0 DDAARM CC[C@@]1(C(N)=O)CCCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)C1 ZINC000299759223 410608859 /nfs/dbraw/zinc/60/88/59/410608859.db2.gz CHVGJROZLWSHMM-MRXNPFEDSA-N -1 0 321.377 1.447 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(N3CCCCC3=O)c2)C1 ZINC000044979122 418436542 /nfs/dbraw/zinc/43/65/42/418436542.db2.gz FWWVXMUBUFDURU-NSHDSACASA-N -1 0 302.330 1.641 50 0 DDAARM O=C([N-]S(=O)(=O)C1CCCCC1)c1c[nH]c(=O)c(Cl)c1 ZINC000049513953 418477779 /nfs/dbraw/zinc/47/77/79/418477779.db2.gz JGEUERDJOXCOAS-UHFFFAOYSA-N -1 0 318.782 1.421 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)c1cccc2c[nH]nc21 ZINC000102140171 418494415 /nfs/dbraw/zinc/49/44/15/418494415.db2.gz VSDFOSIHUSIMJT-NSHDSACASA-N -1 0 323.374 1.192 50 0 DDAARM O=C(Cc1ccccc1)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102990085 418495399 /nfs/dbraw/zinc/49/53/99/418495399.db2.gz UWTDPVBEYIKQCN-UHFFFAOYSA-N -1 0 308.341 1.150 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCc2nc(C)cc(C)n2)c1 ZINC000426478222 419480712 /nfs/dbraw/zinc/48/07/12/419480712.db2.gz YOJOKAHGIXTBDD-UHFFFAOYSA-N -1 0 315.329 1.730 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCC[C@@H]2CCCOC2)c1 ZINC000426501948 228580368 /nfs/dbraw/zinc/58/03/68/228580368.db2.gz XNQOLZNRSCSNEZ-NSHDSACASA-N -1 0 307.346 1.940 50 0 DDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccn3cnnc23)C1 ZINC000426551416 419504461 /nfs/dbraw/zinc/50/44/61/419504461.db2.gz ZPMVOEVJPQBIIQ-OAHLLOKOSA-N -1 0 302.334 1.446 50 0 DDAARM Cc1c(Cl)cccc1OCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299746841 229388592 /nfs/dbraw/zinc/38/85/92/229388592.db2.gz BHNJBZJOWALXQG-LLVKDONJSA-N -1 0 313.737 1.339 50 0 DDAARM COc1ccc(CCCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000299750181 229393816 /nfs/dbraw/zinc/39/38/16/229393816.db2.gz MSDZOGCIIKXFAB-OAHLLOKOSA-N -1 0 321.373 1.720 50 0 DDAARM CC(C)(C)c1ncc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000492180140 421210594 /nfs/dbraw/zinc/21/05/94/421210594.db2.gz IXOBAWDKUUJDHT-WYGGZMRJSA-N -1 0 324.402 1.766 50 0 DDAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])n1ccc(C(F)(F)F)n1 ZINC000630172934 421936936 /nfs/dbraw/zinc/93/69/36/421936936.db2.gz QFEBPWBKRGPATH-JGVFFNPUSA-N -1 0 305.256 1.539 50 0 DDAARM C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]1N1CCOCC1 ZINC000583934701 422222515 /nfs/dbraw/zinc/22/25/15/422222515.db2.gz RTHVTHCCGFWGGI-IUODEOHRSA-N -1 0 318.373 1.178 50 0 DDAARM Cn1nc2c(c1CN=c1[n-]nc(-c3ccncc3)o1)CCCC2 ZINC000630952555 422440584 /nfs/dbraw/zinc/44/05/84/422440584.db2.gz IYVKHEVHAGDUQS-UHFFFAOYSA-N -1 0 310.361 1.778 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)CCO1 ZINC000606442171 422459104 /nfs/dbraw/zinc/45/91/04/422459104.db2.gz VFSOEGPXRVYIOC-BOPNBLERSA-N -1 0 307.321 1.931 50 0 DDAARM COc1ccccc1S(=O)(=O)NC1(C(=O)[O-])CCCCC1 ZINC000036965402 295378803 /nfs/dbraw/zinc/37/88/03/295378803.db2.gz BLMHDZFQIMIMJT-UHFFFAOYSA-N -1 0 313.375 1.761 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cc(COc2ccccc2F)on1 ZINC000263124665 298210376 /nfs/dbraw/zinc/21/03/76/298210376.db2.gz KYXDXKRHEPMCJX-SECBINFHSA-N -1 0 322.292 1.938 50 0 DDAARM Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)n1 ZINC000070688673 301234701 /nfs/dbraw/zinc/23/47/01/301234701.db2.gz MVCWKVOKZBTMEL-GFCCVEGCSA-N -1 0 301.350 1.580 50 0 DDAARM Cc1cc(F)cc2[nH]c(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc21 ZINC000262418505 301305515 /nfs/dbraw/zinc/30/55/15/301305515.db2.gz CFYJLANZXQMIDF-CYBMUJFWSA-N -1 0 306.293 1.541 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CC[C@H]3C(C(=O)[O-])[C@@H]3CC2)cc1 ZINC000097437117 301681555 /nfs/dbraw/zinc/68/15/55/301681555.db2.gz VSEWERIUTZRMAU-CHWSQXEVSA-N -1 0 309.387 1.726 50 0 DDAARM Cn1nc2cc(C(=O)[O-])ccc2c1I ZINC000095743369 303045345 /nfs/dbraw/zinc/04/53/45/303045345.db2.gz OSITZHWRXMKTSE-UHFFFAOYSA-N -1 0 302.071 1.876 50 0 DDAARM CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)[O-] ZINC000002623479 331471520 /nfs/dbraw/zinc/47/15/20/331471520.db2.gz GPVBCMKVUYEXIR-NSHDSACASA-N -1 0 317.432 1.788 50 0 DDAARM Cc1nn(C)c2ncc(C(=O)N3C[C@H](C(=O)[O-])CC[C@H]3C)cc12 ZINC000263530915 484275869 /nfs/dbraw/zinc/27/58/69/484275869.db2.gz WKJOGUYMFQCYAR-MWLCHTKSSA-N -1 0 316.361 1.602 50 0 DDAARM C[C@H]1[C@H](C(F)(F)F)OCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000659218014 484693956 /nfs/dbraw/zinc/69/39/56/484693956.db2.gz MJIOBQLYASDVAO-OIBJUYFYSA-N -1 0 318.251 1.572 50 0 DDAARM Cc1nccc(-c2ccccc2)c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000670442273 484831321 /nfs/dbraw/zinc/83/13/21/484831321.db2.gz HWYPNWCLSLAVNQ-UHFFFAOYSA-N -1 0 309.329 1.811 50 0 DDAARM COc1ccccc1C/C(C)=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000328592981 533983505 /nfs/dbraw/zinc/98/35/05/533983505.db2.gz PFAZVOZWIVSGLA-HBIYDYFMSA-N -1 0 319.357 1.496 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CCO1 ZINC000299746690 534504308 /nfs/dbraw/zinc/50/43/08/534504308.db2.gz ZDEMQOFIHHLIEN-HZSPNIEDSA-N -1 0 307.321 1.631 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)CCO1 ZINC000299748479 534525214 /nfs/dbraw/zinc/52/52/14/534525214.db2.gz HDXJBNHGYPMDLI-ZFWWWQNUSA-N -1 0 303.358 1.809 50 0 DDAARM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299745958 529156384 /nfs/dbraw/zinc/15/63/84/529156384.db2.gz UHRUNYVQOILMFH-MQYQWHSLSA-N -1 0 313.394 1.672 50 0 DDAARM COc1ccccc1/C(C)=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000606441060 599939050 /nfs/dbraw/zinc/93/90/50/599939050.db2.gz BKYYNZOMEUFTAQ-RBJHHQRMSA-N -1 0 305.330 1.411 50 0 DDAARM CS(=O)(=O)c1ccc(Cl)c(NC(=O)C/C=C/C(=O)[O-])c1 ZINC000044980280 696171076 /nfs/dbraw/zinc/17/10/76/696171076.db2.gz ZQGYQZHZXMPYOA-DUXPYHPUSA-N -1 0 317.750 1.713 50 0 DDAARM Cc1ccc(C)c(O[C@@H](C)C(=O)NCCCc2nnn[n-]2)c1 ZINC000055368654 696284186 /nfs/dbraw/zinc/28/41/86/696284186.db2.gz ZWAVDXRBBSJTND-LBPRGKRZSA-N -1 0 303.366 1.333 50 0 DDAARM C[C@H](C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21)C1CC1 ZINC000176565621 745498928 /nfs/dbraw/zinc/49/89/28/745498928.db2.gz HEZNESJRGUCNFS-NSHDSACASA-N -1 0 308.403 1.846 50 0 DDAARM COCCN(Cc1cccnc1)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000824400719 759176926 /nfs/dbraw/zinc/17/69/26/759176926.db2.gz LEMAZFCFMIIDKF-UHFFFAOYSA-N -1 0 321.377 1.637 50 0 DDAARM C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NCCCC(=O)[O-])CC1=O ZINC000096595484 185384283 /nfs/dbraw/zinc/38/42/83/185384283.db2.gz YFGUMSXYIFLHBH-JSGCOSHPSA-N -1 0 318.373 1.577 50 0 DDAARM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)n(C)n1 ZINC000262932848 539275977 /nfs/dbraw/zinc/27/59/77/539275977.db2.gz PBOJQROHBGVKCO-KBPBESRZSA-N -1 0 313.357 1.669 50 0 DDAARM CC(C)[C@@H]1C(=O)NCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263465619 539276234 /nfs/dbraw/zinc/27/62/34/539276234.db2.gz JYJNUTCFUOTIJC-CYBMUJFWSA-N -1 0 319.361 1.051 50 0 DDAARM Cc1cc(-n2c(C)cc(C(=O)NC[C@@H](C)C(=O)[O-])c2C)no1 ZINC000097018675 185398059 /nfs/dbraw/zinc/39/80/59/185398059.db2.gz MDARKELZHUZMIY-MRVPVSSYSA-N -1 0 305.334 1.841 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000071285766 190953125 /nfs/dbraw/zinc/95/31/25/190953125.db2.gz QZRLGUKSNDKVBD-UWVGGRQHSA-N -1 0 310.737 1.734 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071288616 190953471 /nfs/dbraw/zinc/95/34/71/190953471.db2.gz LQFAKDZMQHPHJB-WDEREUQCSA-N -1 0 324.764 1.995 50 0 DDAARM O=C(Nc1ccccn1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100296793 304009480 /nfs/dbraw/zinc/00/94/80/304009480.db2.gz BMBWBNQBESIBAK-UHFFFAOYSA-N -1 0 307.309 1.911 50 0 DDAARM C[C@](NC(=O)c1c(Cl)nc2ccccn21)(C(=O)[O-])C1CC1 ZINC000237452691 186291729 /nfs/dbraw/zinc/29/17/29/186291729.db2.gz IBAQDSXLHQMNTD-CQSZACIVSA-N -1 0 307.737 1.971 50 0 DDAARM CCOc1cc(C(=O)N(C)C)ccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262858641 186314612 /nfs/dbraw/zinc/31/46/12/186314612.db2.gz VBDREGZNLNLEHF-GHMZBOCLSA-N -1 0 320.345 1.446 50 0 DDAARM CSCCC(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072419383 191157715 /nfs/dbraw/zinc/15/77/15/191157715.db2.gz DCZGWHBHVLWXNI-UHFFFAOYSA-N -1 0 311.407 1.386 50 0 DDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O ZINC000003399141 181015137 /nfs/dbraw/zinc/01/51/37/181015137.db2.gz FRXVSOQFDPMKKM-SNVBAGLBSA-N -1 0 320.370 1.651 50 0 DDAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)[O-])cc2oc1=O ZINC000004046470 181067034 /nfs/dbraw/zinc/06/70/34/181067034.db2.gz RIIKYORKAXVOAH-JTQLQIEISA-N -1 0 319.313 1.378 50 0 biogenic DDAARM COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004166091 181080920 /nfs/dbraw/zinc/08/09/20/181080920.db2.gz JBRQLWVBBWJLQN-VOAKCMCISA-N -1 0 323.732 1.941 50 0 DDAARM Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)[O-] ZINC000004205292 181085329 /nfs/dbraw/zinc/08/53/29/181085329.db2.gz ATSRJEPDHYZLQW-UHFFFAOYSA-N -1 0 323.374 1.154 50 0 DDAARM COCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000004488737 181114469 /nfs/dbraw/zinc/11/44/69/181114469.db2.gz ANUJABXYVZIPGJ-KCJUWKMLSA-N -1 0 323.345 1.290 50 0 DDAARM CCC1C(=O)N=C(SCC(=O)N2CCCCCC2)N=C1[O-] ZINC000005129426 181207413 /nfs/dbraw/zinc/20/74/13/181207413.db2.gz DNQQBTFDTWJTMB-UHFFFAOYSA-N -1 0 311.407 1.533 50 0 DDAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NC[C@H]1CCCO1 ZINC000005687480 181272998 /nfs/dbraw/zinc/27/29/98/181272998.db2.gz PDKNIXUQHZFTNE-SNVBAGLBSA-N -1 0 302.330 1.071 50 0 DDAARM CN(C)C(=O)C1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCCC1 ZINC000237125432 202159928 /nfs/dbraw/zinc/15/99/28/202159928.db2.gz WLEJFSZHWUOGDM-UHFFFAOYSA-N -1 0 318.373 1.763 50 0 DDAARM Cc1cccc2c(CC(=O)N3CCO[C@@H](CC(=O)[O-])C3)c[nH]c21 ZINC000237757098 202347420 /nfs/dbraw/zinc/34/74/20/202347420.db2.gz OBHUAOWEDFXFDF-ZDUSSCGKSA-N -1 0 316.357 1.721 50 0 DDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)c[nH]1 ZINC000238105510 202441046 /nfs/dbraw/zinc/44/10/46/202441046.db2.gz IUOPYNIVBWJAFU-SNVBAGLBSA-N -1 0 300.742 1.764 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ncoc2C2CC2)C1 ZINC000091695624 193093613 /nfs/dbraw/zinc/09/36/13/193093613.db2.gz KQBZOHKWFYMXQN-INIZCTEOSA-N -1 0 322.361 1.896 50 0 DDAARM COc1cc(C)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000262084735 203193615 /nfs/dbraw/zinc/19/36/15/203193615.db2.gz HHINTXGABOKJEE-DLOVCJGASA-N -1 0 307.346 1.910 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@H]13)O2 ZINC000004995856 304160338 /nfs/dbraw/zinc/16/03/38/304160338.db2.gz FYMDPHPYLXMCGD-MCYUEQNJSA-N -1 0 305.717 1.711 50 0 DDAARM COc1cccc(N2C(=O)[N-]S(=O)(=O)c3cccnc32)c1 ZINC000096511558 193674644 /nfs/dbraw/zinc/67/46/44/193674644.db2.gz OZLGSLAZJKUJBJ-UHFFFAOYSA-N -1 0 305.315 1.845 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2ccc(Br)o2)CCSC1 ZINC000043503509 304164555 /nfs/dbraw/zinc/16/45/55/304164555.db2.gz LYDSADAFGZJUOE-SNVBAGLBSA-N -1 0 320.164 1.732 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2cnc3ccccc3n2)CCSC1 ZINC000043509872 304164941 /nfs/dbraw/zinc/16/49/41/304164941.db2.gz QDKWBKOZWHRGRT-CQSZACIVSA-N -1 0 303.343 1.320 50 0 DDAARM COc1cc([C@@H]2ON=C(C(=O)[O-])[C@@H]2C)c(OC)c2c1OCO2 ZINC000014987654 181981306 /nfs/dbraw/zinc/98/13/06/181981306.db2.gz YJJCMPMXQUYKAT-QUBYGPBYSA-N -1 0 309.274 1.581 50 0 DDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000020462442 304171194 /nfs/dbraw/zinc/17/11/94/304171194.db2.gz KKOVEKOYDFHKKJ-MJBXVCDLSA-N -1 0 317.341 1.563 50 0 DDAARM CC(C)C[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000015971724 182027232 /nfs/dbraw/zinc/02/72/32/182027232.db2.gz BTSAMJQORZIHHL-LLVKDONJSA-N -1 0 305.334 1.654 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccccc2Cl)c1 ZINC000020553182 182230836 /nfs/dbraw/zinc/23/08/36/182230836.db2.gz RFGMCCQIYJNWOJ-UHFFFAOYSA-N -1 0 306.705 1.839 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)[C@H]2COc3ccccc3C2)CCSC1 ZINC000043508918 183368170 /nfs/dbraw/zinc/36/81/70/183368170.db2.gz KDBHRYOBJLXMKI-IAQYHMDHSA-N -1 0 307.371 1.314 50 0 DDAARM O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1ccc2c(c1)OCCO2 ZINC000072424422 304212122 /nfs/dbraw/zinc/21/21/22/304212122.db2.gz LOOJVOSGEUMOPZ-OAHLLOKOSA-N -1 0 315.329 1.365 50 0 DDAARM O=C([O-])c1c2c(sc1NC(=O)C(=O)N1CCCC1)CCCC2 ZINC000006764578 304218013 /nfs/dbraw/zinc/21/80/13/304218013.db2.gz HMOBSBAYQXSRPC-UHFFFAOYSA-N -1 0 322.386 1.886 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000268926633 207093310 /nfs/dbraw/zinc/09/33/10/207093310.db2.gz WKZVHECMIZEXCY-BFHYXJOUSA-N -1 0 316.357 1.187 50 0 DDAARM COc1cc(F)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000268932034 207098260 /nfs/dbraw/zinc/09/82/60/207098260.db2.gz ZABSTEVSFXVRRJ-SFGNSQDASA-N -1 0 311.309 1.741 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1nc2ccccc2s1 ZINC000268989324 207147211 /nfs/dbraw/zinc/14/72/11/207147211.db2.gz RGLAWLMNLBTHQQ-MVIFTORASA-N -1 0 318.354 1.622 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 ZINC000269049762 207197834 /nfs/dbraw/zinc/19/78/34/207197834.db2.gz VCGLKPJCUFMJOG-ZFWWWQNUSA-N -1 0 319.357 1.393 50 0 DDAARM COc1cccc(CC(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000299749759 533443090 /nfs/dbraw/zinc/44/30/90/533443090.db2.gz LKPASWIIXYNCEC-UHFFFAOYSA-N -1 0 321.373 1.720 50 0 DDAARM CSCC[C@H](NC(=O)NCc1ccccc1F)C(=O)[O-] ZINC000002198778 406683876 /nfs/dbraw/zinc/68/38/76/406683876.db2.gz SBEHVURDIZQOPO-NSHDSACASA-N -1 0 300.355 1.831 50 0 DDAARM Cc1cccc(NNS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000012770619 406850811 /nfs/dbraw/zinc/85/08/11/406850811.db2.gz CLAFWEZFBBSXJM-UHFFFAOYSA-N -1 0 306.343 1.999 50 0 DDAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NCC(F)(F)F ZINC000013419844 406861312 /nfs/dbraw/zinc/86/13/12/406861312.db2.gz HVIMTYFNBSZHOC-UHFFFAOYSA-N -1 0 307.224 1.451 50 0 DDAARM O=C(NCc1ccccn1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409546 407120282 /nfs/dbraw/zinc/12/02/82/407120282.db2.gz DQJGMPDZKYGUIR-UHFFFAOYSA-N -1 0 301.327 1.620 50 0 DDAARM COCC[C@@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)[O-] ZINC000052784893 407157372 /nfs/dbraw/zinc/15/73/72/407157372.db2.gz GNZDETSNUWUXAM-ZYHUDNBSSA-N -1 0 313.737 1.249 50 0 DDAARM COCCn1c(C(=O)NC[C@@H](C)C(=O)[O-])cc2ccccc21 ZINC000089901203 407157531 /nfs/dbraw/zinc/15/75/31/407157531.db2.gz JGLXPABZVAEERV-LLVKDONJSA-N -1 0 304.346 1.738 50 0 DDAARM Cc1ncsc1CCC(=O)N[C@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000095385058 407212635 /nfs/dbraw/zinc/21/26/35/407212635.db2.gz WOCQGONAUYQZHW-ZDUSSCGKSA-N -1 0 322.390 1.666 50 0 DDAARM CCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cn1 ZINC000095969567 407218915 /nfs/dbraw/zinc/21/89/15/407218915.db2.gz HJTNJWAJRDZBQS-ZDUSSCGKSA-N -1 0 305.309 1.988 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CCOc3ccccc32)n1 ZINC000122970060 407315968 /nfs/dbraw/zinc/31/59/68/407315968.db2.gz HVIWWXASNRVBFZ-LLVKDONJSA-N -1 0 301.302 1.473 50 0 DDAARM Cc1nn(C)cc1CCC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000097036121 407275824 /nfs/dbraw/zinc/27/58/24/407275824.db2.gz ZJVYFUYPDOCEFQ-UHFFFAOYSA-N -1 0 307.394 1.811 50 0 DDAARM Cc1ocnc1C(=O)NC[C@@H](Cc1cccc(C)c1)C(=O)[O-] ZINC000097036029 407276367 /nfs/dbraw/zinc/27/63/67/407276367.db2.gz SOZAUBUEJCPYSB-CYBMUJFWSA-N -1 0 302.330 1.965 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ncn(-c3ccccc3)n2)cn1 ZINC000097082373 407278442 /nfs/dbraw/zinc/27/84/42/407278442.db2.gz FNFPJMGOKJMCGX-UHFFFAOYSA-N -1 0 318.362 1.285 50 0 DDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1nc(C)cc(C)n1 ZINC000097114338 407281193 /nfs/dbraw/zinc/28/11/93/407281193.db2.gz CJQABTPCQHEQRT-UHFFFAOYSA-N -1 0 323.422 1.753 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)NCC1(c2ccccc2F)CCCC1 ZINC000067908424 407290122 /nfs/dbraw/zinc/29/01/22/407290122.db2.gz ZPNOACMTBWKWLX-UHFFFAOYSA-N -1 0 318.352 1.408 50 0 DDAARM Cc1ccc(-c2noc(C3=NN(CC(=O)[O-])C(=O)CC3)n2)cc1 ZINC000098212098 407307133 /nfs/dbraw/zinc/30/71/33/407307133.db2.gz QUHOKNOBMZWHPU-UHFFFAOYSA-N -1 0 314.301 1.456 50 0 DDAARM C[C@@H]1CN(C(=O)CN(CC(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC000034926607 296809548 /nfs/dbraw/zinc/80/95/48/296809548.db2.gz UGMWZAXHBOMSIQ-BETUJISGSA-N -1 0 306.362 1.213 50 0 DDAARM C[C@@H](c1ccncc1)N(C)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC000216354498 407494030 /nfs/dbraw/zinc/49/40/30/407494030.db2.gz WMOCTWDJESQAEX-LBPRGKRZSA-N -1 0 315.377 1.585 50 0 DDAARM CCOC(=O)c1cnc([N-]S(=O)(=O)c2cccs2)n1C ZINC000170609237 407452904 /nfs/dbraw/zinc/45/29/04/407452904.db2.gz LGTAGEANVXEZLL-UHFFFAOYSA-N -1 0 315.376 1.459 50 0 DDAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCOc2ccccc21 ZINC000170617156 407457874 /nfs/dbraw/zinc/45/78/74/407457874.db2.gz WDOKCLMDLUKAGY-UHFFFAOYSA-N -1 0 323.326 1.874 50 0 DDAARM C[C@H](CNC(=O)[C@H]1CC(=O)N([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000225431776 407583676 /nfs/dbraw/zinc/58/36/76/407583676.db2.gz FWPSVHVIKCCMBR-BZPMIXESSA-N -1 0 318.373 1.433 50 0 DDAARM CC(C)[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC000236648278 407740540 /nfs/dbraw/zinc/74/05/40/407740540.db2.gz JQTGHVJBJZNZCB-HUUCEWRRSA-N -1 0 320.389 1.113 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000236664338 407743861 /nfs/dbraw/zinc/74/38/61/407743861.db2.gz MIBRPYJNDNMIQS-INIZCTEOSA-N -1 0 304.346 1.260 50 0 DDAARM CC(=O)N(CCC(=O)N1CC[C@H](C(=O)[O-])C1)Cc1ccccc1 ZINC000236718043 407758425 /nfs/dbraw/zinc/75/84/25/407758425.db2.gz NHOBDGCRTQAAMX-HNNXBMFYSA-N -1 0 318.373 1.358 50 0 DDAARM Cc1ccn2cc(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)nc2c1 ZINC000262737978 407912045 /nfs/dbraw/zinc/91/20/45/407912045.db2.gz HXYAGFGQTKITGI-FZMZJTMJSA-N -1 0 317.345 1.252 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc(N2CCCC2=O)c1)C1CC1 ZINC000238089828 407889120 /nfs/dbraw/zinc/88/91/20/407889120.db2.gz KHZLXGAEEKGARF-UHFFFAOYSA-N -1 0 302.330 1.503 50 0 DDAARM Cc1cc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)nn1C ZINC000263235599 408071401 /nfs/dbraw/zinc/07/14/01/408071401.db2.gz BOBGBRZXXNFYTP-MRXNPFEDSA-N -1 0 301.346 1.501 50 0 DDAARM Cc1ccc(CN(C(=O)Cn2cc(C(=O)[O-])nn2)C(C)C)s1 ZINC000263325643 408106198 /nfs/dbraw/zinc/10/61/98/408106198.db2.gz KGAFGLXMXGFXQB-UHFFFAOYSA-N -1 0 322.390 1.783 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(N3CCCNC3=O)c2)C1 ZINC000269131149 408228710 /nfs/dbraw/zinc/22/87/10/408228710.db2.gz BNASJCJHIJCUAB-GFCCVEGCSA-N -1 0 317.345 1.153 50 0 DDAARM CCc1nc(S([O-])=CC(=O)N(C)[C@H]2CCCC[C@H]2C)n[nH]1 ZINC000252512714 408803531 /nfs/dbraw/zinc/80/35/31/408803531.db2.gz UZYJTSSALNLXRD-NNUHMIRASA-N -1 0 312.439 1.512 50 0 DDAARM CCN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCS(=O)(=O)C1 ZINC000298085424 410105334 /nfs/dbraw/zinc/10/53/34/410105334.db2.gz YUTYXLSRTLKBIN-QMMMGPOBSA-N -1 0 317.388 1.096 50 0 DDAARM Cc1cc(C(=O)N=c2[n-]nc3n2CCCC3)nn1[C@@H](C)C1CC1 ZINC000329344932 410245636 /nfs/dbraw/zinc/24/56/36/410245636.db2.gz QSQJMYVIWJZTRN-NSHDSACASA-N -1 0 314.393 1.765 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@@H]2CCCc3ccccc32)n1 ZINC000647780828 423044783 /nfs/dbraw/zinc/04/47/83/423044783.db2.gz PMMJXPOLZRPWLB-GFCCVEGCSA-N -1 0 300.318 1.421 50 0 DDAARM CC(C)(C)c1ncsc1C(=O)Nc1ncn(CC(=O)[O-])n1 ZINC000647782542 423046643 /nfs/dbraw/zinc/04/66/43/423046643.db2.gz RFTJMFIWNXLDAC-UHFFFAOYSA-N -1 0 309.351 1.369 50 0 DDAARM Cc1cc(OCC(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000049864821 418478757 /nfs/dbraw/zinc/47/87/57/418478757.db2.gz MXFPAEBAVWAXDV-GFCCVEGCSA-N -1 0 313.737 1.339 50 0 DDAARM C[C@H](O)CS(=O)(=O)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000193174173 222145659 /nfs/dbraw/zinc/14/56/59/222145659.db2.gz JDXSMTGESGRLQO-VIFPVBQESA-N -1 0 307.375 1.115 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CCO1 ZINC000426492726 419486557 /nfs/dbraw/zinc/48/65/57/419486557.db2.gz APUJUHODNYLUKY-LBPRGKRZSA-N -1 0 301.302 1.002 50 0 DDAARM CSC[C@H](NC(=O)Cc1ccc(F)cc1Cl)C(=O)[O-] ZINC000426394560 419455464 /nfs/dbraw/zinc/45/54/64/419455464.db2.gz IXIPAGNJSLCFAP-JTQLQIEISA-N -1 0 305.758 1.954 50 0 DDAARM Cc1cc(C)c(C(=O)N2CCN(CC(=O)[O-])C(=O)[C@@H]2C)cc1C ZINC000426522948 228583377 /nfs/dbraw/zinc/58/33/77/228583377.db2.gz PNLUMHZSIXXKNX-ZDUSSCGKSA-N -1 0 318.373 1.369 50 0 DDAARM Cc1nonc1CN1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426589933 419514310 /nfs/dbraw/zinc/51/43/10/419514310.db2.gz FVCUJUQRTPOKBQ-LLVKDONJSA-N -1 0 305.338 1.039 50 0 DDAARM Cc1cccc(OCCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000299745207 229386616 /nfs/dbraw/zinc/38/66/16/229386616.db2.gz WRENHSROMJUZNC-CQSZACIVSA-N -1 0 307.346 1.466 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000492189512 421211689 /nfs/dbraw/zinc/21/16/89/421211689.db2.gz WAWDAZSBAKAKDZ-XURPKSDJSA-N -1 0 302.330 1.135 50 0 DDAARM CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N(C)CC(=O)[O-] ZINC000237143068 278059876 /nfs/dbraw/zinc/05/98/76/278059876.db2.gz OVOAYMHDKZRMBG-CQSZACIVSA-N -1 0 304.346 1.065 50 0 DDAARM CC(C)[C@@H](NC(=O)CCN1C(=O)CCc2ccccc21)C(=O)[O-] ZINC000236594871 279882512 /nfs/dbraw/zinc/88/25/12/279882512.db2.gz ZCQFOEAJVMUHNC-MRXNPFEDSA-N -1 0 318.373 1.581 50 0 DDAARM Cn1nc(I)c2cc(C(=O)[O-])ccc21 ZINC000095627682 303043962 /nfs/dbraw/zinc/04/39/62/303043962.db2.gz STFILDDHMDTELI-UHFFFAOYSA-N -1 0 302.071 1.876 50 0 DDAARM N=c1[n-]nc(CCNC(=O)c2ccc(O[C@@H]3CC3(F)F)cc2)o1 ZINC000529113499 303091292 /nfs/dbraw/zinc/09/12/92/303091292.db2.gz CIXIILAINYESMH-SNVBAGLBSA-N -1 0 324.287 1.241 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000521365981 331555657 /nfs/dbraw/zinc/55/56/57/331555657.db2.gz GBAAOWGIKNQBNN-JTQLQIEISA-N -1 0 310.325 1.207 50 0 DDAARM Cc1cc(=O)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cn1C ZINC000534577389 334288186 /nfs/dbraw/zinc/28/81/86/334288186.db2.gz LRAVWGPEGKLIRH-LBPRGKRZSA-N -1 0 306.362 1.411 50 0 DDAARM O=C(CSCc1cc(=O)n2nc[n-]c2n1)Nc1ccccc1 ZINC000102722706 484022171 /nfs/dbraw/zinc/02/21/71/484022171.db2.gz GUBXMHNLDYBPHG-UHFFFAOYSA-N -1 0 315.358 1.290 50 0 DDAARM Cc1csc2nc(C)nc(N[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3O)c12 ZINC000662898587 484529228 /nfs/dbraw/zinc/52/92/28/484529228.db2.gz UZULAPLXXZYWNL-AEJSXWLSSA-N -1 0 307.375 1.944 50 0 DDAARM O=C([O-])CN(C(=O)/C=C/c1ccc2c(c1)OCCO2)C1CC1 ZINC000328593036 534498846 /nfs/dbraw/zinc/49/88/46/534498846.db2.gz CXNHEOHDLSOXIQ-QHHAFSJGSA-N -1 0 303.314 1.547 50 0 DDAARM Cc1oc(CNC(=O)[C@H]2COc3ccccc3O2)cc1C(=O)[O-] ZINC000299742184 534544771 /nfs/dbraw/zinc/54/47/71/534544771.db2.gz IKZHMZZRPFWCRO-CQSZACIVSA-N -1 0 317.297 1.742 50 0 DDAARM Cc1ccc(C)c(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000157003929 524215652 /nfs/dbraw/zinc/21/56/52/524215652.db2.gz QPWHYIYYNFDDCK-WHEQGISXSA-N -1 0 322.430 1.135 50 0 DDAARM Cn1nc(C2CCN(C(=O)OCCCF)CC2)cc1C(=O)[O-] ZINC000952992683 721533961 /nfs/dbraw/zinc/53/39/61/721533961.db2.gz IUPPPEDBEOHPCO-UHFFFAOYSA-N -1 0 313.329 1.794 50 0 DDAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])SCC(=O)N2C2CC2)cc1 ZINC000824659944 759193541 /nfs/dbraw/zinc/19/35/41/759193541.db2.gz RHSHGLMOCVKMFS-ZIAGYGMSSA-N -1 0 307.371 1.927 50 0 DDAARM COc1ccc(C)cc1C(=O)NCCc1nc(N)cc(=O)[nH]1 ZINC000824703959 759196992 /nfs/dbraw/zinc/19/69/92/759196992.db2.gz VNGTUEJSHSRWBQ-UHFFFAOYSA-N -1 0 302.334 1.054 50 0 DDAARM Nc1c(S(=O)(=O)[O-])cc2n[nH]c3c2c1C(=O)c1ccccc1-3 ZINC000005323960 766646609 /nfs/dbraw/zinc/64/66/09/766646609.db2.gz FLTZRWZHLWSRBU-UHFFFAOYSA-N -1 0 315.310 1.603 50 0 DDAARM COC(=O)c1occc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000585118743 771951968 /nfs/dbraw/zinc/95/19/68/771951968.db2.gz ACIFROUTOHFEOE-UHFFFAOYSA-N -1 0 313.335 1.644 50 0 DDAARM COc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1F ZINC000095470248 185372748 /nfs/dbraw/zinc/37/27/48/185372748.db2.gz KBCUPFXJSMYJHC-UHFFFAOYSA-N -1 0 320.276 1.333 50 0 DDAARM Cc1nc(C[C@@H]2CCCN(c3cnc(C(=O)[O-])cn3)C2)no1 ZINC000263528652 539276182 /nfs/dbraw/zinc/27/61/82/539276182.db2.gz VIMQAVCTGAHBHU-JTQLQIEISA-N -1 0 303.322 1.325 50 0 DDAARM CCC[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1nnn[n-]1 ZINC000089949686 185271032 /nfs/dbraw/zinc/27/10/32/185271032.db2.gz GQSFSNULOUDJEZ-CYBMUJFWSA-N -1 0 311.349 1.657 50 0 DDAARM C[C@@H](NC(=O)c1csc(-c2ccc3c(c2)OCO3)n1)C(=O)[O-] ZINC000095425448 185361587 /nfs/dbraw/zinc/36/15/87/185361587.db2.gz KAKLTRGCMRKXOZ-SSDOTTSWSA-N -1 0 320.326 1.742 50 0 DDAARM CC(=O)N[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000236712017 201977489 /nfs/dbraw/zinc/97/74/89/201977489.db2.gz PVFLLJADQSRMHE-OAHLLOKOSA-N -1 0 318.373 1.445 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])C2=O)cc1C ZINC000237471575 186294911 /nfs/dbraw/zinc/29/49/11/186294911.db2.gz UANUOUIAMLCQBY-AAEUAGOBSA-N -1 0 304.346 1.246 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc2c(c1)CCO2 ZINC000262864054 186315569 /nfs/dbraw/zinc/31/55/69/186315569.db2.gz APIMTKPCQMSLCY-OCCSQVGLSA-N -1 0 305.330 1.290 50 0 DDAARM COc1ccc2c(c1)C=C(CN1CCO[C@H](C(=O)[O-])C1)CO2 ZINC000072412317 191155694 /nfs/dbraw/zinc/15/56/94/191155694.db2.gz CYHOVGJASXRNOD-HNNXBMFYSA-N -1 0 305.330 1.256 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)NCc1ccco1)C2 ZINC000072438653 191166890 /nfs/dbraw/zinc/16/68/90/191166890.db2.gz STCVAAKZJVQFKN-UHFFFAOYSA-N -1 0 318.333 1.219 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)NC3CCCC3)CC2)c1 ZINC000072462498 191172428 /nfs/dbraw/zinc/17/24/28/191172428.db2.gz CCCLJJXSVSVXLI-UHFFFAOYSA-N -1 0 320.393 1.719 50 0 DDAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000072458610 191173244 /nfs/dbraw/zinc/17/32/44/191173244.db2.gz LYASEPQBRDDJME-AWEZNQCLSA-N -1 0 319.357 1.690 50 0 DDAARM O=C([O-])C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 ZINC000013944146 304026801 /nfs/dbraw/zinc/02/68/01/304026801.db2.gz CQJGJACBJLXSAD-UHFFFAOYSA-N -1 0 313.722 1.794 50 0 DDAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)OCc1ccccc1 ZINC000002230665 180916588 /nfs/dbraw/zinc/91/65/88/180916588.db2.gz FMNDHIYJCFGUGE-AWEZNQCLSA-N -1 0 303.314 1.956 50 0 DDAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000075093032 353346438 /nfs/dbraw/zinc/34/64/38/353346438.db2.gz KJPWGRDYADKFJL-OLZOCXBDSA-N -1 0 300.362 1.259 50 0 DDAARM CCOC(=O)Cc1csc(NC(=O)CSCC(=O)[O-])n1 ZINC000004381421 181104157 /nfs/dbraw/zinc/10/41/57/181104157.db2.gz IMCKINHNSFDZNS-UHFFFAOYSA-N -1 0 318.376 1.005 50 0 DDAARM COCCOc1ccnc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000005344840 181232432 /nfs/dbraw/zinc/23/24/32/181232432.db2.gz BJNILHZIBHNWJF-UHFFFAOYSA-N -1 0 309.347 1.303 50 0 DDAARM O=C([O-])CCN1C(=O)COc2cc(Br)ccc21 ZINC000032627736 304052736 /nfs/dbraw/zinc/05/27/36/304052736.db2.gz IWEVEABQPMVYFG-UHFFFAOYSA-N -1 0 300.108 1.649 50 0 DDAARM Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000237340986 202238965 /nfs/dbraw/zinc/23/89/65/202238965.db2.gz HMLHPMNXHOETKR-YPMHNXCESA-N -1 0 304.346 1.075 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2OCCc3ccccc32)CCO1 ZINC000299741908 304077309 /nfs/dbraw/zinc/07/73/09/304077309.db2.gz HRLUMWMLOKDVPU-DOMZBBRYSA-N -1 0 305.330 1.003 50 0 DDAARM C[C@@]1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCc2ccccc21 ZINC000237537645 202274485 /nfs/dbraw/zinc/27/44/85/202274485.db2.gz DJVHNFNJASCDMW-KBXCAEBGSA-N -1 0 317.385 1.983 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237607959 202302323 /nfs/dbraw/zinc/30/23/23/202302323.db2.gz VRZFMCSMZPIEIP-WDEREUQCSA-N -1 0 321.421 1.927 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 ZINC000237656525 202319952 /nfs/dbraw/zinc/31/99/52/202319952.db2.gz HRDUEGVJOGLGRI-INIZCTEOSA-N -1 0 300.314 1.465 50 0 DDAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237711725 202334588 /nfs/dbraw/zinc/33/45/88/202334588.db2.gz SZHVSQGBLPERRW-NSHDSACASA-N -1 0 302.334 1.201 50 0 DDAARM Cn1cc(-c2ncc(C(=O)N3CC[C@H](C(=O)[O-])C3)s2)cn1 ZINC000237719764 202339153 /nfs/dbraw/zinc/33/91/53/202339153.db2.gz LPENVCMSZYQIGC-QMMMGPOBSA-N -1 0 306.347 1.090 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 ZINC000238035034 202424183 /nfs/dbraw/zinc/42/41/83/202424183.db2.gz KHXSZTKEGTZSJC-UHFFFAOYSA-N -1 0 313.357 1.868 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2cnn(-c3ccccc3)n2)CC1 ZINC000238044636 202427128 /nfs/dbraw/zinc/42/71/28/202427128.db2.gz AWRRKAGKDJODEI-UHFFFAOYSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C/C=C/c2cccc(F)c2)CCO1 ZINC000238046539 202428226 /nfs/dbraw/zinc/42/82/26/202428226.db2.gz NOYXTVGGMOBGTG-PMUGQKEBSA-N -1 0 307.321 1.931 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)N1CCc2ccccc2C1 ZINC000261770107 304106094 /nfs/dbraw/zinc/10/60/94/304106094.db2.gz VWAFSANNVNPTCD-AWEZNQCLSA-N -1 0 324.402 1.229 50 0 DDAARM O=S1(=O)N=C2CCCN2[C@H](c2ccccc2OC(F)F)[N-]1 ZINC000006550025 181353152 /nfs/dbraw/zinc/35/31/52/181353152.db2.gz WZCGLPOSBJCZMG-LLVKDONJSA-N -1 0 317.317 1.629 50 0 DDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F ZINC000003268102 304115031 /nfs/dbraw/zinc/11/50/31/304115031.db2.gz GIXSYXMUHHKVPS-VIFPVBQESA-N -1 0 323.292 1.943 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CCO1 ZINC000091292870 193032569 /nfs/dbraw/zinc/03/25/69/193032569.db2.gz YRWRHJBUQHFYEA-MRVPVSSYSA-N -1 0 317.139 1.093 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccn2)C1 ZINC000091518939 193068419 /nfs/dbraw/zinc/06/84/19/193068419.db2.gz MFQAABAAJAMBQO-QGZVFWFLSA-N -1 0 320.389 1.744 50 0 DDAARM C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114237 193162168 /nfs/dbraw/zinc/16/21/68/193162168.db2.gz DJXJHLLUQVWTBE-MRVPVSSYSA-N -1 0 301.339 1.943 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3ccccc3c(=O)[nH]2)CCO1 ZINC000261752515 203110614 /nfs/dbraw/zinc/11/06/14/203110614.db2.gz PAYVZBFPSUQGOJ-LLVKDONJSA-N -1 0 316.313 1.256 50 0 DDAARM Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262351975 203271351 /nfs/dbraw/zinc/27/13/51/203271351.db2.gz BNCTXADBQVXKJH-GHMZBOCLSA-N -1 0 311.359 1.199 50 0 DDAARM O=C([O-])COCCNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000093227605 193219081 /nfs/dbraw/zinc/21/90/81/193219081.db2.gz QIOOUDSKAZLHIQ-UHFFFAOYSA-N -1 0 305.252 1.465 50 0 DDAARM CCOc1ccc2c(c1)C=C(C(=O)NC[C@H](C)C(=O)[O-])CO2 ZINC000095970620 193466805 /nfs/dbraw/zinc/46/68/05/193466805.db2.gz XSZRWJVZNLHKBR-JTQLQIEISA-N -1 0 305.330 1.698 50 0 DDAARM Cc1cccc(N2C[C@H](C(=O)N[C@H](C)CC(=O)[O-])CC2=O)c1C ZINC000095970392 193467056 /nfs/dbraw/zinc/46/70/56/193467056.db2.gz BJLOAAABTKRGNR-DGCLKSJQSA-N -1 0 318.373 1.636 50 0 DDAARM O=C([O-])CNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000009421430 181620216 /nfs/dbraw/zinc/62/02/16/181620216.db2.gz RDFHUKOWTRHCEI-UHFFFAOYSA-N -1 0 302.334 1.537 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000012403841 181757307 /nfs/dbraw/zinc/75/73/07/181757307.db2.gz DAFSCTZJTKKQFA-KTRBRXNASA-N -1 0 318.329 1.175 50 0 DDAARM CNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013249189 181838821 /nfs/dbraw/zinc/83/88/21/181838821.db2.gz MECMQLWVVHXMPU-CHWSQXEVSA-N -1 0 302.330 1.652 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccncc1Br ZINC000190549734 304179317 /nfs/dbraw/zinc/17/93/17/304179317.db2.gz MBIRPEMMAAKMEW-SNVBAGLBSA-N -1 0 313.151 1.923 50 0 DDAARM COCCCN1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000020623405 182240096 /nfs/dbraw/zinc/24/00/96/182240096.db2.gz NFGBPSRGWYWWAD-JTQLQIEISA-N -1 0 324.358 1.036 50 0 DDAARM CCN(CC)S(=O)(=O)c1ccc(NCCC(=O)[O-])c(N)c1 ZINC000021155037 182267774 /nfs/dbraw/zinc/26/77/74/182267774.db2.gz OICPNFOXFONOPC-UHFFFAOYSA-N -1 0 315.395 1.186 50 0 DDAARM COc1ccc(-c2nc(C(N)=S)c(NCCC(=O)[O-])o2)cc1 ZINC000035672439 182785335 /nfs/dbraw/zinc/78/53/35/182785335.db2.gz BTVNOUNYAOWHGI-UHFFFAOYSA-N -1 0 321.358 1.871 50 0 DDAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1Cl ZINC000101675392 193834821 /nfs/dbraw/zinc/83/48/21/193834821.db2.gz ZNVDXARTZRKKEP-SNVBAGLBSA-N -1 0 321.724 1.709 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCOc1cccc(Cl)c1 ZINC000088374712 304199376 /nfs/dbraw/zinc/19/93/76/304199376.db2.gz VXMLRTBOXJJZRO-GFCCVEGCSA-N -1 0 313.737 1.421 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000040451241 183068600 /nfs/dbraw/zinc/06/86/00/183068600.db2.gz UOERFCAOTAQPFK-ZETCQYMHSA-N -1 0 317.128 1.571 50 0 DDAARM COc1cccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000041670358 183214510 /nfs/dbraw/zinc/21/45/10/183214510.db2.gz MXOZIVUHNNEWQR-UHFFFAOYSA-N -1 0 302.286 1.194 50 0 DDAARM C[C@@H](CN(C)C(=O)c1ccc(N2CCNC2=O)cc1)C(=O)[O-] ZINC000268926664 207092847 /nfs/dbraw/zinc/09/28/47/207092847.db2.gz FNLIMZQRGPXEMO-JTQLQIEISA-N -1 0 305.334 1.009 50 0 DDAARM COc1cccc(NC(=O)[C@@H](Cc2ccncc2)c2nnn[n-]2)c1 ZINC000057523531 184041153 /nfs/dbraw/zinc/04/11/53/184041153.db2.gz VKBNYUNQICZIMI-AWEZNQCLSA-N -1 0 324.344 1.568 50 0 DDAARM COc1ccccc1C[C@H](C)CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268967772 207132717 /nfs/dbraw/zinc/13/27/17/207132717.db2.gz FEOYWWFDOWRPDZ-GXTWGEPZSA-N -1 0 321.373 1.576 50 0 DDAARM COCCCNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000058428687 184116980 /nfs/dbraw/zinc/11/69/80/184116980.db2.gz KFPFXWDDYZRZAS-UHFFFAOYSA-N -1 0 320.798 1.478 50 0 DDAARM C[C@H]1CCc2c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)csc2C1 ZINC000059226898 184135755 /nfs/dbraw/zinc/13/57/55/184135755.db2.gz DYQXSKDMKSZKQB-JOYOIKCWSA-N -1 0 309.387 1.799 50 0 DDAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccc2nncn2c1 ZINC000065199206 184314262 /nfs/dbraw/zinc/31/42/62/184314262.db2.gz GCGNRIPBXURZST-UHFFFAOYSA-N -1 0 310.285 1.808 50 0 DDAARM O=C([O-])C1CCN(c2cnc(N3CCSCC3)nc2)CC1 ZINC000045796048 134743771 /nfs/dbraw/zinc/74/37/71/134743771.db2.gz SKRSYFZGFNOWLN-UHFFFAOYSA-N -1 0 308.407 1.331 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Br)cn1 ZINC000000040208 406614649 /nfs/dbraw/zinc/61/46/49/406614649.db2.gz ARUJSCMERHQQGJ-UHFFFAOYSA-N -1 0 323.106 1.585 50 0 DDAARM O=C([O-])CSC[C@@H]1NC(=S)N(Cc2ccccc2)C1=O ZINC000000174769 406629310 /nfs/dbraw/zinc/62/93/10/406629310.db2.gz PBYDWVDWQXEJAI-JTQLQIEISA-N -1 0 310.400 1.090 50 0 DDAARM O=C([O-])COc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000000446005 406648614 /nfs/dbraw/zinc/64/86/14/406648614.db2.gz DDHSTVKWHMSVBT-CHWSQXEVSA-N -1 0 301.298 1.606 50 0 DDAARM O=C(Nc1ncccc1O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000002317699 406682973 /nfs/dbraw/zinc/68/29/73/406682973.db2.gz ARBAXIVAZKUAEL-UHFFFAOYSA-N -1 0 323.308 1.616 50 0 DDAARM COc1cc(-c2noc(CCC(=O)[O-])n2)cc(OC)c1OC ZINC000002441851 406687956 /nfs/dbraw/zinc/68/79/56/406687956.db2.gz ZBXYDRGUZTWARM-UHFFFAOYSA-N -1 0 308.290 1.780 50 0 DDAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1Cc2ccccc2O1 ZINC000069560996 406733747 /nfs/dbraw/zinc/73/37/47/406733747.db2.gz YOPWEUALUPLFSO-AWEZNQCLSA-N -1 0 323.308 1.972 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 ZINC000006847392 406741320 /nfs/dbraw/zinc/74/13/20/406741320.db2.gz FJUQTIWEBLERLG-OLZOCXBDSA-N -1 0 317.341 1.741 50 0 DDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccncc2)c1 ZINC000006934171 406744317 /nfs/dbraw/zinc/74/43/17/406744317.db2.gz IPIARLNVTPXMOK-UHFFFAOYSA-N -1 0 306.343 1.833 50 0 DDAARM CCCc1cc(=O)n2nc(N3C(=O)c4ccccc4C3=O)[n-]c2n1 ZINC000009203032 406804829 /nfs/dbraw/zinc/80/48/29/406804829.db2.gz KDAOQZIHZUIALE-UHFFFAOYSA-N -1 0 323.312 1.583 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000013252358 406859437 /nfs/dbraw/zinc/85/94/37/406859437.db2.gz MHWCFCIGKOYFER-CHWSQXEVSA-N -1 0 302.330 1.652 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 ZINC000072275682 406877325 /nfs/dbraw/zinc/87/73/25/406877325.db2.gz LBDHJEMVGIXLGO-BXUZGUMPSA-N -1 0 324.402 1.055 50 0 DDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cnn(C(C)(C)C)c1 ZINC000072275633 406877838 /nfs/dbraw/zinc/87/78/38/406877838.db2.gz GMTBAEJXQHGIJD-TZMCWYRMSA-N -1 0 323.393 1.649 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCc3ccccc32)c[nH]1 ZINC000020002973 406886698 /nfs/dbraw/zinc/88/66/98/406886698.db2.gz DHZBWSDOJUFCEL-UHFFFAOYSA-N -1 0 306.343 1.854 50 0 DDAARM CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000027056648 406907920 /nfs/dbraw/zinc/90/79/20/406907920.db2.gz CHRGYSFUNJDKTE-CHWSQXEVSA-N -1 0 316.357 1.960 50 0 DDAARM COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000034776337 406965418 /nfs/dbraw/zinc/96/54/18/406965418.db2.gz PCAOCANCVQEDSG-SECBINFHSA-N -1 0 317.338 1.320 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000035680303 406974644 /nfs/dbraw/zinc/97/46/44/406974644.db2.gz YWBMZJUGJVMCCE-UHFFFAOYSA-N -1 0 317.172 1.836 50 0 DDAARM Cn1ccc(-c2cc(C(F)F)n3nc(CCC(=O)[O-])nc3n2)n1 ZINC000035655585 406974743 /nfs/dbraw/zinc/97/47/43/406974743.db2.gz SLVAEJMAHIRLNM-UHFFFAOYSA-N -1 0 322.275 1.480 50 0 DDAARM CCOC(=O)N[C@@]([N-]c1ncccn1)(C(=O)OC)C(F)(F)F ZINC000079482841 407055979 /nfs/dbraw/zinc/05/59/79/407055979.db2.gz XGPAPONNNSZNTD-JTQLQIEISA-N -1 0 322.243 1.066 50 0 DDAARM COC(=O)c1ccccc1S(=O)(=O)[N-]C(=O)Cc1ccco1 ZINC000089407010 407133325 /nfs/dbraw/zinc/13/33/25/407133325.db2.gz RPKNDDRXABVVMM-UHFFFAOYSA-N -1 0 323.326 1.114 50 0 DDAARM COc1cc(F)ccc1[C@H](C(=O)[O-])N(C)Cc1cnn(C)c1 ZINC000095383771 407212507 /nfs/dbraw/zinc/21/25/07/407212507.db2.gz ZAMKYNODSCFHHN-CQSZACIVSA-N -1 0 307.325 1.826 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(CC(=O)[O-])CC(C)C ZINC000095969873 407218946 /nfs/dbraw/zinc/21/89/46/407218946.db2.gz VXGQVABZPWSDFE-NSHDSACASA-N -1 0 309.410 1.785 50 0 DDAARM CCc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)s1 ZINC000111253142 407403502 /nfs/dbraw/zinc/40/35/02/407403502.db2.gz VWQXOFHPGZCAHL-PSASIEDQSA-N -1 0 303.405 1.652 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2CC[C@@H](C)O2)s1 ZINC000126046360 407403537 /nfs/dbraw/zinc/40/35/37/407403537.db2.gz ZDOBALHQBHFKAT-HZGVNTEJSA-N -1 0 304.393 1.132 50 0 DDAARM Cc1sc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000195562618 407466962 /nfs/dbraw/zinc/46/69/62/407466962.db2.gz ASQXOJMNWVQVMD-LURJTMIESA-N -1 0 310.339 1.354 50 0 DDAARM O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1CCCN1c1nccs1 ZINC000253428638 407447801 /nfs/dbraw/zinc/44/78/01/407447801.db2.gz QVGIKRCOIXAVMI-JTQLQIEISA-N -1 0 315.420 1.110 50 0 DDAARM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2cccs2)cn1 ZINC000222316256 407554663 /nfs/dbraw/zinc/55/46/63/407554663.db2.gz UPHRFKSKNBRRDE-SREVYHEPSA-N -1 0 308.384 1.970 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000261751746 407600953 /nfs/dbraw/zinc/60/09/53/407600953.db2.gz HHFSALOSSSEWPW-ZDUSSCGKSA-N -1 0 307.394 1.632 50 0 DDAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(-n2ccnn2)cc1)C1CC1 ZINC000262059810 407724866 /nfs/dbraw/zinc/72/48/66/407724866.db2.gz BNXWOPTXCZQABD-JTQLQIEISA-N -1 0 300.318 1.345 50 0 DDAARM C[C@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)[O-] ZINC000237497405 407823393 /nfs/dbraw/zinc/82/33/93/407823393.db2.gz SNKBIUBWZZCORS-SECBINFHSA-N -1 0 308.309 1.403 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1csc(-c2cnccn2)n1 ZINC000238088115 407886686 /nfs/dbraw/zinc/88/66/86/407886686.db2.gz UXPUEVYVVSMNEG-SNVBAGLBSA-N -1 0 304.331 1.289 50 0 DDAARM O=C([O-])CCCCNC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000238178271 407895000 /nfs/dbraw/zinc/89/50/00/407895000.db2.gz IQNKZYOGSFGCQF-NSHDSACASA-N -1 0 324.402 1.724 50 0 DDAARM Cc1ccn2cc(C(=O)N[C@@H](C(=O)[O-])[C@@H]3CCCOC3)nc2c1 ZINC000262737977 407913042 /nfs/dbraw/zinc/91/30/42/407913042.db2.gz HXYAGFGQTKITGI-BXUZGUMPSA-N -1 0 317.345 1.252 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2ccc(OC)nc2)(C(=O)[O-])C1(C)C ZINC000262686381 407899796 /nfs/dbraw/zinc/89/97/96/407899796.db2.gz ARGONDOFBUGCGL-MEDUHNTESA-N -1 0 322.361 1.478 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@@H](CC(=O)[O-])C3)coc2c1 ZINC000237871343 407848678 /nfs/dbraw/zinc/84/86/78/407848678.db2.gz LRXARANYRMGIKY-ZDUSSCGKSA-N -1 0 317.341 1.986 50 0 DDAARM CN(CC(=O)N1CCC[C@@](C)(C(=O)[O-])C1)Cc1ccncc1 ZINC000244874609 407942629 /nfs/dbraw/zinc/94/26/29/407942629.db2.gz XEEBEYWWZPMOFV-MRXNPFEDSA-N -1 0 305.378 1.227 50 0 DDAARM C[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)C[C@H]1C(=O)[O-] ZINC000263127403 408030972 /nfs/dbraw/zinc/03/09/72/408030972.db2.gz MQSLRHXVWNCSQF-MWLCHTKSSA-N -1 0 324.358 1.310 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2sc(C)cc2OC)C1 ZINC000263013817 408000802 /nfs/dbraw/zinc/00/08/02/408000802.db2.gz NHAFOENHEUKIOW-AWEZNQCLSA-N -1 0 313.375 1.628 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CCO1 ZINC000263073646 408019447 /nfs/dbraw/zinc/01/94/47/408019447.db2.gz ZZYUJAIRINUYBM-GFCCVEGCSA-N -1 0 320.276 1.005 50 0 DDAARM O=C([O-])C1(C(=O)NCC(=O)Nc2ccc(F)c(F)c2F)CC1 ZINC000154778333 408083865 /nfs/dbraw/zinc/08/38/65/408083865.db2.gz PXBACLDOKKOISQ-UHFFFAOYSA-N -1 0 316.235 1.023 50 0 DDAARM CC[C@H]1c2ccsc2CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000263351761 408113666 /nfs/dbraw/zinc/11/36/66/408113666.db2.gz PXCOFCWWUQRCMB-NSHDSACASA-N -1 0 320.374 1.574 50 0 DDAARM O=C([O-])Cn1cc(CNC(=O)c2ccc3c(c2)CCC=C3)nn1 ZINC000263542278 408166643 /nfs/dbraw/zinc/16/66/43/408166643.db2.gz RMMZXYOVHNURGO-UHFFFAOYSA-N -1 0 312.329 1.252 50 0 DDAARM C[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(Cl)s1 ZINC000178279860 408798507 /nfs/dbraw/zinc/79/85/07/408798507.db2.gz GDCSFAPZADZJCN-YUMQZZPRSA-N -1 0 303.767 1.817 50 0 DDAARM CC(C)n1cnc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)c1 ZINC000185155717 408772054 /nfs/dbraw/zinc/77/20/54/408772054.db2.gz UNDOYCYFJDZRLI-UHFFFAOYSA-N -1 0 323.374 1.987 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCCc2nc(C3CC3)no2)C1 ZINC000136120968 196521337 /nfs/dbraw/zinc/52/13/37/196521337.db2.gz RVLNFBXHGNFCPL-NSHDSACASA-N -1 0 307.350 1.593 50 0 DDAARM CCOc1ccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000388177811 418745782 /nfs/dbraw/zinc/74/57/82/418745782.db2.gz XLTAKIWVJYIHPB-PODYEWJSSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1cccc([C@@H](NC(=O)C2(Cn3cccn3)CC2)C(=O)[O-])c1 ZINC000426667655 419526317 /nfs/dbraw/zinc/52/63/17/419526317.db2.gz UIJXKDJITOEXDG-CQSZACIVSA-N -1 0 313.357 1.914 50 0 DDAARM Cc1cccc([C@H](NC(=O)CCCc2cn[nH]c2)C(=O)[O-])c1 ZINC000426661946 228593377 /nfs/dbraw/zinc/59/33/77/228593377.db2.gz DPGXGLRRHKFNSU-HNNXBMFYSA-N -1 0 301.346 1.983 50 0 DDAARM CN(C(=O)CCC(=O)NC1(C(=O)[O-])CCC1)C1CCCCC1 ZINC000426512018 419496495 /nfs/dbraw/zinc/49/64/95/419496495.db2.gz DZACHKGYCIVABZ-UHFFFAOYSA-N -1 0 310.394 1.681 50 0 DDAARM Cc1nc(CC(C)C)sc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299748950 229390581 /nfs/dbraw/zinc/39/05/81/229390581.db2.gz IPQMZFSVAOALPU-SNVBAGLBSA-N -1 0 312.391 1.576 50 0 DDAARM O=C([O-])COc1ccc(C(=O)N2CCOCC(F)(F)C2)cc1 ZINC000630299550 422009427 /nfs/dbraw/zinc/00/94/27/422009427.db2.gz MPYPINQIOPNTJD-UHFFFAOYSA-N -1 0 315.272 1.258 50 0 DDAARM O=C([O-])CN(C(=O)[C@H]1Cc2cccc(F)c2O1)C1CCOCC1 ZINC000583650581 422210061 /nfs/dbraw/zinc/21/00/61/422210061.db2.gz MOYMSJJUHYYKHY-CYBMUJFWSA-N -1 0 323.320 1.221 50 0 DDAARM O=C([O-])c1cnc(/C=C/c2cn(C[C@@H]3CCOC3)nn2)s1 ZINC000630952033 422439467 /nfs/dbraw/zinc/43/94/67/422439467.db2.gz UMFXPCOVIHWXTA-VWCDRPFISA-N -1 0 306.347 1.640 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)CCO1 ZINC000606442172 422459598 /nfs/dbraw/zinc/45/95/98/422459598.db2.gz VFSOEGPXRVYIOC-DDGIKZQJSA-N -1 0 307.321 1.931 50 0 DDAARM COc1ccc(C)cc1/C=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000321476514 271027869 /nfs/dbraw/zinc/02/78/69/271027869.db2.gz WREHYMYVXUUUHX-SDQPKGBYSA-N -1 0 319.357 1.719 50 0 DDAARM CONC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012746947 293376680 /nfs/dbraw/zinc/37/66/80/293376680.db2.gz OWHIXAWBGINWKC-UHFFFAOYSA-N -1 0 324.333 1.918 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000521365982 331555534 /nfs/dbraw/zinc/55/55/34/331555534.db2.gz GBAAOWGIKNQBNN-SNVBAGLBSA-N -1 0 310.325 1.207 50 0 DDAARM CC(C)[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ncnn1C ZINC000534589618 334293800 /nfs/dbraw/zinc/29/38/00/334293800.db2.gz KODLHSNTVJALMZ-GFCCVEGCSA-N -1 0 302.334 1.640 50 0 DDAARM Cc1cccnc1CN(C)Cc1cnc(N(C)CC(=O)[O-])nc1 ZINC000534653260 334312818 /nfs/dbraw/zinc/31/28/18/334312818.db2.gz WCRAGLJGZTVBNY-UHFFFAOYSA-N -1 0 315.377 1.333 50 0 DDAARM COc1ccc(CN2CC=C[C@@H]2C(=O)[O-])cc1Cn1cncn1 ZINC000223504357 484153788 /nfs/dbraw/zinc/15/37/88/484153788.db2.gz SLNJEXATBCQZND-CQSZACIVSA-N -1 0 314.345 1.160 50 0 DDAARM Cc1[nH]nc2c1CN(Cc1nc(=O)c3sccc3[n-]1)CC2 ZINC000670444905 484833226 /nfs/dbraw/zinc/83/32/26/484833226.db2.gz ABLGJHXBJIFREG-UHFFFAOYSA-N -1 0 301.375 1.987 50 0 DDAARM Cc1noc(COCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000299750366 534417695 /nfs/dbraw/zinc/41/76/95/534417695.db2.gz NGWBUPCZMMDSAQ-TUAOUCFPSA-N -1 0 323.349 1.139 50 0 DDAARM O=C([O-])CN(C(=O)[C@H]1COc2ccccc2C1)C1CCOCC1 ZINC000299749307 534498323 /nfs/dbraw/zinc/49/83/23/534498323.db2.gz JXBUMSKUPYSKLR-CYBMUJFWSA-N -1 0 319.357 1.330 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2c[nH]c3ccc(F)cc23)CCO1 ZINC000328595234 534525234 /nfs/dbraw/zinc/52/52/34/534525234.db2.gz OQOKRLGZFBREPA-ZDUSSCGKSA-N -1 0 306.293 1.162 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1nc2ccccc2s1 ZINC000492140708 534539888 /nfs/dbraw/zinc/53/98/88/534539888.db2.gz RGLAWLMNLBTHQQ-ISALQUGTSA-N -1 0 318.354 1.622 50 0 DDAARM CCOc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cn1 ZINC000299751895 528390238 /nfs/dbraw/zinc/39/02/38/528390238.db2.gz SGDQJSCICHJWAX-UHFFFAOYSA-N -1 0 322.361 1.576 50 0 DDAARM O=C([O-])c1cccc(CNC(=O)c2[nH]ncc2Br)c1 ZINC000170065829 545648135 /nfs/dbraw/zinc/64/81/35/545648135.db2.gz RSAQLWVAFFQSSW-UHFFFAOYSA-N -1 0 324.134 1.800 50 0 DDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)/C=C\c2ccco2)s1 ZINC000098016279 696606352 /nfs/dbraw/zinc/60/63/52/696606352.db2.gz SMYLWNOZVRMMNB-WAYWQWQTSA-N -1 0 312.372 1.871 50 0 DDAARM Cc1oc(CN(C)C(=O)/C=C/c2cnn(C)c2)cc1C(=O)[O-] ZINC000120749957 696700309 /nfs/dbraw/zinc/70/03/09/696700309.db2.gz WREYYWFAZVCYTP-SNAWJCMRSA-N -1 0 303.318 1.692 50 0 DDAARM C[C@H](NS(C)(=O)=O)c1nnc([N-]c2cccc(F)c2)o1 ZINC000863980827 706050049 /nfs/dbraw/zinc/05/00/49/706050049.db2.gz QOKQKMOHZPPRIG-ZETCQYMHSA-N -1 0 300.315 1.563 50 0 DDAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]c3ncnn23)cc1 ZINC000585129694 771961940 /nfs/dbraw/zinc/96/19/40/771961940.db2.gz RYNMBNKIJUDQNV-VIFPVBQESA-N -1 0 320.378 1.767 50 0 DDAARM O=C([O-])[C@H]1CCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC000095510152 185376252 /nfs/dbraw/zinc/37/62/52/185376252.db2.gz FUCZMIWGPLWEFG-LLVKDONJSA-N -1 0 301.302 1.355 50 0 DDAARM O=C([O-])[C@@]12CN(C(=O)c3cc[nH]n3)C[C@@H]1c1ccccc1OC2 ZINC000095526542 185378099 /nfs/dbraw/zinc/37/80/99/185378099.db2.gz CCXHIUWJXCMVLW-BDJLRTHQSA-N -1 0 313.313 1.113 50 0 DDAARM COc1ccc(Cl)cc1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088373528 185247256 /nfs/dbraw/zinc/24/72/56/185247256.db2.gz MTOFMOFACVSPPG-LLVKDONJSA-N -1 0 313.737 1.203 50 0 DDAARM C[S@@](=O)Cc1cccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000262188171 539275503 /nfs/dbraw/zinc/27/55/03/539275503.db2.gz PNNRUDKHIXLVFF-QVKFZJNVSA-N -1 0 309.387 1.502 50 0 DDAARM COc1cccc(CCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1F ZINC000263196948 539275992 /nfs/dbraw/zinc/27/59/92/539275992.db2.gz ULZIUSKFZVVSFJ-GFCCVEGCSA-N -1 0 311.309 1.079 50 0 DDAARM COc1ccc(Cl)cc1[C@@]1(CCC(=O)[O-])NC(=O)NC1=O ZINC000071669908 191003369 /nfs/dbraw/zinc/00/33/69/191003369.db2.gz PSQBJNPEPVHUCP-CYBMUJFWSA-N -1 0 312.709 1.248 50 0 DDAARM O=S(=O)([O-])CCCCOC[C@H]1COc2cscc2O1 ZINC000072266075 191089809 /nfs/dbraw/zinc/08/98/09/191089809.db2.gz OIRKLPHRLOQDLU-VIFPVBQESA-N -1 0 308.377 1.573 50 0 DDAARM CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-] ZINC000004218173 282795991 /nfs/dbraw/zinc/79/59/91/282795991.db2.gz HSFOCLWWAFICIJ-INIZCTEOSA-N -1 0 302.330 1.850 50 0 DDAARM Nc1cc(=O)[nH]c(SCCC(=O)Nc2ccc(F)cc2)n1 ZINC000019825179 352169954 /nfs/dbraw/zinc/16/99/54/352169954.db2.gz RAGXYTSLMNLHEK-UHFFFAOYSA-N -1 0 308.338 1.612 50 0 DDAARM C[C@H](Nc1cc(-c2ccccc2)nc2ccnn21)c1n[nH]c(=O)[n-]1 ZINC000072417796 191155234 /nfs/dbraw/zinc/15/52/34/191155234.db2.gz KNQVIESTFJMZOR-JTQLQIEISA-N -1 0 321.344 1.981 50 0 DDAARM CCN(CC)S(=O)(=O)[N-]C(=O)Cc1c[nH]c2c1cccc2C ZINC000076021603 353391415 /nfs/dbraw/zinc/39/14/15/353391415.db2.gz BPVUUKMXZUHLFF-UHFFFAOYSA-N -1 0 323.418 1.722 50 0 DDAARM CCOC(=O)[C@H](CSCCC(=O)[O-])NC(=O)OC(C)(C)C ZINC000004013962 181061872 /nfs/dbraw/zinc/06/18/72/181061872.db2.gz LINNMLHTUBJOQW-VIFPVBQESA-N -1 0 321.395 1.651 50 0 DDAARM CC(C)[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)[O-] ZINC000236771183 202001637 /nfs/dbraw/zinc/00/16/37/202001637.db2.gz ZLIKBCBPPGIQHH-ZDUSSCGKSA-N -1 0 304.346 1.874 50 0 DDAARM O=C([O-])COc1ccc(-c2nnn(Cc3ccccc3)n2)cc1 ZINC000004727725 181143745 /nfs/dbraw/zinc/14/37/45/181143745.db2.gz QPTIGVNCWOAOSH-UHFFFAOYSA-N -1 0 310.313 1.852 50 0 DDAARM O=C(Nc1ccc(F)cn1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000585141491 354814845 /nfs/dbraw/zinc/81/48/45/354814845.db2.gz VJTKFFOJEICMFT-QMMMGPOBSA-N -1 0 306.301 1.456 50 0 DDAARM C[C@@H]1C[C@@H](c2ccccc2)n2nc([N-]S(C)(=O)=O)nc2N1 ZINC000005497991 181250012 /nfs/dbraw/zinc/25/00/12/181250012.db2.gz BTBPSPJYTFUGLY-KOLCDFICSA-N -1 0 307.379 1.443 50 0 DDAARM COCC[C@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000081026302 192216860 /nfs/dbraw/zinc/21/68/60/192216860.db2.gz LNPNWUFRYPJUIJ-LBPRGKRZSA-N -1 0 303.362 1.629 50 0 DDAARM CCc1noc(CC)c1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237073286 202142698 /nfs/dbraw/zinc/14/26/98/202142698.db2.gz FHWRDKNPIGTERU-JTQLQIEISA-N -1 0 310.350 1.044 50 0 DDAARM CCn1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C(C)C)n1 ZINC000237232622 202198879 /nfs/dbraw/zinc/19/88/79/202198879.db2.gz NSWONYAKYIGDMP-LLVKDONJSA-N -1 0 309.366 1.342 50 0 DDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237565454 202285195 /nfs/dbraw/zinc/28/51/95/202285195.db2.gz FDNHCRLZTKRNNL-QMMMGPOBSA-N -1 0 302.252 1.956 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CC[C@H](C(=O)[O-])C3)cs2)cn1 ZINC000237715953 202337197 /nfs/dbraw/zinc/33/71/97/202337197.db2.gz WKGAEFFREAXICK-QMMMGPOBSA-N -1 0 306.347 1.090 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2Cc3cccc(F)c3O2)o1 ZINC000238119829 202443472 /nfs/dbraw/zinc/44/34/72/202443472.db2.gz BBFKQRUDIINNIS-LBPRGKRZSA-N -1 0 305.261 1.737 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000238080985 202436772 /nfs/dbraw/zinc/43/67/72/202436772.db2.gz LTNGRHUUAOBNSV-CQSZACIVSA-N -1 0 312.325 1.935 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000272005718 209376653 /nfs/dbraw/zinc/37/66/53/209376653.db2.gz IXMKBECPLLVLTD-GFCCVEGCSA-N -1 0 321.377 1.983 50 0 DDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1noc2c1CCCC2 ZINC000195529625 201398000 /nfs/dbraw/zinc/39/80/00/201398000.db2.gz GFPFXTFGXPKXFX-ZDUSSCGKSA-N -1 0 314.341 1.979 50 0 DDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CN(C)Cc2cccnc2)C1 ZINC000091586312 193075813 /nfs/dbraw/zinc/07/58/13/193075813.db2.gz WKFOLKHGYAOWIO-KRWDZBQOSA-N -1 0 319.405 1.617 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC000091643814 193083667 /nfs/dbraw/zinc/08/36/67/193083667.db2.gz MXJFIINERDEEEZ-LSDHHAIUSA-N -1 0 321.348 1.879 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2cnc(N(C)C)nc2C)C[C@H]1C(=O)[O-] ZINC000091725537 193097982 /nfs/dbraw/zinc/09/79/82/193097982.db2.gz GKGPARQVNOHGSB-DGCLKSJQSA-N -1 0 320.393 1.424 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000091848083 193116958 /nfs/dbraw/zinc/11/69/58/193116958.db2.gz KVPDHVJSKSNKFL-PSASIEDQSA-N -1 0 312.753 1.601 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000299752781 304135465 /nfs/dbraw/zinc/13/54/65/304135465.db2.gz VJLMNTGIWLTSNI-AVGNSLFASA-N -1 0 309.749 1.756 50 0 DDAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1sccc1Cl ZINC000220294449 201574719 /nfs/dbraw/zinc/57/47/19/201574719.db2.gz DXKSFNAFCUDXQJ-RKDXNWHRSA-N -1 0 319.766 1.390 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000262352053 203270388 /nfs/dbraw/zinc/27/03/88/203270388.db2.gz BPQVFBZANPPMQR-FXPVBKGRSA-N -1 0 322.748 1.282 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1coc(-c2ccccc2)n1 ZINC000262518768 203316816 /nfs/dbraw/zinc/31/68/16/203316816.db2.gz QEORFAZBINCFGC-GFCCVEGCSA-N -1 0 302.286 1.267 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(-c2ccoc2)c1 ZINC000262833144 203412165 /nfs/dbraw/zinc/41/21/65/203412165.db2.gz YADLRZJPYBNIFO-CQSZACIVSA-N -1 0 301.298 1.872 50 0 DDAARM CC[C@H](NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000095348423 193425566 /nfs/dbraw/zinc/42/55/66/193425566.db2.gz FDHAYPZQSUUMPO-ZWNMCFTASA-N -1 0 321.329 1.459 50 0 DDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1cscn1)CC2 ZINC000095382303 193440006 /nfs/dbraw/zinc/44/00/06/193440006.db2.gz XCYPOQPGTWTPAY-LLVKDONJSA-N -1 0 309.391 1.041 50 0 DDAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000016978412 182066873 /nfs/dbraw/zinc/06/68/73/182066873.db2.gz BJJSTRNBNGZFOM-UHFFFAOYSA-N -1 0 309.347 1.398 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000029010044 304175917 /nfs/dbraw/zinc/17/59/17/304175917.db2.gz NGVCZDQOULFRBJ-MNOVXSKESA-N -1 0 316.313 1.623 50 0 DDAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)cc1 ZINC000019332202 182116032 /nfs/dbraw/zinc/11/60/32/182116032.db2.gz PHCKCIOWVBYXTO-CYBMUJFWSA-N -1 0 302.330 1.503 50 0 DDAARM CC(C)[C@@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000036293961 182813235 /nfs/dbraw/zinc/81/32/35/182813235.db2.gz WUUMTMYUEVUZRI-GFCCVEGCSA-N -1 0 308.359 1.622 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@@H]1CCCc2ccccc21 ZINC000268974681 304199535 /nfs/dbraw/zinc/19/95/35/304199535.db2.gz JFRWTDZWYLLFOW-DZGCQCFKSA-N -1 0 303.358 1.809 50 0 DDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)N1CCSCC1 ZINC000040558136 183102566 /nfs/dbraw/zinc/10/25/66/183102566.db2.gz HUXPKFMEXQLQBP-LBPRGKRZSA-N -1 0 310.375 1.146 50 0 DDAARM O=C([O-])[C@@H](c1cc(Br)cs1)N1CCOCC1 ZINC000041678537 183216158 /nfs/dbraw/zinc/21/61/58/183216158.db2.gz WPGRXFUJUCBGSX-SECBINFHSA-N -1 0 306.181 1.969 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)CCO1 ZINC000043700470 183381862 /nfs/dbraw/zinc/38/18/62/183381862.db2.gz SUWSYVBCCCQZPB-JTQLQIEISA-N -1 0 303.236 1.631 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@H]2CSc3ccccc32)CCSC1 ZINC000092237634 304213850 /nfs/dbraw/zinc/21/38/50/304213850.db2.gz YJARHYAWNMTBCX-HZMBPMFUSA-N -1 0 309.412 1.952 50 0 DDAARM CCCN(C)S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1 ZINC000273781366 211052082 /nfs/dbraw/zinc/05/20/82/211052082.db2.gz ZBGBTQBYNPTOKV-UHFFFAOYSA-N -1 0 305.327 1.320 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000268932487 207098118 /nfs/dbraw/zinc/09/81/18/207098118.db2.gz APECBMFDCZDOQQ-ZHZWZMEUSA-N -1 0 307.321 1.931 50 0 DDAARM COc1ccc(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000268942514 207107353 /nfs/dbraw/zinc/10/73/53/207107353.db2.gz FQGDECRLSTYDKS-AWEZNQCLSA-N -1 0 307.346 1.330 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccc(Br)cn2)CC1 ZINC000061860225 184190023 /nfs/dbraw/zinc/19/00/23/184190023.db2.gz GYZZBOSQJSCQLV-UHFFFAOYSA-N -1 0 313.151 1.781 50 0 DDAARM Cc1ccccc1OCCCC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269053183 207202441 /nfs/dbraw/zinc/20/24/41/207202441.db2.gz VZLZZKFMQJWJPV-CQSZACIVSA-N -1 0 321.373 1.856 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000062912711 184259463 /nfs/dbraw/zinc/25/94/63/184259463.db2.gz IYRGWAROUUSMEC-AWEZNQCLSA-N -1 0 311.359 1.027 50 0 DDAARM CCCCc1nc([C@@H]2CC(=O)Nc3[nH]nc(C(=O)[O-])c32)c[nH]1 ZINC000065380498 184331996 /nfs/dbraw/zinc/33/19/96/184331996.db2.gz CBPDEMAOSSKBFY-ZETCQYMHSA-N -1 0 303.322 1.648 50 0 DDAARM CS(=O)(=O)[N-]C(=O)c1cnc(-c2ccc3c(c2)CCO3)s1 ZINC000156214516 197095191 /nfs/dbraw/zinc/09/51/91/197095191.db2.gz JXFUYMAUQRLNDV-UHFFFAOYSA-N -1 0 324.383 1.434 50 0 DDAARM O=C1C(=N[O-])c2cccc(Cl)c2N1Cc1ccccc1Cl ZINC000334159425 257262637 /nfs/dbraw/zinc/26/26/37/257262637.db2.gz MVPMQSOWZUEZSJ-UHFFFAOYSA-O -1 0 322.171 1.312 50 0 DDAARM COc1ccc2c(c1)OC[C@@H](C(=O)N1CC[C@H](C(=O)[O-])C1)C2 ZINC000299744550 533280483 /nfs/dbraw/zinc/28/04/83/533280483.db2.gz SVBXJNQLIVGBKK-RYUDHWBXSA-N -1 0 305.330 1.179 50 0 DDAARM CCn1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cn1 ZINC000096433497 484019072 /nfs/dbraw/zinc/01/90/72/484019072.db2.gz VCOJXVBECBEIHZ-UHFFFAOYSA-N -1 0 300.409 2.284 50 0 DDAARM CCO[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000236888609 286380654 /nfs/dbraw/zinc/38/06/54/286380654.db2.gz GBXMMAXSMCCOGQ-QWHCGFSZSA-N -1 0 304.346 1.857 50 0 DDAARM CCOc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])CO2 ZINC000299741787 286570688 /nfs/dbraw/zinc/57/06/88/286570688.db2.gz GCFJKDALVLJVBF-JSGCOSHPSA-N -1 0 319.357 1.712 50 0 DDAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)CCCC(=O)[O-])c1 ZINC000000113503 406623389 /nfs/dbraw/zinc/62/33/89/406623389.db2.gz VIYTWRDZZZKDLK-UHFFFAOYSA-N -1 0 323.301 1.453 50 0 DDAARM CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000000182404 406628787 /nfs/dbraw/zinc/62/87/87/406628787.db2.gz DSEYIKWVSGYNEA-SNVBAGLBSA-N -1 0 312.391 1.886 50 0 DDAARM C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-] ZINC000000226489 406635281 /nfs/dbraw/zinc/63/52/81/406635281.db2.gz OQUUHLBXFYAZAH-SECBINFHSA-N -1 0 302.286 1.735 50 0 DDAARM COc1cccc(CNC(=O)N[C@@H](CCSC)C(=O)[O-])c1 ZINC000002400101 406687515 /nfs/dbraw/zinc/68/75/15/406687515.db2.gz KZALLUUGNMZKOD-LBPRGKRZSA-N -1 0 312.391 1.701 50 0 DDAARM O=C1N2CCSC2=N[C@]1([N-]c1nccs1)C(F)(F)F ZINC000002492483 406689834 /nfs/dbraw/zinc/68/98/34/406689834.db2.gz HQVDQPUQHSZDGV-QMMMGPOBSA-N -1 0 308.310 1.759 50 0 DDAARM CCc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)cc1 ZINC000008592361 406789399 /nfs/dbraw/zinc/78/93/99/406789399.db2.gz KHIJHAMNCPRAAJ-UHFFFAOYSA-N -1 0 309.347 1.560 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CSC2=NCCS2)cc1 ZINC000009026897 406800616 /nfs/dbraw/zinc/80/06/16/406800616.db2.gz CUOCEHKOFIZXCC-UHFFFAOYSA-N -1 0 310.400 1.837 50 0 DDAARM O=C([O-])[C@@H](CO)Nc1nc(C(F)(F)F)nc2ccccc21 ZINC000011768186 406830689 /nfs/dbraw/zinc/83/06/89/406830689.db2.gz SHGXMGZDAPDOBC-MRVPVSSYSA-N -1 0 301.224 1.506 50 0 DDAARM C[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)c1ccncc1 ZINC000013072277 406858540 /nfs/dbraw/zinc/85/85/40/406858540.db2.gz PWRYCDKPYMIPJO-VIFPVBQESA-N -1 0 324.333 1.958 50 0 DDAARM O=C([O-])Cc1csc(NC(=O)COc2cccc(F)c2)n1 ZINC000013406085 406860715 /nfs/dbraw/zinc/86/07/15/406860715.db2.gz KWWSTJKONVVFGJ-UHFFFAOYSA-N -1 0 310.306 1.927 50 0 DDAARM CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013260588 406861239 /nfs/dbraw/zinc/86/12/39/406861239.db2.gz PHZQWUKQCDXCPT-NSHDSACASA-N -1 0 311.359 1.027 50 0 DDAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCCCN2CCCC2=O)C1 ZINC000013323601 406861677 /nfs/dbraw/zinc/86/16/77/406861677.db2.gz ZJFQCMFHBHCZNR-KGLIPLIRSA-N -1 0 322.405 1.562 50 0 DDAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017030777 406883842 /nfs/dbraw/zinc/88/38/42/406883842.db2.gz CYCHRHPBMWTCJC-NSHDSACASA-N -1 0 302.334 1.766 50 0 DDAARM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cccc(F)c1 ZINC000074161781 406904393 /nfs/dbraw/zinc/90/43/93/406904393.db2.gz NJDLXOZCCBYOSA-UHFFFAOYSA-N -1 0 314.320 1.709 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)Nc2c(F)cccc2F)c[nH]1 ZINC000034957572 406966722 /nfs/dbraw/zinc/96/67/22/406966722.db2.gz UKXWDGHNHDJPHN-UHFFFAOYSA-N -1 0 302.258 1.792 50 0 DDAARM COc1ccc(-c2c(C)nn3c2NC(=O)[C@H](CC(=O)[O-])C3)cc1 ZINC000035324945 406972358 /nfs/dbraw/zinc/97/23/58/406972358.db2.gz PLQNBVONWBCYGT-LLVKDONJSA-N -1 0 315.329 1.910 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(=O)[nH]ncn3c2)cc1C ZINC000075874142 406944180 /nfs/dbraw/zinc/94/41/80/406944180.db2.gz KFEFFQIPNMCLED-UHFFFAOYSA-N -1 0 318.358 1.440 50 0 DDAARM Cn1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@@H]32)cc1C(=O)[O-] ZINC000087767969 407120726 /nfs/dbraw/zinc/12/07/26/407120726.db2.gz DZGICVFIHJJRTA-JQWIXIFHSA-N -1 0 312.391 1.677 50 0 DDAARM CC[C@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccccc1OC ZINC000089947928 407162725 /nfs/dbraw/zinc/16/27/25/407162725.db2.gz WKZAOIBBUGUAFV-LBPRGKRZSA-N -1 0 317.345 1.225 50 0 DDAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)C3(CO)CC3)C2)cc1 ZINC000095353915 407207988 /nfs/dbraw/zinc/20/79/88/407207988.db2.gz SAJDIZQONYEFFJ-CQSZACIVSA-N -1 0 303.358 1.863 50 0 DDAARM CN(CCOc1ccccc1)[C@@H](C(=O)[O-])c1ccc(N)nc1 ZINC000095358806 407209121 /nfs/dbraw/zinc/20/91/21/407209121.db2.gz LHLYWGNTQRVDEZ-OAHLLOKOSA-N -1 0 301.346 1.800 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc(CC(C)C)no1)C(=O)[O-] ZINC000095531523 407214362 /nfs/dbraw/zinc/21/43/62/407214362.db2.gz OWDMOXFGQYVNIC-CYBMUJFWSA-N -1 0 320.349 1.769 50 0 DDAARM C[C@H](CN(C)C(=O)[C@H]1CCCN(C(=O)c2ccoc2)C1)C(=O)[O-] ZINC000095970492 407218885 /nfs/dbraw/zinc/21/88/85/407218885.db2.gz HPNFVWVSYQBBMV-NEPJUHHUSA-N -1 0 322.361 1.311 50 0 DDAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(C)cc2)c1C(N)=O ZINC000096182132 407243678 /nfs/dbraw/zinc/24/36/78/407243678.db2.gz YGIQKGLIHAJYHJ-UHFFFAOYSA-N -1 0 322.390 1.420 50 0 DDAARM Cc1cc([N-]S(=O)(=O)CCOc2ccccc2F)no1 ZINC000096191826 407246907 /nfs/dbraw/zinc/24/69/07/407246907.db2.gz LCMLEKUOBOFEOW-UHFFFAOYSA-N -1 0 300.311 1.943 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)n1 ZINC000122979551 407316080 /nfs/dbraw/zinc/31/60/80/407316080.db2.gz MROHATKKSRAKIN-QWRGUYRKSA-N -1 0 321.283 1.988 50 0 DDAARM C[C@@H](CNC(=O)c1cc(F)cc2cccnc21)c1nnn[n-]1 ZINC000097377536 407292923 /nfs/dbraw/zinc/29/29/23/407292923.db2.gz MLRJPCMWDHVRLK-QMMMGPOBSA-N -1 0 300.297 1.421 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1 ZINC000122772530 407309935 /nfs/dbraw/zinc/30/99/35/407309935.db2.gz DDLNTZAICWGARN-NSHDSACASA-N -1 0 305.265 1.049 50 0 DDAARM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1ccsc1 ZINC000253424961 407444445 /nfs/dbraw/zinc/44/44/45/407444445.db2.gz MYASYJAHGQGNGF-SNVBAGLBSA-N -1 0 319.404 1.540 50 0 DDAARM COCCCC(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000170621729 407456801 /nfs/dbraw/zinc/45/68/01/407456801.db2.gz VOMGBNSCGIHLEA-UHFFFAOYSA-N -1 0 308.359 1.466 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)ccc21 ZINC000236590790 407729915 /nfs/dbraw/zinc/72/99/15/407729915.db2.gz WHQZMFMGVCZSNE-CYBMUJFWSA-N -1 0 302.330 1.142 50 0 DDAARM Nc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000261900670 407663307 /nfs/dbraw/zinc/66/33/07/407663307.db2.gz AFCZBKHQPUZPKP-NXEZZACHSA-N -1 0 302.252 1.604 50 0 DDAARM CC(C)[S@@](=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000236696597 407754885 /nfs/dbraw/zinc/75/48/85/407754885.db2.gz SSYNJDXEQKLVBQ-YEJXKQKISA-N -1 0 309.387 1.892 50 0 DDAARM Cc1noc(C)c1[C@@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237447798 407820261 /nfs/dbraw/zinc/82/02/61/407820261.db2.gz VEFAENVKURWWBG-SECBINFHSA-N -1 0 310.350 1.487 50 0 DDAARM O=C(CN1CCC[C@H]1C(=O)[O-])Nc1nc2c(s1)CCCC2 ZINC000262650893 407891242 /nfs/dbraw/zinc/89/12/42/407891242.db2.gz LJBDBIAFAPUPKS-JTQLQIEISA-N -1 0 309.391 1.509 50 0 DDAARM O=C([O-])COc1cccc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000262768696 407922586 /nfs/dbraw/zinc/92/25/86/407922586.db2.gz GVEDMHGONICSJP-HIFRSBDPSA-N -1 0 319.357 1.837 50 0 DDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ncc2ccccc21 ZINC000263217379 408062716 /nfs/dbraw/zinc/06/27/16/408062716.db2.gz OJCYMEQWGZOQSQ-DGCLKSJQSA-N -1 0 301.346 1.748 50 0 DDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc(OC2CCOCC2)cc1 ZINC000263336461 408111001 /nfs/dbraw/zinc/11/10/01/408111001.db2.gz QZMLYIQDMCMUSF-BETUJISGSA-N -1 0 319.357 1.837 50 0 DDAARM Cc1cccc(CCNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)n1 ZINC000263352984 408117394 /nfs/dbraw/zinc/11/73/94/408117394.db2.gz QEXKDAIZGZPEJR-WCQYABFASA-N -1 0 305.378 1.685 50 0 DDAARM CC(C)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)n(C)n1 ZINC000193002939 408682641 /nfs/dbraw/zinc/68/26/41/408682641.db2.gz ORNKOJMYRXFJPR-UHFFFAOYSA-N -1 0 319.365 1.812 50 0 DDAARM CCc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000276105749 408821138 /nfs/dbraw/zinc/82/11/38/408821138.db2.gz JQBKIKOCNDEFAE-RISCZKNCSA-N -1 0 311.403 1.980 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000647744976 423028741 /nfs/dbraw/zinc/02/87/41/423028741.db2.gz NRBHNHMLHKEVOL-GHMZBOCLSA-N -1 0 321.283 1.988 50 0 DDAARM Cc1noc(C2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)n1 ZINC000046087469 418445884 /nfs/dbraw/zinc/44/58/84/418445884.db2.gz SWPUDMODKKJVHG-CHWSQXEVSA-N -1 0 319.361 1.751 50 0 DDAARM O=C(Cc1ccsc1)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102990004 418495727 /nfs/dbraw/zinc/49/57/27/418495727.db2.gz GQEDESVICJXDBF-UHFFFAOYSA-N -1 0 314.370 1.212 50 0 DDAARM CC(C)CS(=O)(=O)[N-]C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115910980 418502026 /nfs/dbraw/zinc/50/20/26/418502026.db2.gz MTTQFPCQEKQEDW-AWEZNQCLSA-N -1 0 311.403 1.793 50 0 DDAARM CCCn1cc(CNC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cn1 ZINC000426370821 419450028 /nfs/dbraw/zinc/45/00/28/419450028.db2.gz SPCSRATYKROWAA-UHFFFAOYSA-N -1 0 304.350 1.866 50 0 DDAARM Cc1cccc([C@@H](NC(=O)CCCc2cn[nH]c2)C(=O)[O-])c1 ZINC000426661947 228593622 /nfs/dbraw/zinc/59/36/22/228593622.db2.gz DPGXGLRRHKFNSU-OAHLLOKOSA-N -1 0 301.346 1.983 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 ZINC000299743983 229381619 /nfs/dbraw/zinc/38/16/19/229381619.db2.gz QGYXIBQRWOVLBN-CYBMUJFWSA-N -1 0 316.357 1.289 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2OCCc3ccccc32)CCO1 ZINC000299741911 229377112 /nfs/dbraw/zinc/37/71/12/229377112.db2.gz HRLUMWMLOKDVPU-WFASDCNBSA-N -1 0 305.330 1.003 50 0 DDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)nnn1-c1ccc(F)cc1 ZINC000299744321 229385326 /nfs/dbraw/zinc/38/53/26/229385326.db2.gz RYSPOJBBSXNQIS-SNVBAGLBSA-N -1 0 318.308 1.262 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCn1cncn1 ZINC000299747322 229388761 /nfs/dbraw/zinc/38/87/61/229388761.db2.gz CPKCOJPVEIBUHQ-XQQFMLRXSA-N -1 0 306.366 1.303 50 0 DDAARM CCn1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000299747207 229389175 /nfs/dbraw/zinc/38/91/75/229389175.db2.gz CJDCSJDAAMWOSZ-RTXFEEFZSA-N -1 0 319.361 1.121 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CCO1 ZINC000299752717 229396432 /nfs/dbraw/zinc/39/64/32/229396432.db2.gz VDICCSWTKFLRNA-WZRBSPASSA-N -1 0 309.749 1.756 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)CCCN1C(=O)CCc2ccccc21 ZINC000521366000 421783649 /nfs/dbraw/zinc/78/36/49/421783649.db2.gz LCLGSJUUGJWEOM-LBPRGKRZSA-N -1 0 318.373 1.678 50 0 DDAARM CC(=O)SC[C@H](C)C(=O)N1[C@H](C(=O)[O-])CSC1(C)C ZINC000039331936 278223210 /nfs/dbraw/zinc/22/32/10/278223210.db2.gz BBCOUGJJTVEWAV-CBAPKCEASA-N -1 0 305.421 1.667 50 0 DDAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCCCn2ccnc2)C1 ZINC000039349666 281664977 /nfs/dbraw/zinc/66/49/77/281664977.db2.gz WCWGDJNDACBHMG-KGLIPLIRSA-N -1 0 305.378 1.837 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)c3cc(C)on3)CC2)c1 ZINC000072454358 302398764 /nfs/dbraw/zinc/39/87/64/302398764.db2.gz WRRKQINHUHVTPP-UHFFFAOYSA-N -1 0 318.333 1.204 50 0 DDAARM Cn1cc(S(=O)(=O)N2CCC[C@@H]3CCC[C@H]32)cc1C(=O)[O-] ZINC000230235463 302917828 /nfs/dbraw/zinc/91/78/28/302917828.db2.gz DZGICVFIHJJRTA-CMPLNLGQSA-N -1 0 312.391 1.677 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000571526456 308197473 /nfs/dbraw/zinc/19/74/73/308197473.db2.gz UDVPMRUIWACGJL-ZIBATOQPSA-N -1 0 321.373 1.866 50 0 DDAARM Cc1ccc(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])n1C(F)F ZINC000534673603 334321276 /nfs/dbraw/zinc/32/12/76/334321276.db2.gz BIIOHQGZLQAYST-LLVKDONJSA-N -1 0 324.287 1.566 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000262061018 484261357 /nfs/dbraw/zinc/26/13/57/484261357.db2.gz HDWOJZSCEQGVPD-KWBADKCTSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2CCc3ccccc3C2)CCO1 ZINC000299742040 534524403 /nfs/dbraw/zinc/52/44/03/534524403.db2.gz ATNDHHDKXQTLNS-WFASDCNBSA-N -1 0 303.358 1.494 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)COCc1ccccc1Cl ZINC000299747014 534525724 /nfs/dbraw/zinc/52/57/24/534525724.db2.gz BVGBFHJISXAGFC-LBPRGKRZSA-N -1 0 313.737 1.169 50 0 DDAARM CC(C)COc1ccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000299747186 528147452 /nfs/dbraw/zinc/14/74/52/528147452.db2.gz CIDLUFSGQQZBKO-HNNXBMFYSA-N -1 0 321.373 1.576 50 0 DDAARM Cc1nc(N2CCN(c3ccc(F)cc3)CC2)ncc1C(=O)[O-] ZINC000169751160 563897163 /nfs/dbraw/zinc/89/71/63/563897163.db2.gz ZAMFOQBJQQNERZ-UHFFFAOYSA-N -1 0 316.336 1.949 50 0 DDAARM Cc1onc(CO)c1C(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000888096856 709212303 /nfs/dbraw/zinc/21/23/03/709212303.db2.gz ODSNOCHRCJSAIU-FKTZTGRPSA-N -1 0 310.350 1.341 50 0 DDAARM COCC1(CNS(=O)(=O)c2ccccc2C(=O)[O-])CCC1 ZINC000824346667 759173528 /nfs/dbraw/zinc/17/35/28/759173528.db2.gz AZVZMKPJZOMBPF-UHFFFAOYSA-N -1 0 313.375 1.480 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1F ZINC000079102248 185158521 /nfs/dbraw/zinc/15/85/21/185158521.db2.gz ICWQEYTXRFSMGX-UHFFFAOYSA-N -1 0 307.310 1.373 50 0 DDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000262932869 539275990 /nfs/dbraw/zinc/27/59/90/539275990.db2.gz PBUPMWQLRFMUKG-PBHICJAKSA-N -1 0 303.358 1.666 50 0 DDAARM NC(=O)C1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000092600796 185328494 /nfs/dbraw/zinc/32/84/94/185328494.db2.gz UNXOJHYVDMIALS-UHFFFAOYSA-N -1 0 304.733 1.947 50 0 DDAARM O=C(C=C1CCCC1)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940498 539563963 /nfs/dbraw/zinc/56/39/63/539563963.db2.gz MZHIZANFNKEUON-UPJWGTAASA-N -1 0 304.350 1.299 50 0 DDAARM Cc1cccc(-c2noc(C3=NN(CC(=O)[O-])C(=O)CC3)n2)c1 ZINC000072265062 191089678 /nfs/dbraw/zinc/08/96/78/191089678.db2.gz RBSFUGTVBRIVED-UHFFFAOYSA-N -1 0 314.301 1.456 50 0 DDAARM CS[C@H](CO)[C@H](C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000152465071 186076223 /nfs/dbraw/zinc/07/62/23/186076223.db2.gz QZPJORJMQOZNJM-WRWORJQWSA-N -1 0 312.416 1.959 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000225587714 186280571 /nfs/dbraw/zinc/28/05/71/186280571.db2.gz UVWFNFMTPLNQIU-UHFFFAOYSA-N -1 0 321.782 1.834 50 0 DDAARM CC1(C)[C@H](C(=O)NCCNC(=O)Nc2ccccc2)[C@@H]1C(=O)[O-] ZINC000072400534 191150760 /nfs/dbraw/zinc/15/07/60/191150760.db2.gz UORPATOUVFRQBT-NWDGAFQWSA-N -1 0 319.361 1.281 50 0 DDAARM COc1ccc(NCc2nn3c([n-]2)nc(C)cc3=O)c(OC)c1 ZINC000021796228 352175065 /nfs/dbraw/zinc/17/50/65/352175065.db2.gz DDZVVLDJEMGCOT-UHFFFAOYSA-N -1 0 315.333 1.355 50 0 DDAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)COCc1ccccc1 ZINC000072430868 191162754 /nfs/dbraw/zinc/16/27/54/191162754.db2.gz PPFDQLOLCVGVLH-OAHLLOKOSA-N -1 0 315.329 1.137 50 0 DDAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1CCc1ccccc1 ZINC000061718716 352893123 /nfs/dbraw/zinc/89/31/23/352893123.db2.gz PQPQXSQQZRKPTN-AWEZNQCLSA-N -1 0 320.414 1.630 50 0 DDAARM O=C(NCCCc1ccc(Cl)cc1Cl)c1n[nH]c(=O)[n-]1 ZINC000076093898 353398077 /nfs/dbraw/zinc/39/80/77/353398077.db2.gz IHLILQRQPOMIRU-UHFFFAOYSA-N -1 0 315.160 1.767 50 0 DDAARM Cc1cccc([C@@H](C)C(=O)N2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000096002332 353913434 /nfs/dbraw/zinc/91/34/34/353913434.db2.gz SHVOSCMBESWOMP-LLVKDONJSA-N -1 0 314.345 1.472 50 0 DDAARM CCc1nnc(NC(=O)CSc2nnc(C)c(=O)[n-]2)s1 ZINC000003664728 181044408 /nfs/dbraw/zinc/04/44/08/181044408.db2.gz CAXIURGGPYSAMY-UHFFFAOYSA-N -1 0 312.380 1.030 50 0 DDAARM Cn1nccc1-c1cc(-c2ccnn2C)n2nc(C(=O)[O-])cc2n1 ZINC000004294498 181093522 /nfs/dbraw/zinc/09/35/22/181093522.db2.gz BFVRFHNGJVSAFQ-UHFFFAOYSA-N -1 0 323.316 1.229 50 0 DDAARM O=c1ccc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2o1 ZINC000004411697 181107443 /nfs/dbraw/zinc/10/74/43/181107443.db2.gz RKTGQENYDSHLBX-UHFFFAOYSA-N -1 0 302.311 1.989 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000237646069 202317378 /nfs/dbraw/zinc/31/73/78/202317378.db2.gz UHYLRSYUYCWOIR-QGZVFWFLSA-N -1 0 313.357 1.738 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000237657250 202320528 /nfs/dbraw/zinc/32/05/28/202320528.db2.gz ZZNCGPXKCPQNHU-KRWDZBQOSA-N -1 0 313.357 1.868 50 0 DDAARM Cc1cccc2[nH]cc(CC(=O)N3CCO[C@@H](CC(=O)[O-])C3)c21 ZINC000237736475 202341925 /nfs/dbraw/zinc/34/19/25/202341925.db2.gz NKKVPRZSJOJWDC-ZDUSSCGKSA-N -1 0 316.357 1.721 50 0 DDAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000237749622 202345776 /nfs/dbraw/zinc/34/57/76/202345776.db2.gz QRDGIKCZBNFHQM-GFCCVEGCSA-N -1 0 318.308 1.404 50 0 DDAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000237905291 202386001 /nfs/dbraw/zinc/38/60/01/202386001.db2.gz WNVHAWWBCDRFLH-TUAOUCFPSA-N -1 0 309.387 1.862 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000238066559 202433824 /nfs/dbraw/zinc/43/38/24/202433824.db2.gz AILOSVSSSGKQCD-GXTWGEPZSA-N -1 0 316.357 1.653 50 0 DDAARM O=c1cc([O-])c2ccc(OC[C@@H](O)Cn3ccnc3)cc2o1 ZINC000006382928 181335886 /nfs/dbraw/zinc/33/58/86/181335886.db2.gz MXWWLYTXWFRTJB-JTQLQIEISA-N -1 0 302.286 1.135 50 0 DDAARM COCC[C@H](NC(=O)c1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000281624421 216428920 /nfs/dbraw/zinc/42/89/20/216428920.db2.gz FEIKDEDCHRKNCD-NSHDSACASA-N -1 0 309.318 1.067 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000262932989 304113469 /nfs/dbraw/zinc/11/34/69/304113469.db2.gz XYZNLGYXFTVEJN-GJZGRUSLSA-N -1 0 319.357 1.934 50 0 DDAARM COCCC(=O)N1C[C@@H](c2cccc(OC)c2)[C@H](C(=O)[O-])C1 ZINC000091548577 193073008 /nfs/dbraw/zinc/07/30/08/193073008.db2.gz UZQIWFSTFYVIDX-UONOGXRCSA-N -1 0 307.346 1.358 50 0 DDAARM CCC[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C(=O)[O-] ZINC000091595837 193077966 /nfs/dbraw/zinc/07/79/66/193077966.db2.gz PZHQGNDJPOOUBO-ZYHUDNBSSA-N -1 0 305.378 1.861 50 0 DDAARM CCc1n[nH]cc1C(=O)N1CCC[C@@](CCOC)(C(=O)[O-])C1 ZINC000091650650 193084610 /nfs/dbraw/zinc/08/46/10/193084610.db2.gz FLIPXOCDEDJLRA-HNNXBMFYSA-N -1 0 309.366 1.316 50 0 DDAARM COc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1Cl ZINC000007327634 181455227 /nfs/dbraw/zinc/45/52/27/181455227.db2.gz VDPUAXNBXPWJCH-UHFFFAOYSA-N -1 0 323.736 1.227 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000238051301 304178562 /nfs/dbraw/zinc/17/85/62/304178562.db2.gz QFECHOJNFPFFSG-CYBMUJFWSA-N -1 0 300.318 1.347 50 0 DDAARM C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])C1 ZINC000020018913 182179216 /nfs/dbraw/zinc/17/92/16/182179216.db2.gz WWZGUDTZGYXSIZ-SECBINFHSA-N -1 0 316.354 1.913 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000238049145 304179577 /nfs/dbraw/zinc/17/95/77/304179577.db2.gz ZAGNJVAPQIKRFS-LLVKDONJSA-N -1 0 301.302 1.002 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000021518759 182278068 /nfs/dbraw/zinc/27/80/68/182278068.db2.gz NCIOBLYUKPOOPQ-ZDUSSCGKSA-N -1 0 313.375 1.667 50 0 DDAARM CCCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675349 193834205 /nfs/dbraw/zinc/83/42/05/193834205.db2.gz XEZJNCWVEYQQOZ-LLVKDONJSA-N -1 0 301.306 1.445 50 0 DDAARM CC(C)NC(=O)C1CCN(c2nc3[n-]cnc(=O)c3s2)CC1 ZINC000040478774 183075974 /nfs/dbraw/zinc/07/59/74/183075974.db2.gz DVDXMSCTPVTWDK-UHFFFAOYSA-N -1 0 321.406 1.121 50 0 DDAARM CC(C)c1cc(C(=O)[N-]S(C)(=O)=O)c2cnn(C(C)C)c2n1 ZINC000042278847 183249950 /nfs/dbraw/zinc/24/99/50/183249950.db2.gz AQPXMFQNCRILSO-UHFFFAOYSA-N -1 0 324.406 1.825 50 0 DDAARM O=C([O-])c1n[nH]cc1[C@@H]1CC(=O)Nc2n[nH]c(-c3cccnc3)c21 ZINC000067446775 304216503 /nfs/dbraw/zinc/21/65/03/304216503.db2.gz BGHWGBRRPOQAEE-QMMMGPOBSA-N -1 0 324.300 1.367 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000268926636 207092843 /nfs/dbraw/zinc/09/28/43/207092843.db2.gz WKZVHECMIZEXCY-MCIONIFRSA-N -1 0 316.357 1.187 50 0 DDAARM CC(C)Oc1cccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268988064 207144995 /nfs/dbraw/zinc/14/49/95/207144995.db2.gz QPWPONSHFFISHY-AWEZNQCLSA-N -1 0 307.346 1.328 50 0 DDAARM COc1ccc(CCCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000268997469 207154762 /nfs/dbraw/zinc/15/47/62/207154762.db2.gz XECFUMUTWVMCQM-AWEZNQCLSA-N -1 0 307.346 1.330 50 0 DDAARM O=C1CCc2cc(S(=O)(=O)[N-]c3nccs3)ccc2N1 ZINC000060948711 184158510 /nfs/dbraw/zinc/15/85/10/184158510.db2.gz AYYJZRZWYZXCCF-UHFFFAOYSA-N -1 0 309.372 1.829 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C)C3=O)cc1 ZINC000065254651 184318821 /nfs/dbraw/zinc/31/88/21/184318821.db2.gz SMCVKHRKSQOFOB-UHFFFAOYSA-N -1 0 319.386 1.683 50 0 DDAARM CC(C)Cc1noc(CN(C)Cc2ncccc2C(=O)[O-])n1 ZINC000065459549 184348097 /nfs/dbraw/zinc/34/80/97/184348097.db2.gz NPVVDVFFHDKFPB-UHFFFAOYSA-N -1 0 304.350 1.993 50 0 DDAARM CCCN(CC(=O)NC)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118777784 194922796 /nfs/dbraw/zinc/92/27/96/194922796.db2.gz BCVGJWNAZBQQQE-UHFFFAOYSA-N -1 0 307.375 1.715 50 0 DDAARM CCN(C(=O)Cn1c(=O)c2ccccc2[n-]c1=S)C1CC1 ZINC000120347182 195148379 /nfs/dbraw/zinc/14/83/79/195148379.db2.gz HBIJPOJQSWFJTN-UHFFFAOYSA-N -1 0 303.387 1.696 50 0 DDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)c2cnn(C)c2)c1C ZINC000295180583 224508900 /nfs/dbraw/zinc/50/89/00/224508900.db2.gz INEFLXZKFPHENB-UHFFFAOYSA-N -1 0 323.374 1.560 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000069628437 184828140 /nfs/dbraw/zinc/82/81/40/184828140.db2.gz RCMSONRCGLEUEM-VXGBXAGGSA-N -1 0 300.314 1.536 50 0 DDAARM CCOC(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000000080578 406618291 /nfs/dbraw/zinc/61/82/91/406618291.db2.gz OBYAPZNXTSYATC-UHFFFAOYSA-N -1 0 308.319 1.016 50 0 DDAARM Cc1cc(NN)nc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000000270493 406636746 /nfs/dbraw/zinc/63/67/46/406636746.db2.gz YJEPXNBEFVZZQI-UHFFFAOYSA-N -1 0 313.770 1.525 50 0 DDAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)OCCc1ccccc1 ZINC000002212111 406684827 /nfs/dbraw/zinc/68/48/27/406684827.db2.gz MDBZPIOJVFHPOL-OAHLLOKOSA-N -1 0 317.341 1.998 50 0 DDAARM CC(C)NC(=O)C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000000424890 406646728 /nfs/dbraw/zinc/64/67/28/406646728.db2.gz RRUUHFFBGKDKHZ-LLVKDONJSA-N -1 0 316.386 1.269 50 0 DDAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)n(Cc3ccncc3)c(=O)c12 ZINC000008741163 406796010 /nfs/dbraw/zinc/79/60/10/406796010.db2.gz LJSWUEIKHVXTKC-UHFFFAOYSA-N -1 0 317.326 1.614 50 0 DDAARM COc1cc2c(cc1OC)CN(C(=O)NCCC(=O)[O-])CC2 ZINC000008879315 406797277 /nfs/dbraw/zinc/79/72/77/406797277.db2.gz MWNCBAJQKSXHQO-UHFFFAOYSA-N -1 0 308.334 1.246 50 0 DDAARM Cc1cccc(N2CCN(C(=O)CSCC(=O)[O-])CC2)c1C ZINC000013321128 406861535 /nfs/dbraw/zinc/86/15/35/406861535.db2.gz SDZHFAIESAGFKH-UHFFFAOYSA-N -1 0 322.430 1.770 50 0 DDAARM CCOC(=O)[C@H](C)Sc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000013629471 406864753 /nfs/dbraw/zinc/86/47/53/406864753.db2.gz JVLOTJZNQWUAMY-YFKPBYRVSA-N -1 0 300.361 1.734 50 0 DDAARM COCCNC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000012406095 406843750 /nfs/dbraw/zinc/84/37/50/406843750.db2.gz XPFRTWDLMMWCSJ-UHFFFAOYSA-N -1 0 308.334 1.256 50 0 DDAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2ccccc21 ZINC000036358392 406979013 /nfs/dbraw/zinc/97/90/13/406979013.db2.gz BJYFTKWJWBOWIZ-HNNXBMFYSA-N -1 0 302.330 1.947 50 0 DDAARM COc1cc2c(cc(C(=O)N[C@@H](C)C(=O)[O-])n2C)c(OC)c1 ZINC000033578353 406963296 /nfs/dbraw/zinc/96/32/96/406963296.db2.gz XUXQFRNOOXWRBX-QMMMGPOBSA-N -1 0 306.318 1.398 50 0 DDAARM O=S(=O)([N-]c1ncn(Cc2ccccn2)n1)c1ccccc1 ZINC000078556790 407034512 /nfs/dbraw/zinc/03/45/12/407034512.db2.gz ZWKRXHSKNICMSP-UHFFFAOYSA-N -1 0 315.358 1.522 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc(F)cc1Cl ZINC000037410438 406988751 /nfs/dbraw/zinc/98/87/51/406988751.db2.gz IQLRCINIUSXVDM-JTQLQIEISA-N -1 0 301.701 1.934 50 0 DDAARM CC(C)n1cnnc1S([O-])=CC(=O)NCc1ccc(F)cc1 ZINC000086321931 407110167 /nfs/dbraw/zinc/11/01/67/407110167.db2.gz SCAXFEGAXDNBGV-JOCHJYFZSA-N -1 0 324.381 1.422 50 0 DDAARM CCc1nc(S([O-])=CC(=O)N(C)[C@H]2CCCC[C@@H]2C)n[nH]1 ZINC000095966751 407218731 /nfs/dbraw/zinc/21/87/31/407218731.db2.gz UZYJTSSALNLXRD-ZPMVXHMNSA-N -1 0 312.439 1.512 50 0 DDAARM CS(=O)(=O)c1ccc2nc(N3CC(C(=O)[O-])C3)sc2c1 ZINC000061957915 407230587 /nfs/dbraw/zinc/23/05/87/407230587.db2.gz OQEIVGRFCPQVDW-UHFFFAOYSA-N -1 0 312.372 1.221 50 0 DDAARM Cc1n[nH]c(C)c1Cc1nc(-c2ccco2)nn1CC(=O)[O-] ZINC000097600935 407300283 /nfs/dbraw/zinc/30/02/83/407300283.db2.gz SGSXFSKFLHFRAA-UHFFFAOYSA-N -1 0 301.306 1.553 50 0 DDAARM Cc1nnc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)s1 ZINC000100512665 407307960 /nfs/dbraw/zinc/30/79/60/407307960.db2.gz XMZDZVPLCRGJKD-UHFFFAOYSA-N -1 0 316.342 1.656 50 0 DDAARM Cc1cc(NS(=O)(=O)N(C)C)ccc1-n1cccc1C(=O)[O-] ZINC000112689647 407435704 /nfs/dbraw/zinc/43/57/04/407435704.db2.gz ZQRGJHKCQOIWQJ-UHFFFAOYSA-N -1 0 323.374 1.702 50 0 DDAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cnc2ccsc2c1 ZINC000261696927 407583742 /nfs/dbraw/zinc/58/37/42/407583742.db2.gz NOLUBZGCXGUIDJ-SSDOTTSWSA-N -1 0 300.361 1.390 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 ZINC000226087421 407614738 /nfs/dbraw/zinc/61/47/38/407614738.db2.gz HEIXBZUZSLMREI-UHFFFAOYSA-N -1 0 311.403 1.746 50 0 DDAARM Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(=O)[nH]1 ZINC000237619838 407833139 /nfs/dbraw/zinc/83/31/39/407833139.db2.gz FULMVFALCAPEAG-CQSZACIVSA-N -1 0 312.325 1.335 50 0 DDAARM O=C([O-])C1(NC(=O)c2cn(-c3ccccc3Cl)nn2)CC1 ZINC000237990829 407862860 /nfs/dbraw/zinc/86/28/60/407862860.db2.gz RAFPLKDBJCZGLA-UHFFFAOYSA-N -1 0 306.709 1.268 50 0 DDAARM O=C([O-])CCN(C(=O)c1cc(C2CC2)n[nH]1)C1CCOCC1 ZINC000238076724 407884567 /nfs/dbraw/zinc/88/45/67/407884567.db2.gz AGHYKPKPUHGBLQ-UHFFFAOYSA-N -1 0 307.350 1.383 50 0 DDAARM Cc1ncsc1C(=O)N[C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263133762 408034754 /nfs/dbraw/zinc/03/47/54/408034754.db2.gz SYARXVGQIBYKAI-GFCCVEGCSA-N -1 0 318.354 1.942 50 0 DDAARM COc1c(C)cc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1C ZINC000263259121 408079919 /nfs/dbraw/zinc/07/99/19/408079919.db2.gz JFYQGSFPMJNAFU-GXTWGEPZSA-N -1 0 321.373 1.922 50 0 DDAARM COCc1c(C(=O)N[C@@H](C)C(=O)[O-])cnn1-c1ccccc1 ZINC000263462222 408147399 /nfs/dbraw/zinc/14/73/99/408147399.db2.gz VWCZAAYUBSAPAO-JTQLQIEISA-N -1 0 303.318 1.222 50 0 DDAARM Cc1nc([C@H](NC(=O)[C@H](C)C(=O)[O-])c2ccc(Cl)cc2)no1 ZINC000263560815 408175694 /nfs/dbraw/zinc/17/56/94/408175694.db2.gz RIEZCHHYDYIDAY-WRWORJQWSA-N -1 0 323.736 1.958 50 0 DDAARM CC[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2C)n1)C(=O)[O-] ZINC000190910044 408340522 /nfs/dbraw/zinc/34/05/22/408340522.db2.gz KFVFOLLSPHLORD-LLVKDONJSA-N -1 0 305.309 1.913 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000263374445 163958551 /nfs/dbraw/zinc/95/85/51/163958551.db2.gz ZXOWTGCLTNXFSE-CABCVRRESA-N -1 0 319.357 1.506 50 0 DDAARM Cn1c2ccccc2cc(C(=O)NC2(C(=O)[O-])CCCC2)c1=O ZINC000299760835 410610880 /nfs/dbraw/zinc/61/08/80/410610880.db2.gz KHANJKBNBXWAEG-UHFFFAOYSA-N -1 0 314.341 1.666 50 0 DDAARM O=C([O-])c1csc(CCNc2cc([C@H]3CCOC3)ncn2)n1 ZINC000299791407 410629976 /nfs/dbraw/zinc/62/99/76/410629976.db2.gz FMRPKVXGPQAFIZ-VIFPVBQESA-N -1 0 320.374 1.790 50 0 DDAARM COc1cc(Cl)ccc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000129405786 196046114 /nfs/dbraw/zinc/04/61/14/196046114.db2.gz KYNNHIPJDDYTKV-JTQLQIEISA-N -1 0 313.737 1.664 50 0 DDAARM Cc1noc(C2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)n1 ZINC000046087467 418445386 /nfs/dbraw/zinc/44/53/86/418445386.db2.gz SWPUDMODKKJVHG-STQMWFEESA-N -1 0 319.361 1.751 50 0 DDAARM Cc1ccccc1C(=O)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102990104 418495705 /nfs/dbraw/zinc/49/57/05/418495705.db2.gz JLTNUQQRNUWMKX-UHFFFAOYSA-N -1 0 308.341 1.530 50 0 DDAARM NC(=O)CN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CCCC1 ZINC000118887283 418502139 /nfs/dbraw/zinc/50/21/39/418502139.db2.gz MZHBZOCBBOMFPV-UHFFFAOYSA-N -1 0 319.386 1.987 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCCC[C@H]1CCc1ccccn1 ZINC000426414766 419463017 /nfs/dbraw/zinc/46/30/17/419463017.db2.gz UAKHGDOUMLBXRH-ZDUSSCGKSA-N -1 0 315.377 1.462 50 0 DDAARM CSCC[C@H](NC(=O)Cc1cc(F)ccc1F)C(=O)[O-] ZINC000426566836 419509594 /nfs/dbraw/zinc/50/95/94/419509594.db2.gz FMBWPZIITRONLP-NSHDSACASA-N -1 0 303.330 1.830 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2)n[nH]1 ZINC000299743659 229381290 /nfs/dbraw/zinc/38/12/90/229381290.db2.gz OKXLKSKWRCZVOR-GFCCVEGCSA-N -1 0 300.318 1.327 50 0 DDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3ccncc32)C1 ZINC000630255992 421993574 /nfs/dbraw/zinc/99/35/74/421993574.db2.gz OFXVITLKJKZUKQ-MRXNPFEDSA-N -1 0 300.314 1.551 50 0 DDAARM O=C([O-])[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccccc1 ZINC000630446711 422108652 /nfs/dbraw/zinc/10/86/52/422108652.db2.gz UVHJMQBOZGHSMA-GHMZBOCLSA-N -1 0 319.329 1.777 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(=O)N(C)C)cc1C ZINC000585118827 422308131 /nfs/dbraw/zinc/30/81/31/422308131.db2.gz DGCPXLPZLILQLG-UHFFFAOYSA-N -1 0 322.390 1.529 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(C(F)F)cc1F ZINC000655540702 424554033 /nfs/dbraw/zinc/55/40/33/424554033.db2.gz JSBTYEUMVFOXHT-SNVBAGLBSA-N -1 0 303.236 1.689 50 0 DDAARM CCN(C)S(=O)(=O)Nc1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000342436654 271414925 /nfs/dbraw/zinc/41/49/25/271414925.db2.gz MEHZIUSEWFQVBD-SNVBAGLBSA-N -1 0 300.380 1.873 50 0 DDAARM CC1(C)C[C@H](NC(=O)C2(C(=O)[O-])CC2)c2cc(N)ccc2O1 ZINC000408521634 281338123 /nfs/dbraw/zinc/33/81/23/281338123.db2.gz FHZYJXPLRNGPKH-NSHDSACASA-N -1 0 304.346 1.852 50 0 DDAARM CN1c2ccc(S(=O)(=O)[N-]c3ccon3)cc2C(C)(C)C1=O ZINC000057280282 290319065 /nfs/dbraw/zinc/31/90/65/290319065.db2.gz KCOFWMCQPUDTJC-UHFFFAOYSA-N -1 0 321.358 1.729 50 0 DDAARM COc1cc([O-])c(Cl)c2c1C(=O)[C@]1(O2)C(=O)CC(=O)C[C@H]1C ZINC000100122099 295004211 /nfs/dbraw/zinc/00/42/11/295004211.db2.gz SXCNFUDOBRUGOV-NPMWZIQKSA-N -1 0 324.716 1.936 50 0 DDAARM COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000012382016 295146668 /nfs/dbraw/zinc/14/66/68/295146668.db2.gz TZOYTIBZVMZYKI-LLVKDONJSA-N -1 0 321.782 1.736 50 0 DDAARM C[C@H](CN(C)C(=O)c1cc(N2CCNC2=O)ccc1F)C(=O)[O-] ZINC000268922736 298496067 /nfs/dbraw/zinc/49/60/67/298496067.db2.gz CNFNTZQSIFHTTP-SECBINFHSA-N -1 0 323.324 1.148 50 0 DDAARM Cc1ccccc1[C@@H]1CN(C(=O)C2(C)COC2)C[C@H]1C(=O)[O-] ZINC000091932126 302153660 /nfs/dbraw/zinc/15/36/60/302153660.db2.gz YSJAXSWYRUHIBR-UONOGXRCSA-N -1 0 303.358 1.658 50 0 DDAARM CC1(c2nc(=NC(=O)[C@@H]3CCc4nccn4C3)s[n-]2)CC1 ZINC000529704851 303146004 /nfs/dbraw/zinc/14/60/04/303146004.db2.gz SPHJZSDIKVSADT-SECBINFHSA-N -1 0 303.391 1.409 50 0 DDAARM O=C([O-])c1ccc2c(c1)ncnc2NNC(=O)c1ccncc1 ZINC000071924151 490578935 /nfs/dbraw/zinc/57/89/35/490578935.db2.gz DVHGHBOMEFMJOF-UHFFFAOYSA-N -1 0 309.285 1.480 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CCO1 ZINC000299753046 534524893 /nfs/dbraw/zinc/52/48/93/534524893.db2.gz WQPCANWZHGRLHF-FZMZJTMJSA-N -1 0 305.330 1.255 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000034926327 535016146 /nfs/dbraw/zinc/01/61/46/535016146.db2.gz JNDLTSPAFDKPHR-ZIAGYGMSSA-N -1 0 320.364 1.831 50 0 DDAARM O=c1[nH][nH]c(=O)c2c([N-]S(=O)(=O)c3ccccc3)cccc12 ZINC000001077315 696005488 /nfs/dbraw/zinc/00/54/88/696005488.db2.gz RGFZMJMCTDBGBG-UHFFFAOYSA-N -1 0 317.326 1.430 50 0 DDAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000020548143 696070999 /nfs/dbraw/zinc/07/09/99/696070999.db2.gz LYQQRTBHFOAYER-NXEZZACHSA-N -1 0 313.375 1.757 50 0 DDAARM COc1ccc(CNC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000169785281 697345746 /nfs/dbraw/zinc/34/57/46/697345746.db2.gz HZIILXANHZPFIX-LBPRGKRZSA-N -1 0 316.365 1.298 50 0 DDAARM Cn1nc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000263236387 698497317 /nfs/dbraw/zinc/49/73/17/698497317.db2.gz RDBJCPPNGYKTSK-NSHDSACASA-N -1 0 301.346 1.439 50 0 DDAARM CC(C)C[C@@H](NS(=O)(=O)c1c[nH]c2ccccc21)C(=O)[O-] ZINC000952851305 775579484 /nfs/dbraw/zinc/57/94/84/775579484.db2.gz HXSWXGYNMRGBQK-GFCCVEGCSA-N -1 0 310.375 1.946 50 0 DDAARM Cc1nnc2n1C[C@@H](C(=O)[O-])N(C(=O)OC1CCCCC1)C2 ZINC000952880166 775632327 /nfs/dbraw/zinc/63/23/27/775632327.db2.gz NIAAAIRWYXXPMI-NSHDSACASA-N -1 0 308.338 1.325 50 0 DDAARM CC(C)N(C(=O)CS(=O)(=O)c1ncc[n-]1)c1ccccc1 ZINC000078818770 185114681 /nfs/dbraw/zinc/11/46/81/185114681.db2.gz PFAHACZRFUBQRY-UHFFFAOYSA-N -1 0 307.375 1.625 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000088373398 185247194 /nfs/dbraw/zinc/24/71/94/185247194.db2.gz ZHVXACQSLYWJKF-JTQLQIEISA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(-c2ccsc2)n1 ZINC000088374754 185247504 /nfs/dbraw/zinc/24/75/04/185247504.db2.gz LBWJFZRHBJTVRJ-SNVBAGLBSA-N -1 0 324.383 1.797 50 0 DDAARM COCc1ccsc1C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262723832 539275831 /nfs/dbraw/zinc/27/58/31/539275831.db2.gz FVEFVDIQEKFNJM-KOLCDFICSA-N -1 0 313.375 1.504 50 0 DDAARM O=C([O-])CCNC(=O)C1CCC(NC(=O)C2CCCC2)CC1 ZINC000095424247 185361356 /nfs/dbraw/zinc/36/13/56/185361356.db2.gz KEYKUIWOHDXWMP-UHFFFAOYSA-N -1 0 310.394 1.443 50 0 DDAARM COc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1OC(F)F ZINC000095424478 185361504 /nfs/dbraw/zinc/36/15/04/185361504.db2.gz RYBSEWKAZJEYIE-UHFFFAOYSA-N -1 0 315.272 1.986 50 0 DDAARM COc1ccc2cccc(CC(=O)NCc3n[nH]c(=O)[n-]3)c2c1 ZINC000095436102 185364833 /nfs/dbraw/zinc/36/48/33/185364833.db2.gz UZSGYPNXHJOHBL-UHFFFAOYSA-N -1 0 312.329 1.119 50 0 DDAARM O=C([O-])C1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCCCC1 ZINC000084543880 192438528 /nfs/dbraw/zinc/43/85/28/192438528.db2.gz HNCNRJNYSVISQM-CYBMUJFWSA-N -1 0 322.405 1.539 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cnc(C)cn2)(C(=O)[O-])C1(C)C ZINC000262850707 186313112 /nfs/dbraw/zinc/31/31/12/186313112.db2.gz WUHONENNYALLRO-ABAIWWIYSA-N -1 0 307.350 1.173 50 0 DDAARM C[C@H]1CN(C(=O)Cn2ncc3ccccc32)CC[C@H]1C(=O)[O-] ZINC000262860419 186314848 /nfs/dbraw/zinc/31/48/48/186314848.db2.gz FIDBHOKXPABSHF-WCQYABFASA-N -1 0 301.346 1.606 50 0 DDAARM O=c1c2nccnc2[nH]c(=S)n1Cc1ccc2c(c1)OCO2 ZINC000020131805 352169573 /nfs/dbraw/zinc/16/95/73/352169573.db2.gz HQGGKVKQSRVJRS-UHFFFAOYSA-N -1 0 314.326 1.252 50 0 DDAARM COC(=O)c1ccc([C@@H](CC(N)=O)[N-]C(=O)C(F)(F)F)cc1 ZINC000003883817 181052189 /nfs/dbraw/zinc/05/21/89/181052189.db2.gz SHFZCZSEFVTBMS-SECBINFHSA-N -1 0 318.251 1.068 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(N)=S)cc2)no1 ZINC000003998459 181060756 /nfs/dbraw/zinc/06/07/56/181060756.db2.gz ZJFDEHIIFOMQEB-UHFFFAOYSA-N -1 0 312.376 1.439 50 0 DDAARM COc1cc(CN[C@@H](C)c2ncnn2C)ccc1OCC(=O)[O-] ZINC000584900538 354799883 /nfs/dbraw/zinc/79/98/83/354799883.db2.gz IJHPWGZOKURDID-JTQLQIEISA-N -1 0 320.349 1.138 50 0 DDAARM O=C([O-])C[S@@](=O)CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000005248918 181221355 /nfs/dbraw/zinc/22/13/55/181221355.db2.gz SNCSZHAKDUJMGZ-OAQYLSRUSA-N -1 0 323.292 1.155 50 0 DDAARM Cc1n[n-]c(SCC(=O)Nc2ccccc2Cl)nc1=O ZINC000005640581 181267180 /nfs/dbraw/zinc/26/71/80/181267180.db2.gz OMYTZBCUOYKWEY-UHFFFAOYSA-N -1 0 310.766 1.858 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1cc(N2CCCC2=O)ccc1F ZINC000237022244 202125756 /nfs/dbraw/zinc/12/57/56/202125756.db2.gz VOKRFSCSSTZQMM-UHFFFAOYSA-N -1 0 322.336 1.889 50 0 DDAARM COc1ccccc1CN(C)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237157312 202169680 /nfs/dbraw/zinc/16/96/80/202169680.db2.gz DQVOIFRNZDNOEG-CYBMUJFWSA-N -1 0 306.362 1.203 50 0 DDAARM CCc1ccc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000237153787 202169304 /nfs/dbraw/zinc/16/93/04/202169304.db2.gz QWLPWRMJPKNGRE-UHFFFAOYSA-N -1 0 305.374 1.884 50 0 DDAARM CN(CCC(=O)[O-])C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000237221871 202193089 /nfs/dbraw/zinc/19/30/89/202193089.db2.gz HSFOOKXNGMJDIX-UHFFFAOYSA-N -1 0 304.346 1.289 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccccc3)CCC2)CCO1 ZINC000238195318 304077003 /nfs/dbraw/zinc/07/70/03/304077003.db2.gz ALQTZKXOPKTZBR-CQSZACIVSA-N -1 0 303.358 1.810 50 0 DDAARM C[C@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237548641 202279901 /nfs/dbraw/zinc/27/99/01/202279901.db2.gz QIBLDOWGXHVLGA-MJBXVCDLSA-N -1 0 312.410 1.247 50 0 DDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237565426 202284619 /nfs/dbraw/zinc/28/46/19/202284619.db2.gz FDNHCRLZTKRNNL-MRVPVSSYSA-N -1 0 302.252 1.956 50 0 DDAARM C[C@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237567023 202286919 /nfs/dbraw/zinc/28/69/19/202286919.db2.gz QIBLDOWGXHVLGA-BFHYXJOUSA-N -1 0 312.410 1.247 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237682349 202327356 /nfs/dbraw/zinc/32/73/56/202327356.db2.gz JPNYQGSUQGQNCN-QEJZJMRPSA-N -1 0 319.405 1.824 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000237689717 202329169 /nfs/dbraw/zinc/32/91/69/202329169.db2.gz BPWUZPZYJQZZEQ-INIZCTEOSA-N -1 0 315.373 1.912 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)nn2)cc1 ZINC000237829518 202364608 /nfs/dbraw/zinc/36/46/08/202364608.db2.gz LCZUPQWYXOBLSI-MRXNPFEDSA-N -1 0 314.345 1.513 50 0 DDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237790440 202356144 /nfs/dbraw/zinc/35/61/44/202356144.db2.gz ZIVMAKIEFJGQLQ-QJPTWQEYSA-N -1 0 309.387 1.862 50 0 DDAARM Cc1ccc2cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c(C)nc2c1 ZINC000237888601 202381420 /nfs/dbraw/zinc/38/14/20/202381420.db2.gz HZDNENAEIJYIDY-OAHLLOKOSA-N -1 0 314.341 1.777 50 0 DDAARM O=C([O-])Cn1nnnc1C1(NCc2ccccc2)CCCCC1 ZINC000019093516 304091566 /nfs/dbraw/zinc/09/15/66/304091566.db2.gz GJKBWWNNNBCCQL-UHFFFAOYSA-N -1 0 315.377 1.707 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3ccnn3)cc2)C1 ZINC000271904769 209312335 /nfs/dbraw/zinc/31/23/35/209312335.db2.gz MLMPDUMIPUNMTK-HNNXBMFYSA-N -1 0 300.318 1.204 50 0 DDAARM CCN1C[C@@H](C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)CC1=O ZINC000193458002 201055813 /nfs/dbraw/zinc/05/58/13/201055813.db2.gz YZEGVLDXKOHGLY-UONOGXRCSA-N -1 0 318.373 1.577 50 0 DDAARM CCn1ncc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1C ZINC000006706431 181374762 /nfs/dbraw/zinc/37/47/62/181374762.db2.gz KXXTWIUZHXCMDO-UHFFFAOYSA-N -1 0 323.374 1.783 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)cn1C ZINC000006777746 181386642 /nfs/dbraw/zinc/38/66/42/181386642.db2.gz UJJCDIDPEDPWRQ-UHFFFAOYSA-N -1 0 308.359 1.921 50 0 DDAARM Cc1nc(N[C@H](c2cnn(C)c2)[C@H]2C[C@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000222841179 201625184 /nfs/dbraw/zinc/62/51/84/201625184.db2.gz JVIUOOVAQGKTIY-XRNSZHNASA-N -1 0 323.784 1.802 50 0 DDAARM Cc1c(CS(C)(=O)=O)cccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262351977 203270835 /nfs/dbraw/zinc/27/08/35/203270835.db2.gz BNCTXADBQVXKJH-QWRGUYRKSA-N -1 0 311.359 1.199 50 0 DDAARM CC[C@@](C)(NC(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)[O-] ZINC000094218581 193349992 /nfs/dbraw/zinc/34/99/92/193349992.db2.gz PQKFGZAHHXRQJT-CQSZACIVSA-N -1 0 313.375 1.214 50 0 DDAARM COc1cc(NC(=O)c2cc(C)on2)c(C(=O)[O-])cc1OC ZINC000008267006 181541399 /nfs/dbraw/zinc/54/13/99/181541399.db2.gz ZZGOKTVMLXRYOO-UHFFFAOYSA-N -1 0 306.274 1.951 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2ccc3c(c2)CCC3)C1 ZINC000013170718 181836761 /nfs/dbraw/zinc/83/67/61/181836761.db2.gz WXUFRYLAZYBVSN-CQSZACIVSA-N -1 0 303.358 1.877 50 0 DDAARM CCOc1ccc2nc(NC(=O)COCC(=O)[O-])sc2c1 ZINC000017032087 182069786 /nfs/dbraw/zinc/06/97/86/182069786.db2.gz BCPYWOJHEBTEBR-UHFFFAOYSA-N -1 0 310.331 1.735 50 0 DDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc2cccnc21 ZINC000002929269 304187995 /nfs/dbraw/zinc/18/79/95/304187995.db2.gz AFQOHCPIHVZWGB-LLVKDONJSA-N -1 0 306.343 1.473 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000268967769 304199634 /nfs/dbraw/zinc/19/96/34/304199634.db2.gz FDPDVTUJSRRXES-LLVKDONJSA-N -1 0 317.263 1.560 50 0 DDAARM Cc1cc(=O)n2nc(NC(=O)c3cccc(Cl)c3)[n-]c2n1 ZINC000101809722 291657936 /nfs/dbraw/zinc/65/79/36/291657936.db2.gz WBJNAJKAUMUOCH-UHFFFAOYSA-N -1 0 303.709 1.632 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[C@H]2C)cc1OC ZINC000039707353 183021649 /nfs/dbraw/zinc/02/16/49/183021649.db2.gz FSNWQCIXSAIILV-JLLWLGSASA-N -1 0 307.346 1.992 50 0 DDAARM CCCNC(=O)[C@@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000040478781 183076184 /nfs/dbraw/zinc/07/61/84/183076184.db2.gz IDZGYGIZYKUOSV-SECBINFHSA-N -1 0 321.406 1.122 50 0 DDAARM C[C@H](Oc1ccc(Br)cc1)C(=O)[N-]S(C)(=O)=O ZINC000042280309 183250012 /nfs/dbraw/zinc/25/00/12/183250012.db2.gz JSMSYCQWLYTQAI-ZETCQYMHSA-N -1 0 322.180 1.292 50 0 DDAARM C[C@H](Oc1cccc(F)c1)C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043510129 183368762 /nfs/dbraw/zinc/36/87/62/183368762.db2.gz GNKNNGJYNGHCSO-XPTSAGLGSA-N -1 0 313.350 1.670 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000043700318 183381857 /nfs/dbraw/zinc/38/18/57/183381857.db2.gz JDSNXZIRLWJUCF-JTQLQIEISA-N -1 0 303.236 1.631 50 0 DDAARM O=C([O-])c1n[nH]cc1[C@H]1CC(=O)Nc2n[nH]c(C3CCC3)c21 ZINC000067473021 304216401 /nfs/dbraw/zinc/21/64/01/304216401.db2.gz ZZDXBUHNYVACIH-SSDOTTSWSA-N -1 0 301.306 1.573 50 0 DDAARM Cn1cc(CCC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000110568595 194339019 /nfs/dbraw/zinc/33/90/19/194339019.db2.gz JCSPFTKWVWFTFV-IHRRRGAJSA-N -1 0 305.378 1.597 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000268911268 207079706 /nfs/dbraw/zinc/07/97/06/207079706.db2.gz NIRSEFWJQINJSC-QWRGUYRKSA-N -1 0 317.263 1.965 50 0 DDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000268943962 207107193 /nfs/dbraw/zinc/10/71/93/207107193.db2.gz UNFGGKIHZKUGML-WFASDCNBSA-N -1 0 321.373 1.927 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@H]1CCc2ccccc2C1 ZINC000268995111 207152095 /nfs/dbraw/zinc/15/20/95/207152095.db2.gz VNMKHVXDPAIZQE-WFASDCNBSA-N -1 0 303.358 1.494 50 0 DDAARM COc1ccc(CCCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000268997474 207153285 /nfs/dbraw/zinc/15/32/85/207153285.db2.gz XECFUMUTWVMCQM-CQSZACIVSA-N -1 0 307.346 1.330 50 0 DDAARM COc1cc2cc(C(=O)N[C@H](C)C(=O)[O-])[nH]c2c(OC)c1OC ZINC000067602178 184473928 /nfs/dbraw/zinc/47/39/28/184473928.db2.gz NBDMGSBNSMTCCQ-SSDOTTSWSA-N -1 0 322.317 1.397 50 0 DDAARM COC[C@H](C)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000069378308 184510944 /nfs/dbraw/zinc/51/09/44/184510944.db2.gz QCOMEHNIZIOKEP-QMMMGPOBSA-N -1 0 320.798 1.476 50 0 DDAARM CC(C)c1nn(C)c(Cl)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000236834849 257239715 /nfs/dbraw/zinc/23/97/15/257239715.db2.gz YIDZJRTXZMPOFA-QMMMGPOBSA-N -1 0 315.757 1.123 50 0 DDAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]C3CCCCC3)nc2n1 ZINC000000110912 406620807 /nfs/dbraw/zinc/62/08/07/406620807.db2.gz FJAVUUDZKAUOOH-UHFFFAOYSA-N -1 0 309.395 1.352 50 0 DDAARM O=C([O-])c1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000000157190 406625630 /nfs/dbraw/zinc/62/56/30/406625630.db2.gz WGPKTSLFOQFARM-NSHDSACASA-N -1 0 313.309 1.955 50 0 DDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000002636095 406693772 /nfs/dbraw/zinc/69/37/72/406693772.db2.gz MFQDXYAFOXRWDU-UHFFFAOYSA-N -1 0 306.343 1.595 50 0 DDAARM CCCOc1ccc(N2C(=O)[N-]C(=O)C2=O)cc1OCCC ZINC000002653962 406694514 /nfs/dbraw/zinc/69/45/14/406694514.db2.gz PESMTNZGLIICRW-UHFFFAOYSA-N -1 0 306.318 1.847 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)no1 ZINC000007422981 406757379 /nfs/dbraw/zinc/75/73/79/406757379.db2.gz SMXYWVZCMCKLRJ-UHFFFAOYSA-N -1 0 307.331 1.669 50 0 DDAARM COc1cc(OC)cc(C(=O)N[C@H](CCSC)C(=O)[O-])c1 ZINC000008274294 406783687 /nfs/dbraw/zinc/78/36/87/406783687.db2.gz ZDINCSSCZSUAJU-GFCCVEGCSA-N -1 0 313.375 1.640 50 0 DDAARM COc1cccc(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)c1 ZINC000008607793 406789320 /nfs/dbraw/zinc/78/93/20/406789320.db2.gz MIPWRBTXXNBMSH-UHFFFAOYSA-N -1 0 316.357 1.899 50 0 DDAARM COCCNC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000013034369 406858561 /nfs/dbraw/zinc/85/85/61/406858561.db2.gz UFKNXARXBWMBCS-UHFFFAOYSA-N -1 0 303.314 1.679 50 0 DDAARM CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170973 406859135 /nfs/dbraw/zinc/85/91/35/406859135.db2.gz QMEZISSVZNZBIY-SNVBAGLBSA-N -1 0 311.359 1.027 50 0 DDAARM CCOC(=O)[C@@H](C)Sc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000013629469 406864248 /nfs/dbraw/zinc/86/42/48/406864248.db2.gz JVLOTJZNQWUAMY-RXMQYKEDSA-N -1 0 300.361 1.734 50 0 DDAARM Cc1cc(N)n(-c2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)n1 ZINC000026421883 406904785 /nfs/dbraw/zinc/90/47/85/406904785.db2.gz RDWVGUYMWFBMAK-UHFFFAOYSA-N -1 0 307.317 1.597 50 0 DDAARM O=c1ccc(OCc2n[n-]c(=S)o2)nn1-c1ccccc1 ZINC000012338663 406842222 /nfs/dbraw/zinc/84/22/22/406842222.db2.gz QFXOECONEBXFSQ-UHFFFAOYSA-N -1 0 302.315 1.483 50 0 DDAARM O=C([N-]N1CC(=O)NC1=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000029019930 406920853 /nfs/dbraw/zinc/92/08/53/406920853.db2.gz PSHKDQMMLILCQT-UHFFFAOYSA-N -1 0 320.692 1.192 50 0 DDAARM Nc1c(C(=O)[O-])nnn1-c1ccc(NC(=O)c2ccco2)cc1 ZINC000033435968 406961825 /nfs/dbraw/zinc/96/18/25/406961825.db2.gz DQSWNXXFXNJOLU-UHFFFAOYSA-N -1 0 313.273 1.393 50 0 DDAARM CCC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1)C(=O)[O-] ZINC000036838195 406983878 /nfs/dbraw/zinc/98/38/78/406983878.db2.gz IVYGAYFMZLYYGH-SNVBAGLBSA-N -1 0 321.782 1.880 50 0 DDAARM COc1cccc([N-]S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000049408271 407120277 /nfs/dbraw/zinc/12/02/77/407120277.db2.gz DPUCJFTZESTIAL-UHFFFAOYSA-N -1 0 304.331 1.539 50 0 DDAARM CCn1ccnc1CN(C)[C@@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095365260 407210013 /nfs/dbraw/zinc/21/00/13/407210013.db2.gz XRWABCNVIPZNIZ-OAHLLOKOSA-N -1 0 303.362 1.653 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1cccnc1 ZINC000122393064 407299938 /nfs/dbraw/zinc/29/99/38/407299938.db2.gz YKQHYNAICXDHPC-MELADBBJSA-N -1 0 324.402 1.200 50 0 DDAARM O=C([O-])CN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc(F)cc1 ZINC000098052978 407305168 /nfs/dbraw/zinc/30/51/68/407305168.db2.gz BYDGXPDQWNDJDL-PODYEWJSSA-N -1 0 307.321 1.931 50 0 DDAARM Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647644 407464611 /nfs/dbraw/zinc/46/46/11/407464611.db2.gz JDVTVGXPURBWHF-VIFPVBQESA-N -1 0 318.358 1.358 50 0 DDAARM CCC[C@H](NC(=O)C[C@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000170656056 407465777 /nfs/dbraw/zinc/46/57/77/407465777.db2.gz RGPPKROOYARCPC-UONOGXRCSA-N -1 0 315.377 1.861 50 0 DDAARM O=C(CCSc1ccccc1)N1CC(N2C(=O)COC2=O)C1 ZINC000253472766 407450462 /nfs/dbraw/zinc/45/04/62/407450462.db2.gz PHQXWRKAWZRFSU-UHFFFAOYSA-N -1 0 320.370 1.358 50 0 DDAARM Cn1c(=O)oc2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc21 ZINC000170618705 407456729 /nfs/dbraw/zinc/45/67/29/407456729.db2.gz SLGBOJSQGMRIEI-UHFFFAOYSA-N -1 0 306.318 1.961 50 0 DDAARM O=C([O-])CN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000238161021 407896054 /nfs/dbraw/zinc/89/60/54/407896054.db2.gz CEKOKAPQEIZVPO-NSHDSACASA-N -1 0 300.152 1.907 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cnc(C)cn2)(C(=O)[O-])C1(C)C ZINC000262850713 407956561 /nfs/dbraw/zinc/95/65/61/407956561.db2.gz WUHONENNYALLRO-XHDPSFHLSA-N -1 0 307.350 1.173 50 0 DDAARM C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263048856 408011522 /nfs/dbraw/zinc/01/15/22/408011522.db2.gz QVJBBFAFVKGKTN-LLVKDONJSA-N -1 0 306.362 1.829 50 0 DDAARM Cc1ccc(C(N)=O)cc1NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263202259 408056345 /nfs/dbraw/zinc/05/63/45/408056345.db2.gz XMHYXQHWMQQIOJ-BXKDBHETSA-N -1 0 319.361 1.668 50 0 DDAARM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)[C@H]2CCOC2)c1 ZINC000263203292 408055994 /nfs/dbraw/zinc/05/59/94/408055994.db2.gz NZXSKPNQKOKZEY-ZBEGNZNMSA-N -1 0 307.346 1.538 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000263563792 408175017 /nfs/dbraw/zinc/17/50/17/408175017.db2.gz ULYBOMHRGWTXKK-KCJUWKMLSA-N -1 0 310.737 1.282 50 0 DDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H](c2ccc(F)cc2)O1 ZINC000268937162 408219595 /nfs/dbraw/zinc/21/95/95/408219595.db2.gz HBJIGJMPFATWHB-QQUHWDOBSA-N -1 0 307.321 1.835 50 0 DDAARM Cn1cc(-c2ncc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)s2)cn1 ZINC000136158171 162116505 /nfs/dbraw/zinc/11/65/05/162116505.db2.gz RPJQDZGFSVKZAA-SECBINFHSA-N -1 0 320.374 1.480 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cncc2ccccc21 ZINC000263240457 163936668 /nfs/dbraw/zinc/93/66/68/163936668.db2.gz CCVVITXNINUSHH-LBPRGKRZSA-N -1 0 300.314 1.551 50 0 DDAARM Cc1nc(C)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])nc1C ZINC000263578309 163988202 /nfs/dbraw/zinc/98/82/02/163988202.db2.gz SMVFCBPQXPFGBX-CQSZACIVSA-N -1 0 313.357 1.828 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000647744977 423028193 /nfs/dbraw/zinc/02/81/93/423028193.db2.gz NRBHNHMLHKEVOL-MNOVXSKESA-N -1 0 321.283 1.988 50 0 DDAARM O=C(NCCc1n[nH]c(=O)[n-]1)N1CCCC[C@H]1c1cccnc1 ZINC000426443186 419472600 /nfs/dbraw/zinc/47/26/00/419472600.db2.gz HXOWPKXDILHQLV-LBPRGKRZSA-N -1 0 316.365 1.385 50 0 DDAARM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000426705665 419534202 /nfs/dbraw/zinc/53/42/02/419534202.db2.gz JFSYXMFHDWLITL-UHFFFAOYSA-N -1 0 304.394 1.728 50 0 DDAARM O=C([O-])C1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000299743265 229381683 /nfs/dbraw/zinc/38/16/83/229381683.db2.gz MUGRSWQEKRQLRW-OTTFEQOBSA-N -1 0 322.405 1.537 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2COc3ccccc3O2)o1 ZINC000299743040 229379438 /nfs/dbraw/zinc/37/94/38/229379438.db2.gz LRWBTKQOOFMPLK-CYBMUJFWSA-N -1 0 303.270 1.434 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000299744739 229383670 /nfs/dbraw/zinc/38/36/70/229383670.db2.gz UUBBAYLUACAYKE-SNVBAGLBSA-N -1 0 320.320 1.499 50 0 DDAARM COc1cccc([C@H](NC(=O)[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)C(=O)[O-])c1 ZINC000630205663 421958987 /nfs/dbraw/zinc/95/89/87/421958987.db2.gz JZUFHFJCJQBDFE-HKWCOGSCSA-N -1 0 321.373 1.997 50 0 DDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc3n[nH]nc32)c1C ZINC000585118999 422307411 /nfs/dbraw/zinc/30/74/11/422307411.db2.gz MEGGZUXHMNWTJQ-UHFFFAOYSA-N -1 0 320.378 1.592 50 0 DDAARM COc1ccc2c(c1)[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])CCC2 ZINC000655541195 424554370 /nfs/dbraw/zinc/55/43/70/424554370.db2.gz YFQBFIYFBKNUOC-ZFWWWQNUSA-N -1 0 319.357 1.427 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000571526451 308197359 /nfs/dbraw/zinc/19/73/59/308197359.db2.gz UDVPMRUIWACGJL-JRPNMDOOSA-N -1 0 321.373 1.866 50 0 DDAARM COc1ccc(CN2CCN(CC(=O)[O-])C(=O)[C@H]2C)c(C)c1 ZINC000534629971 334305470 /nfs/dbraw/zinc/30/54/70/334305470.db2.gz CUDWUSNAEJENRX-GFCCVEGCSA-N -1 0 306.362 1.121 50 0 DDAARM Cc1noc(-c2ccc(N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)nc2)n1 ZINC000092077088 484015750 /nfs/dbraw/zinc/01/57/50/484015750.db2.gz UCELHLZVOCTDFY-QWHCGFSZSA-N -1 0 314.345 1.987 50 0 DDAARM Cc1cc(C)cc(N2CC[C@@H](C(=O)NCCC(=O)[O-])C2=O)c1 ZINC000299751513 534078395 /nfs/dbraw/zinc/07/83/95/534078395.db2.gz QUBDTQBDKFNUGS-ZDUSSCGKSA-N -1 0 304.346 1.247 50 0 DDAARM O=C(Nc1nnn[n-]1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000023543611 696084339 /nfs/dbraw/zinc/08/43/39/696084339.db2.gz CLNHQLHCVUFTSJ-UHFFFAOYSA-N -1 0 306.301 1.414 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1Cc1ccnn1-c1ccccc1 ZINC000072151298 696393398 /nfs/dbraw/zinc/39/33/98/696393398.db2.gz ZXKNHZLTLHJAFL-OAHLLOKOSA-N -1 0 301.346 1.548 50 0 DDAARM O=C([O-])[C@@H]1CCc2nn(CCOc3ccccc3)c(=O)n2CC1 ZINC000675014383 737519050 /nfs/dbraw/zinc/51/90/50/737519050.db2.gz ILWZKRRFARTMLP-GFCCVEGCSA-N -1 0 317.345 1.161 50 0 DDAARM CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000585131299 771964069 /nfs/dbraw/zinc/96/40/69/771964069.db2.gz RARVRPFRMXAXCT-GJZGRUSLSA-N -1 0 322.361 1.014 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2ccc(C)cc2)c(OC)n1 ZINC000585437387 773683159 /nfs/dbraw/zinc/68/31/59/773683159.db2.gz WYMFOXSTWTUQGN-UHFFFAOYSA-N -1 0 309.347 1.603 50 0 DDAARM CCN(CC)S(=O)(=O)c1ccc(Cl)c([S@@](=O)[O-])c1 ZINC000125989362 539181567 /nfs/dbraw/zinc/18/15/67/539181567.db2.gz XXQADPIYVMPVFU-UHFFFAOYSA-N -1 0 311.812 1.951 50 0 DDAARM CN1N=C(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)CCC1=O ZINC000095389920 185351065 /nfs/dbraw/zinc/35/10/65/185351065.db2.gz GVHUEFRQIFUICU-GFCCVEGCSA-N -1 0 321.308 1.066 50 0 DDAARM O=C([O-])c1ccc(C(=O)NCc2nc(-c3ccco3)n[nH]2)cc1 ZINC000095424362 185361535 /nfs/dbraw/zinc/36/15/35/185361535.db2.gz XDEIRBWTXGVLQV-UHFFFAOYSA-N -1 0 312.285 1.693 50 0 DDAARM CSCC[C@@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000071754959 191024517 /nfs/dbraw/zinc/02/45/17/191024517.db2.gz LHXBUJNLRXGPLP-GFCCVEGCSA-N -1 0 306.387 1.964 50 0 DDAARM O=c1[n-]c(S(=O)(=O)Cc2ncc(-c3ccccc3)o2)n[nH]1 ZINC000225683443 186288967 /nfs/dbraw/zinc/28/89/67/186288967.db2.gz JLJOIGXQGXAARA-UHFFFAOYSA-N -1 0 306.303 1.139 50 0 DDAARM O=S(=O)([N-][C@]1(C(F)(F)F)CCOC1)c1ccccc1F ZINC000253395121 186304022 /nfs/dbraw/zinc/30/40/22/186304022.db2.gz MPFWYXWUDPYKPK-SNVBAGLBSA-N -1 0 313.272 1.825 50 0 DDAARM COC(=O)C1=C([O-])c2sc(Cl)cc2S(=O)(=O)N1C ZINC000100018977 290926620 /nfs/dbraw/zinc/92/66/20/290926620.db2.gz HITUAYIBHWKKFU-UHFFFAOYSA-N -1 0 309.752 1.435 50 0 in-vitro DDAARM COc1ccc(F)c(F)c1CN1CCc2nc[nH]c2[C@H]1C(=O)[O-] ZINC000072454662 191171331 /nfs/dbraw/zinc/17/13/31/191171331.db2.gz OMMDSGXGFFFPRS-AWEZNQCLSA-N -1 0 323.299 1.881 50 0 DDAARM O=S(=O)(Cc1cccc(Br)c1)c1cnn[n-]1 ZINC000097233317 353918132 /nfs/dbraw/zinc/91/81/32/353918132.db2.gz VRVGUZJEKXENPQ-UHFFFAOYSA-N -1 0 302.153 1.541 50 0 DDAARM CCOc1cc(C(=O)[O-])ccc1OCC(=O)N1CCOCC1 ZINC000003886993 181053146 /nfs/dbraw/zinc/05/31/46/181053146.db2.gz SQSVKVRFAMTGKB-UHFFFAOYSA-N -1 0 309.318 1.021 50 0 DDAARM C[C@H](C(=O)[N-]S(=O)(=O)c1cccs1)N1CCCCCC1 ZINC000123580207 354033049 /nfs/dbraw/zinc/03/30/49/354033049.db2.gz FJSKXKZVBBYGSB-LLVKDONJSA-N -1 0 316.448 1.818 50 0 DDAARM O=C([O-])Cn1ncn(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000004037298 181065868 /nfs/dbraw/zinc/06/58/68/181065868.db2.gz DJUYWACTVDKDBU-UHFFFAOYSA-N -1 0 303.196 1.017 50 0 DDAARM COc1ccccc1N1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000004687713 181137066 /nfs/dbraw/zinc/13/70/66/181137066.db2.gz LHTOAUKSVAOOLZ-CYBMUJFWSA-N -1 0 320.389 1.845 50 0 DDAARM COc1cc(C(=O)NCCn2cnc(C(=O)[O-])c2)ccc1C ZINC000318518959 354516624 /nfs/dbraw/zinc/51/66/24/354516624.db2.gz HUWXQDBKGJBNBQ-UHFFFAOYSA-N -1 0 303.318 1.328 50 0 DDAARM Cc1cc(C(=O)[N-]S(=O)(=O)CC=C(Cl)Cl)nn1C ZINC000585136282 354812018 /nfs/dbraw/zinc/81/20/18/354812018.db2.gz ZUSJKLVXGWFWTA-UHFFFAOYSA-N -1 0 312.178 1.107 50 0 DDAARM COC(=O)c1cccc(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000005009489 181189742 /nfs/dbraw/zinc/18/97/42/181189742.db2.gz XQDLTCFHDQTECN-UHFFFAOYSA-N -1 0 320.330 1.095 50 0 DDAARM CCCCNC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000005523517 181252969 /nfs/dbraw/zinc/25/29/69/181252969.db2.gz FSTQPGANNIDOBS-UHFFFAOYSA-N -1 0 301.437 1.453 50 0 DDAARM Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000178276435 198840866 /nfs/dbraw/zinc/84/08/66/198840866.db2.gz XJTVKMQOJXVWKN-SNVBAGLBSA-N -1 0 304.306 1.073 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237717652 202336085 /nfs/dbraw/zinc/33/60/85/202336085.db2.gz XMMLOWAQVDZMNM-ZDUSSCGKSA-N -1 0 323.393 1.519 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)nn2)cc1 ZINC000237829641 202364793 /nfs/dbraw/zinc/36/47/93/202364793.db2.gz LCZUPQWYXOBLSI-INIZCTEOSA-N -1 0 314.345 1.513 50 0 DDAARM O=C([O-])[C@@H](NC(=O)c1ccccc1-n1cnnc1)c1ccccc1 ZINC000426359541 304096183 /nfs/dbraw/zinc/09/61/83/304096183.db2.gz COLAQVZMPKLDRG-HNNXBMFYSA-N -1 0 322.324 1.823 50 0 DDAARM Cc1cc(CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)no1 ZINC000195164224 201350333 /nfs/dbraw/zinc/35/03/33/201350333.db2.gz HPPMMLCFXYNUOJ-UHFFFAOYSA-N -1 0 324.387 1.727 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCC1(c2ccccc2)CC1 ZINC000262618310 304114156 /nfs/dbraw/zinc/11/41/56/304114156.db2.gz DHMMKOWPFCBSGU-AWEZNQCLSA-N -1 0 302.374 1.383 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cc(F)cc(Br)c1 ZINC000262395149 203283336 /nfs/dbraw/zinc/28/33/36/203283336.db2.gz AXJOXBSKEYKKFB-ZJUUUORDSA-N -1 0 316.126 1.925 50 0 DDAARM CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000262923938 203414310 /nfs/dbraw/zinc/41/43/10/203414310.db2.gz KRKYVZPXDLOUSW-NSHDSACASA-N -1 0 308.309 1.863 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2c1 ZINC000263217053 203445085 /nfs/dbraw/zinc/44/50/85/203445085.db2.gz XTRVJQMJNUTLGA-ZDUSSCGKSA-N -1 0 304.302 1.102 50 0 DDAARM CC(C)NC(=O)Nc1ccc([C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000095381427 193439972 /nfs/dbraw/zinc/43/99/72/193439972.db2.gz SQURLLFZVBWNBJ-CQSZACIVSA-N -1 0 321.377 1.674 50 0 DDAARM O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1ccc2c(c1)OCCO2 ZINC000072424423 304162531 /nfs/dbraw/zinc/16/25/31/304162531.db2.gz LOOJVOSGEUMOPZ-HNNXBMFYSA-N -1 0 315.329 1.365 50 0 DDAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)OCCO2 ZINC000009193258 181606354 /nfs/dbraw/zinc/60/63/54/181606354.db2.gz DCMHBXSCZPGWAR-UHFFFAOYSA-N -1 0 321.358 1.913 50 0 DDAARM COC(=O)CC(=Nc1ccc(C(=O)[O-])cc1)C(=O)NC(C)C ZINC000012324769 181750873 /nfs/dbraw/zinc/75/08/73/181750873.db2.gz HKLOEKBAMFDSGB-XYOKQWHBSA-N -1 0 306.318 1.378 50 0 DDAARM CC(=O)c1c([O-])cc(C)n(-c2ccc3[nH]c(=O)oc3c2)c1=O ZINC000016769754 182060297 /nfs/dbraw/zinc/06/02/97/182060297.db2.gz KINWCBBMRSHSLC-UHFFFAOYSA-N -1 0 300.270 1.489 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1OC ZINC000017031936 182070205 /nfs/dbraw/zinc/07/02/05/182070205.db2.gz DWEJEZLFLUCIQN-UHFFFAOYSA-N -1 0 309.347 1.603 50 0 DDAARM CS(=O)(=O)[N-]c1ccn(Cc2c(F)c(F)cc(F)c2F)n1 ZINC000017056401 182073443 /nfs/dbraw/zinc/07/34/43/182073443.db2.gz OVSOZUUXAKDMHT-UHFFFAOYSA-N -1 0 323.271 1.859 50 0 DDAARM Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)s1 ZINC000020285341 182203013 /nfs/dbraw/zinc/20/30/13/182203013.db2.gz QNLBIMHPVLRDPT-JTQLQIEISA-N -1 0 303.405 1.850 50 0 DDAARM Cc1cc(C)n(C2CN(Cc3cnn(CCC(=O)[O-])c3)C2)n1 ZINC000097742703 193752177 /nfs/dbraw/zinc/75/21/77/193752177.db2.gz PDRSBCLZBYDJOX-UHFFFAOYSA-N -1 0 303.366 1.228 50 0 DDAARM Cc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)c(Cl)c1 ZINC000023124638 182349045 /nfs/dbraw/zinc/34/90/45/182349045.db2.gz CKWFWOUSUVRHQH-UHFFFAOYSA-N -1 0 307.737 1.940 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Cl)cc1Cl ZINC000088373496 304200419 /nfs/dbraw/zinc/20/04/19/304200419.db2.gz IMFSPJDYWIBFPC-SNVBAGLBSA-N -1 0 304.129 1.919 50 0 DDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000038021050 182967406 /nfs/dbraw/zinc/96/74/06/182967406.db2.gz BFOTWJLWATZJLG-UHFFFAOYSA-N -1 0 309.746 1.964 50 0 DDAARM COc1ccc(CCC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000043503712 183368223 /nfs/dbraw/zinc/36/82/23/183368223.db2.gz SOQOFEJADHREQF-HNNXBMFYSA-N -1 0 309.387 1.704 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 ZINC000043700326 183381790 /nfs/dbraw/zinc/38/17/90/183381790.db2.gz ZUTYGJFKLSPDEO-JTQLQIEISA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000043700476 183382114 /nfs/dbraw/zinc/38/21/14/183382114.db2.gz CNNHYBDYFLKIKG-JTQLQIEISA-N -1 0 304.129 1.919 50 0 DDAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3nnn([O-])c3c2)C1 ZINC000012504722 297362185 /nfs/dbraw/zinc/36/21/85/297362185.db2.gz GOEBFSMTHRKBBL-AOOOYVTPSA-N -1 0 310.379 1.335 50 0 DDAARM CC[C@@]1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842203 184056554 /nfs/dbraw/zinc/05/65/54/184056554.db2.gz TYBWWICGISYOPB-INIZCTEOSA-N -1 0 320.345 1.716 50 0 DDAARM C[C@H](CCOc1ccccc1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268995087 207151158 /nfs/dbraw/zinc/15/11/58/207151158.db2.gz VIUUYEPKMVSXKL-TZMCWYRMSA-N -1 0 307.346 1.404 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCO1 ZINC000269049761 207197370 /nfs/dbraw/zinc/19/73/70/207197370.db2.gz VCGLKPJCUFMJOG-UKRRQHHQSA-N -1 0 319.357 1.393 50 0 DDAARM COc1ccccc1NC(=O)c1c([O-])c2cccnc2[nH]c1=O ZINC000065249528 184318792 /nfs/dbraw/zinc/31/87/92/184318792.db2.gz SSADZFOHPZDBBW-UHFFFAOYSA-N -1 0 311.297 1.890 50 0 DDAARM Cc1ccccc1[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)NC(N)=O ZINC000269192964 207312154 /nfs/dbraw/zinc/31/21/54/207312154.db2.gz OWTBIKGWNWLHQJ-YPMHNXCESA-N -1 0 319.361 1.028 50 0 DDAARM CC(C)[C@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccccc1 ZINC000065622613 184375033 /nfs/dbraw/zinc/37/50/33/184375033.db2.gz QTUVDUKJUXUHOP-INIZCTEOSA-N -1 0 301.346 1.050 50 0 DDAARM O=C([O-])c1cccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)c1 ZINC000014163583 304260652 /nfs/dbraw/zinc/26/06/52/304260652.db2.gz JQBQIPGJJTZKRD-ZDUSSCGKSA-N -1 0 302.330 1.503 50 0 DDAARM NC(=O)N1CCC[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121147344 256585944 /nfs/dbraw/zinc/58/59/44/256585944.db2.gz OMEGNRNBRXTOJM-VIFPVBQESA-N -1 0 306.347 1.598 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)C1 ZINC000013170924 257233680 /nfs/dbraw/zinc/23/36/80/257233680.db2.gz WLNRQPUXMYPXPB-BPJJOFIESA-N -1 0 317.341 1.794 50 0 DDAARM CSCC[C@H](NC(=O)c1nn(C)c2ccccc21)C(=O)[O-] ZINC000231891620 257242437 /nfs/dbraw/zinc/24/24/37/257242437.db2.gz UISAZACCIMYMCO-JTQLQIEISA-N -1 0 307.375 1.509 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)n1 ZINC000122822611 195506687 /nfs/dbraw/zinc/50/66/87/195506687.db2.gz FIKZYGHWUMWGQJ-RKDXNWHRSA-N -1 0 321.283 1.988 50 0 DDAARM COc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1C ZINC000299753300 533513141 /nfs/dbraw/zinc/51/31/41/533513141.db2.gz XSRBKWNSPZXBPE-UHFFFAOYSA-N -1 0 307.346 1.709 50 0 DDAARM COc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1OC ZINC000000156521 406627137 /nfs/dbraw/zinc/62/71/37/406627137.db2.gz OFZODGUNISMZAK-UHFFFAOYSA-N -1 0 303.274 1.444 50 0 DDAARM O=C(c1ccccc1)C1=C([O-])c2ccccc2S(=O)(=O)N1 ZINC000000174740 406629169 /nfs/dbraw/zinc/62/91/69/406629169.db2.gz OYPKGKZBHGUSOM-ZDUSSCGKSA-N -1 0 301.323 1.413 50 0 DDAARM C=C1NC([S-])=[NH+][C@H](c2ccc(C(=O)[O-])cc2)C1C(=O)OC ZINC000002482018 406687499 /nfs/dbraw/zinc/68/74/99/406687499.db2.gz GZEBTMRPQDLJIG-LLVKDONJSA-N -1 0 306.343 1.762 50 0 DDAARM CC(C)C[C@@H](C(=O)[O-])N1CC[C@H](NC(=O)OC(C)(C)C)C1=O ZINC000002545949 406691288 /nfs/dbraw/zinc/69/12/88/406691288.db2.gz JREAFDMYUYIYLC-QWRGUYRKSA-N -1 0 314.382 1.611 50 0 DDAARM CC(=O)N[C@@H](CCCNC(=S)NC1CCCCC1)C(=O)[O-] ZINC000002814280 406701955 /nfs/dbraw/zinc/70/19/55/406701955.db2.gz XSDDPDWIMJYAAU-LBPRGKRZSA-N -1 0 315.439 1.153 50 0 DDAARM COC(=O)[C@@](O)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000004343699 406723392 /nfs/dbraw/zinc/72/33/92/406723392.db2.gz AJQWJDCMHPLOSU-JTQLQIEISA-N -1 0 311.643 1.494 50 0 DDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc3nsnc32)n1 ZINC000014223595 406873527 /nfs/dbraw/zinc/87/35/27/406873527.db2.gz PDNPRDKUJQRYQK-UHFFFAOYSA-N -1 0 321.387 1.899 50 0 DDAARM Nc1c2cc3c(nc2sc1C(=O)NCC(=O)[O-])CCCC3 ZINC000019853356 406885989 /nfs/dbraw/zinc/88/59/89/406885989.db2.gz ZTMXDMBRIAUJPC-UHFFFAOYSA-N -1 0 305.359 1.572 50 0 DDAARM CC(=O)c1cn(CC(=O)NCCCC(=O)[O-])c2ccccc12 ZINC000036369909 406978966 /nfs/dbraw/zinc/97/89/66/406978966.db2.gz IPFYKCAPCGRINY-UHFFFAOYSA-N -1 0 302.330 1.825 50 0 DDAARM CC(=O)Nc1cccc(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000036617514 406980200 /nfs/dbraw/zinc/98/02/00/406980200.db2.gz CXJJJIKGSKUTJC-UHFFFAOYSA-N -1 0 302.290 1.329 50 0 DDAARM Cc1ccccc1NNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000033048489 406958369 /nfs/dbraw/zinc/95/83/69/406958369.db2.gz DRRSLUQAOJQEDZ-UHFFFAOYSA-N -1 0 322.342 1.704 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCOc3ccccc32)c[nH]1 ZINC000037287408 406987618 /nfs/dbraw/zinc/98/76/18/406987618.db2.gz HWEWVSFWRSSJFL-UHFFFAOYSA-N -1 0 308.315 1.301 50 0 DDAARM CCC(=O)N1CCC[C@@H](C(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC000084718281 407092550 /nfs/dbraw/zinc/09/25/50/407092550.db2.gz UBTHRIKNQRJKGO-GFCCVEGCSA-N -1 0 310.394 1.539 50 0 DDAARM O=C([N-]S(=O)(=O)c1ccc(Cl)s1)C1=COCCC1 ZINC000089800140 407149776 /nfs/dbraw/zinc/14/97/76/407149776.db2.gz NRBFZFBHVFSQDS-UHFFFAOYSA-N -1 0 307.780 1.901 50 0 DDAARM O=C([O-])CN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCOc2ccccc21 ZINC000089857779 407154088 /nfs/dbraw/zinc/15/40/88/407154088.db2.gz AYKDYHSSFCXTKI-GXTWGEPZSA-N -1 0 319.357 1.645 50 0 DDAARM O=C([O-])COc1cc2c(cc1Br)OCC(=O)N2 ZINC000055104340 407195845 /nfs/dbraw/zinc/19/58/45/407195845.db2.gz DAPNBFOGZXKZBL-UHFFFAOYSA-N -1 0 302.080 1.243 50 0 DDAARM O=C([O-])CN(Cc1ccccc1)C(=O)CCN1CCCCO1 ZINC000055393577 407202935 /nfs/dbraw/zinc/20/29/35/407202935.db2.gz ISRFZJPLOABCIM-UHFFFAOYSA-N -1 0 306.362 1.517 50 0 DDAARM Cc1ccc2c(c1)[N-]N=C(C(=O)N1CCCCCC1)S2(=O)=O ZINC000062592029 407231798 /nfs/dbraw/zinc/23/17/98/407231798.db2.gz JPZVFGASEDAMET-UHFFFAOYSA-N -1 0 321.402 1.910 50 0 DDAARM O=C(NCc1ccncc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215585 407240518 /nfs/dbraw/zinc/24/05/18/407240518.db2.gz GEEJWYUGIUWTOA-UHFFFAOYSA-N -1 0 301.327 1.620 50 0 DDAARM COc1ccc(/C=C/CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1 ZINC000097301260 407290891 /nfs/dbraw/zinc/29/08/91/407290891.db2.gz HVHNSPDRLJEMTJ-WOMSROEHSA-N -1 0 313.357 1.943 50 0 DDAARM COC(=O)Cc1c(C)nc2nc(-c3ccc(C)cc3)[n-]n2c1=O ZINC000100472406 407307797 /nfs/dbraw/zinc/30/77/97/407307797.db2.gz XQOXJWFSAWMBHM-UHFFFAOYSA-N -1 0 312.329 1.417 50 0 DDAARM COCCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)[O-])c1 ZINC000100871649 407308530 /nfs/dbraw/zinc/30/85/30/407308530.db2.gz PAEXDKVIGGVXAL-UHFFFAOYSA-N -1 0 313.313 1.483 50 0 DDAARM CC(C)(NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)[O-] ZINC000236672742 407746488 /nfs/dbraw/zinc/74/64/88/407746488.db2.gz YWDXSLIUKWSKDT-LBPRGKRZSA-N -1 0 304.346 1.015 50 0 DDAARM CC(C)[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC000236725558 407762616 /nfs/dbraw/zinc/76/26/16/407762616.db2.gz JQTGHVJBJZNZCB-CABCVRRESA-N -1 0 320.389 1.113 50 0 DDAARM C[C@@H](CNC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1)C(=O)[O-] ZINC000237579557 407830369 /nfs/dbraw/zinc/83/03/69/407830369.db2.gz MYSZSGYTWPXYJQ-RYUDHWBXSA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2-n2cccn2)CCO1 ZINC000238197846 407899037 /nfs/dbraw/zinc/89/90/37/407899037.db2.gz WRLINHMANWTOLC-GFCCVEGCSA-N -1 0 315.329 1.188 50 0 DDAARM COCc1cccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000262858659 407957762 /nfs/dbraw/zinc/95/77/62/407957762.db2.gz VBIWRXGWGCQMMJ-KBPBESRZSA-N -1 0 307.346 1.443 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(-c2cnccn2)n1 ZINC000262919310 407969799 /nfs/dbraw/zinc/96/97/99/407969799.db2.gz UXPUEVYVVSMNEG-JTQLQIEISA-N -1 0 304.331 1.289 50 0 DDAARM CSc1nc(C(=O)NC2(C(=O)[O-])CCOCC2)cs1 ZINC000244595055 407927805 /nfs/dbraw/zinc/92/78/05/407927805.db2.gz DNVJWQXQBOVOEE-UHFFFAOYSA-N -1 0 302.377 1.229 50 0 DDAARM Cc1ncc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c(C)n1 ZINC000262802057 407939561 /nfs/dbraw/zinc/93/95/61/407939561.db2.gz RTSZXTIWASFHAP-HNNXBMFYSA-N -1 0 311.341 1.918 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)COc2ccc(F)c(Cl)c2)CCO1 ZINC000263008993 408001617 /nfs/dbraw/zinc/00/16/17/408001617.db2.gz QWOJBUVGAJQSMX-LLVKDONJSA-N -1 0 317.700 1.170 50 0 DDAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2cc(F)ccc2o1 ZINC000263276883 408087523 /nfs/dbraw/zinc/08/75/23/408087523.db2.gz YCNZYZSHKFNBAD-SSDOTTSWSA-N -1 0 301.295 1.666 50 0 DDAARM Cc1nc([C@H]2CCCN2C(=O)c2cnc(C(=O)[O-])cn2)cs1 ZINC000263420318 408135729 /nfs/dbraw/zinc/13/57/29/408135729.db2.gz KYXVZGIMGYCWLK-GFCCVEGCSA-N -1 0 318.358 1.917 50 0 DDAARM CCc1occc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000263544280 408169160 /nfs/dbraw/zinc/16/91/60/408169160.db2.gz SIYMATUNDLJSGD-LLVKDONJSA-N -1 0 322.361 1.237 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000158495610 408341761 /nfs/dbraw/zinc/34/17/61/408341761.db2.gz GVHKMKBDOWHKAF-HUUCEWRRSA-N -1 0 318.373 1.720 50 0 DDAARM CCC[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000162135080 408673884 /nfs/dbraw/zinc/67/38/84/408673884.db2.gz HXCCOKRNBQNBAU-QWHCGFSZSA-N -1 0 301.350 1.471 50 0 DDAARM CC1CCN(c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cn2)CC1 ZINC000178273959 408797556 /nfs/dbraw/zinc/79/75/56/408797556.db2.gz GHRXZKREBRXZOD-AWEZNQCLSA-N -1 0 317.389 1.865 50 0 DDAARM O=C([N-]S(=O)(=O)CC1CCC1)c1cc(-c2ccccc2)n[nH]1 ZINC000165042081 408807668 /nfs/dbraw/zinc/80/76/68/408807668.db2.gz KSNBKOUZZLPUCJ-UHFFFAOYSA-N -1 0 319.386 1.936 50 0 DDAARM COc1ccc(CCCC(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000262208125 163785696 /nfs/dbraw/zinc/78/56/96/163785696.db2.gz XKMQIPOOJOJYJK-LSDHHAIUSA-N -1 0 321.373 1.718 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)N(C)CCC(=O)[O-])C2=O)cc1 ZINC000299748999 410603701 /nfs/dbraw/zinc/60/37/01/410603701.db2.gz IVNXYDPPAXWBDT-CYBMUJFWSA-N -1 0 304.346 1.281 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cc(F)ccc1Cl ZINC000299769011 410614675 /nfs/dbraw/zinc/61/46/75/410614675.db2.gz LCTZRIAOXQZIDL-SECBINFHSA-N -1 0 301.701 1.795 50 0 DDAARM COCCOc1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000268938726 292604598 /nfs/dbraw/zinc/60/45/98/292604598.db2.gz CZFJNGMNJFRYLM-GFCCVEGCSA-N -1 0 323.345 1.028 50 0 DDAARM NS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc2c1 ZINC000044973970 418434583 /nfs/dbraw/zinc/43/45/83/418434583.db2.gz ISFFGNMZKSWVNW-UHFFFAOYSA-N -1 0 317.326 1.576 50 0 DDAARM C[C@@H]1CCc2nc([N-]S(=O)(=O)c3cnn(C)c3)sc2C1 ZINC000066249663 418486857 /nfs/dbraw/zinc/48/68/57/418486857.db2.gz FEWJKWCACJMSLJ-MRVPVSSYSA-N -1 0 312.420 1.802 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1 ZINC000065568327 418486863 /nfs/dbraw/zinc/48/68/63/418486863.db2.gz RQIOXXXBGIWAMV-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DDAARM NC(=O)[C@@H]1CCC[C@H](n2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000120713201 418503828 /nfs/dbraw/zinc/50/38/28/418503828.db2.gz HZWYMKWXQULWIA-ZJUUUORDSA-N -1 0 303.387 1.902 50 0 DDAARM Cc1ncc(C(=O)NCc2n[nH]c(=O)[n-]2)c(-c2ccccc2)n1 ZINC000426415243 419465509 /nfs/dbraw/zinc/46/55/09/419465509.db2.gz DHNLZVUFONSISB-UHFFFAOYSA-N -1 0 310.317 1.206 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)COCCOc2ccccc2)C1 ZINC000299744743 229384666 /nfs/dbraw/zinc/38/46/66/229384666.db2.gz PPOORGKQKWCDTI-MRXNPFEDSA-N -1 0 307.346 1.405 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ncoc2-c2cccs2)CCO1 ZINC000299749059 229391900 /nfs/dbraw/zinc/39/19/00/229391900.db2.gz IZVNKAGLXPQCLW-QMMMGPOBSA-N -1 0 308.315 1.329 50 0 DDAARM Cc1ccc(-n2[n-]c(C(=O)N3CC(OC(F)F)C3)cc2=O)cc1 ZINC000437555768 420410940 /nfs/dbraw/zinc/41/09/40/420410940.db2.gz IZNMGCMEXWWWBU-UHFFFAOYSA-N -1 0 323.299 1.538 50 0 DDAARM Cn1cc(CC(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)cn1 ZINC000630144313 421916965 /nfs/dbraw/zinc/91/69/65/421916965.db2.gz FQZGTODKYQYTFN-UHFFFAOYSA-N -1 0 321.764 1.729 50 0 DDAARM CN1CCCN(C(=O)c2cnc(C(=O)[O-])cn2)c2ccccc21 ZINC000574992633 422230660 /nfs/dbraw/zinc/23/06/60/422230660.db2.gz SABICRNWFIDOCK-UHFFFAOYSA-N -1 0 312.329 1.662 50 0 DDAARM CC(=O)NC1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1 ZINC000606441890 422459673 /nfs/dbraw/zinc/45/96/73/422459673.db2.gz GBTXQCUINBZTPD-DAXSKMNVSA-N -1 0 316.357 1.525 50 0 DDAARM CC(C)C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000175878720 278987702 /nfs/dbraw/zinc/98/77/02/278987702.db2.gz FPRMBCNFHLPNKT-QWRGUYRKSA-N -1 0 310.350 1.261 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC ZINC000492119090 295056164 /nfs/dbraw/zinc/05/61/64/295056164.db2.gz OGVTTZIGNWIHPO-RNZFLTOJSA-N -1 0 321.329 1.029 50 0 DDAARM Cc1cc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])oc2cc1C ZINC000268980770 301459164 /nfs/dbraw/zinc/45/91/64/301459164.db2.gz MWGOZUDSTQUJEX-LBPRGKRZSA-N -1 0 303.314 1.975 50 0 DDAARM O=C([O-])C1(C(=O)N2CC[C@@H](c3ccccc3)C2)CCOCC1 ZINC000576519410 308320739 /nfs/dbraw/zinc/32/07/39/308320739.db2.gz KZHONMGHNMXBFL-CQSZACIVSA-N -1 0 303.358 1.884 50 0 DDAARM O=C([O-])[C@H]1CC[C@H](C(=O)NCCCc2ccco2)N1C1CC1 ZINC000663227991 484753036 /nfs/dbraw/zinc/75/30/36/484753036.db2.gz BZTZEVXHWPGLRD-ZIAGYGMSSA-N -1 0 306.362 1.408 50 0 DDAARM CCOC(=O)c1cnc(C)c(C(=O)Nc2ncccc2O)c1 ZINC000390834576 490779582 /nfs/dbraw/zinc/77/95/82/490779582.db2.gz FQBQHZXIWRLGCC-UHFFFAOYSA-N -1 0 301.302 1.920 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2c[nH]c3cc(Cl)ccc23)CCO1 ZINC000328595488 534524376 /nfs/dbraw/zinc/52/43/76/534524376.db2.gz WGJSBHHFZLPGGL-ZDUSSCGKSA-N -1 0 322.748 1.676 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ncoc1-c1cccs1 ZINC000299750955 534526728 /nfs/dbraw/zinc/52/67/28/534526728.db2.gz OWIXZWJWQTWCTO-QMMMGPOBSA-N -1 0 308.315 1.329 50 0 DDAARM CC(C)COc1ccc(CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299746872 528147948 /nfs/dbraw/zinc/14/79/48/528147948.db2.gz BMQOOPAWEWRAGS-HNNXBMFYSA-N -1 0 321.373 1.576 50 0 DDAARM CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299750877 528886353 /nfs/dbraw/zinc/88/63/53/528886353.db2.gz OOPCIZIMFAFIFR-GHMZBOCLSA-N -1 0 315.329 1.405 50 0 DDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1cc(C)c(C)n(C)c1=O ZINC000299770589 528897713 /nfs/dbraw/zinc/89/77/13/528897713.db2.gz SVKBQMCZUBMFAT-GFCCVEGCSA-N -1 0 308.378 1.765 50 0 DDAARM CCc1ccccc1OC1CN(C(=O)N[C@@H](CC)C(=O)[O-])C1 ZINC000822564362 758222209 /nfs/dbraw/zinc/22/22/09/758222209.db2.gz XPMNWZKIYXECHV-ZDUSSCGKSA-N -1 0 306.362 1.885 50 0 DDAARM Cc1ccc(C(=O)[O-])c(NC2CCN(C(=O)C3CC3)CC2)n1 ZINC000827695964 759363921 /nfs/dbraw/zinc/36/39/21/759363921.db2.gz IBRNFMQLFYCXJH-UHFFFAOYSA-N -1 0 303.362 1.901 50 0 DDAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NCC2(O)CCC2)n1 ZINC000079050286 185149036 /nfs/dbraw/zinc/14/90/36/185149036.db2.gz UOOHJYAPJDRFPR-UHFFFAOYSA-N -1 0 319.336 1.670 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc3c(c2)OCO3)C1 ZINC000316446454 231149952 /nfs/dbraw/zinc/14/99/52/231149952.db2.gz SCVPHKNJMKIBOV-LLCTXKFZSA-N -1 0 303.314 1.752 50 0 DDAARM CC[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000299276388 529568469 /nfs/dbraw/zinc/56/84/69/529568469.db2.gz RDIGDAQGCBIYLK-KGLIPLIRSA-N -1 0 307.346 1.837 50 0 DDAARM CSc1cccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000095471822 185372696 /nfs/dbraw/zinc/37/26/96/185372696.db2.gz JHNPMMHYJDJHCM-UHFFFAOYSA-N -1 0 318.354 1.907 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1n[nH]c(-c2cccs2)n1 ZINC000072401963 191150814 /nfs/dbraw/zinc/15/08/14/191150814.db2.gz VLRZGKNYNSOXPM-UHFFFAOYSA-N -1 0 316.302 1.274 50 0 DDAARM COc1nccnc1N1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072412111 191154971 /nfs/dbraw/zinc/15/49/71/191154971.db2.gz GTMDOCOPOUODIS-UHFFFAOYSA-N -1 0 317.349 1.070 50 0 DDAARM Cc1c(O)ccc2c(C)c(CC(=O)N(C)CC(=O)[O-])c(=O)oc12 ZINC000003863605 181050105 /nfs/dbraw/zinc/05/01/05/181050105.db2.gz BRVVEZXNAYKKPB-UHFFFAOYSA-N -1 0 319.313 1.201 50 0 biogenic DDAARM O=C([O-])CCCCCNS(=O)(=O)c1ccc(F)c(F)c1 ZINC000004206351 181085456 /nfs/dbraw/zinc/08/54/56/181085456.db2.gz CSRMPLDUCOMJGM-UHFFFAOYSA-N -1 0 307.318 1.888 50 0 DDAARM O=C(CSc1nncc(=O)[n-]1)Nc1nc2ccccc2s1 ZINC000004248968 181088056 /nfs/dbraw/zinc/08/80/56/181088056.db2.gz YDYDZYMHFCSPPA-UHFFFAOYSA-N -1 0 319.371 1.918 50 0 DDAARM CCCOCC(=O)[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000252509534 354384036 /nfs/dbraw/zinc/38/40/36/354384036.db2.gz YPLYYPNSLWTPNM-UHFFFAOYSA-N -1 0 305.783 1.713 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004502796 181116551 /nfs/dbraw/zinc/11/65/51/181116551.db2.gz NHZAEKUBKUCFDG-GFCCVEGCSA-N -1 0 324.358 1.266 50 0 DDAARM COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000005102177 181203806 /nfs/dbraw/zinc/20/38/06/181203806.db2.gz ASZCSLUPXWBNGZ-LBPRGKRZSA-N -1 0 304.302 1.528 50 0 DDAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1Cl)N1CCOCC1 ZINC000005636893 181266621 /nfs/dbraw/zinc/26/66/21/181266621.db2.gz CQSMXWUOWPIGRU-GFCCVEGCSA-N -1 0 312.753 1.454 50 0 DDAARM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000236834234 202031055 /nfs/dbraw/zinc/03/10/55/202031055.db2.gz JKTCUPRWXCKUIV-QMMMGPOBSA-N -1 0 324.299 1.157 50 0 DDAARM CC[C@@H](NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O)C(=O)[O-] ZINC000236911390 202067281 /nfs/dbraw/zinc/06/72/81/202067281.db2.gz IZUAFGCHBMLQNL-CABCVRRESA-N -1 0 318.373 1.502 50 0 DDAARM C[C@H](CN(C)C(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000237552647 202281219 /nfs/dbraw/zinc/28/12/19/202281219.db2.gz GXKWFBVAHUXSFK-GFCCVEGCSA-N -1 0 318.373 1.535 50 0 DDAARM Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)ccc1-n1cncn1 ZINC000237667391 202324215 /nfs/dbraw/zinc/32/42/15/202324215.db2.gz BROZEUIEWUNTJG-UHFFFAOYSA-N -1 0 300.318 1.265 50 0 DDAARM Cc1sc(=O)n(CC(=O)Nc2ccccc2CC(=O)[O-])c1C ZINC000237693517 202329842 /nfs/dbraw/zinc/32/98/42/202329842.db2.gz LJVASNVMLLRTGJ-UHFFFAOYSA-N -1 0 320.370 1.792 50 0 DDAARM C[C@@H](NC(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000195542682 201403816 /nfs/dbraw/zinc/40/38/16/201403816.db2.gz CKSSBODGWKTZNG-MRVPVSSYSA-N -1 0 300.152 1.971 50 0 DDAARM O=C(CN1CCCC1=O)n1cc(C(=O)c2ccccc2[O-])cn1 ZINC000006560669 181354830 /nfs/dbraw/zinc/35/48/30/181354830.db2.gz PXCXKHMAQLGENH-UHFFFAOYSA-N -1 0 313.313 1.082 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262436225 304139892 /nfs/dbraw/zinc/13/98/92/304139892.db2.gz TTXJPPIGSTWIBU-HBNTYKKESA-N -1 0 318.156 1.864 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2nncn2c1 ZINC000262249341 304147436 /nfs/dbraw/zinc/14/74/36/304147436.db2.gz CYUUSBQNCUVCGO-WXHSDQCUSA-N -1 0 314.345 1.587 50 0 DDAARM C[C@@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263116025 296138372 /nfs/dbraw/zinc/13/83/72/296138372.db2.gz LMWJPIYLEKGTST-RXMQYKEDSA-N -1 0 313.253 1.179 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000262413767 203288157 /nfs/dbraw/zinc/28/81/57/203288157.db2.gz JRDGZTXXEWICPZ-LBPRGKRZSA-N -1 0 317.345 1.153 50 0 DDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000263380154 203461845 /nfs/dbraw/zinc/46/18/45/203461845.db2.gz BHSRBZUHEDVGLM-OAHLLOKOSA-N -1 0 300.318 1.347 50 0 DDAARM COCCCn1c(=O)[nH]nc1SCc1ccc(C(=O)[O-])cc1 ZINC000007785410 181496369 /nfs/dbraw/zinc/49/63/69/181496369.db2.gz NHQQIFSGLNZPBB-UHFFFAOYSA-N -1 0 323.374 1.598 50 0 DDAARM Cc1nc2c3ccccc3nc(S[C@H](CCO)C(=O)[O-])n2n1 ZINC000012852219 181803448 /nfs/dbraw/zinc/80/34/48/181803448.db2.gz RVNHJYYEFDGFCH-LLVKDONJSA-N -1 0 318.358 1.514 50 0 DDAARM COc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc(OC)c1OC ZINC000013170336 181836253 /nfs/dbraw/zinc/83/62/53/181836253.db2.gz AUQCYIGGVULYII-JTQLQIEISA-N -1 0 323.345 1.649 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1csc(-c2ncccn2)n1 ZINC000136521018 304179236 /nfs/dbraw/zinc/17/92/36/304179236.db2.gz FCEACXCECVGOEI-SNVBAGLBSA-N -1 0 318.358 1.679 50 0 DDAARM COc1ccc(S(=O)(=O)NC(C)(C)C)c(CC(=O)[O-])c1 ZINC000021965751 182301192 /nfs/dbraw/zinc/30/11/92/182301192.db2.gz JWAGHPJKGSGSBX-UHFFFAOYSA-N -1 0 301.364 1.399 50 0 DDAARM Cc1cc(CN(C)S(=O)(=O)c2ccsc2C(=O)[O-])no1 ZINC000035246927 182764555 /nfs/dbraw/zinc/76/45/55/182764555.db2.gz LHHCTCACKFXJKU-UHFFFAOYSA-N -1 0 316.360 1.563 50 0 DDAARM NC(=O)C[C@@H](NC(=O)c1cc2c(cccc2F)s1)C(=O)[O-] ZINC000036976570 182857589 /nfs/dbraw/zinc/85/75/89/182857589.db2.gz AIXWQIITOJSWRH-MRVPVSSYSA-N -1 0 310.306 1.099 50 0 DDAARM CCCNC(=O)[C@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000040478782 183075979 /nfs/dbraw/zinc/07/59/79/183075979.db2.gz IDZGYGIZYKUOSV-VIFPVBQESA-N -1 0 321.406 1.122 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccccc1 ZINC000003886980 304207664 /nfs/dbraw/zinc/20/76/64/304207664.db2.gz YBNFARCMGBPBOI-OAHLLOKOSA-N -1 0 317.366 1.887 50 0 DDAARM O=C([O-])[C@H](c1cc(Br)cs1)N1CCOCC1 ZINC000041678535 183215846 /nfs/dbraw/zinc/21/58/46/183215846.db2.gz WPGRXFUJUCBGSX-VIFPVBQESA-N -1 0 306.181 1.969 50 0 DDAARM C[C@H](CN(C)C(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC000042695237 183297288 /nfs/dbraw/zinc/29/72/88/183297288.db2.gz VNELSVLJQYJLNR-MRVPVSSYSA-N -1 0 308.359 1.524 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000268874118 207044827 /nfs/dbraw/zinc/04/48/27/207044827.db2.gz AIAUJIIZWREAFG-UWVGGRQHSA-N -1 0 321.720 1.727 50 0 DDAARM CC(C)CN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000268947133 207111747 /nfs/dbraw/zinc/11/17/47/207111747.db2.gz NPYJNMZHFBAGQF-GQCTYLIASA-N -1 0 305.330 1.998 50 0 DDAARM Cc1cccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[n-]2)c1 ZINC000057523574 184040943 /nfs/dbraw/zinc/04/09/43/184040943.db2.gz DAUOSYNPQGQLCD-CQSZACIVSA-N -1 0 308.345 1.868 50 0 DDAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])nn1-c1ccccc1 ZINC000268978489 207140123 /nfs/dbraw/zinc/14/01/23/207140123.db2.gz LTCZVBDMVJGWME-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM CC[C@]1(c2ccc(OC(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842205 184056420 /nfs/dbraw/zinc/05/64/20/184056420.db2.gz TYBWWICGISYOPB-MRXNPFEDSA-N -1 0 320.345 1.716 50 0 DDAARM Cc1cc(C)cc(OCCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268985166 207143044 /nfs/dbraw/zinc/14/30/44/207143044.db2.gz PFYAHVVADTUDQR-AWEZNQCLSA-N -1 0 307.346 1.384 50 0 DDAARM C[C@@H](CCOc1ccccc1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268995084 207151726 /nfs/dbraw/zinc/15/17/26/207151726.db2.gz VIUUYEPKMVSXKL-GXTWGEPZSA-N -1 0 307.346 1.404 50 0 DDAARM CCn1cc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 ZINC000060353843 184146499 /nfs/dbraw/zinc/14/64/99/184146499.db2.gz OYFGCFLJBFVMQR-UHFFFAOYSA-N -1 0 320.378 1.294 50 0 DDAARM C[C@@H]1CCc2c(C(=O)N3CCO[C@H](C(=O)[O-])C3)csc2C1 ZINC000059226895 184135781 /nfs/dbraw/zinc/13/57/81/184135781.db2.gz DYQXSKDMKSZKQB-SKDRFNHKSA-N -1 0 309.387 1.799 50 0 DDAARM COc1ccc(CCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000269039207 207188097 /nfs/dbraw/zinc/18/80/97/207188097.db2.gz PTIAKPMAPKVGGH-QGZVFWFLSA-N -1 0 321.373 1.960 50 0 DDAARM CCS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062118304 184206909 /nfs/dbraw/zinc/20/69/09/184206909.db2.gz WOIRXAUXLVLBFH-SNVBAGLBSA-N -1 0 311.359 1.027 50 0 DDAARM CCc1noc(-c2cccc(N3C[C@@H](C(=O)[O-])CC3=O)c2)n1 ZINC000065488446 184353334 /nfs/dbraw/zinc/35/33/34/184353334.db2.gz BBDRUGTYSVVSBK-JTQLQIEISA-N -1 0 301.302 1.737 50 0 DDAARM CCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000269204424 207322854 /nfs/dbraw/zinc/32/28/54/207322854.db2.gz SSXIWRYOLYQLHG-NSHDSACASA-N -1 0 311.359 1.027 50 0 DDAARM O=C([O-])C1(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000154857214 197000052 /nfs/dbraw/zinc/00/00/52/197000052.db2.gz SRDOFGIVFXABNF-GFCCVEGCSA-N -1 0 311.284 1.730 50 0 DDAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 ZINC000013167327 257233609 /nfs/dbraw/zinc/23/36/09/257233609.db2.gz WPOPBKLQTDPPOD-DUXPYHPUSA-N -1 0 317.341 1.794 50 0 DDAARM CCOc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000223554098 286561885 /nfs/dbraw/zinc/56/18/85/286561885.db2.gz QRQNPESPTAPNKK-ZDUSSCGKSA-N -1 0 307.346 1.330 50 0 DDAARM Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000267493 406636819 /nfs/dbraw/zinc/63/68/19/406636819.db2.gz AAWOKTGNZABRTQ-AWEZNQCLSA-N -1 0 320.370 1.243 50 0 DDAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1CCCO1 ZINC000000425344 406648206 /nfs/dbraw/zinc/64/82/06/406648206.db2.gz LINMRCJYUMUGQW-SNVBAGLBSA-N -1 0 319.386 1.354 50 0 DDAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])ccc12 ZINC000000518073 406653396 /nfs/dbraw/zinc/65/33/96/406653396.db2.gz COJKTIPDXXCMAE-ZJUUUORDSA-N -1 0 319.313 1.458 50 0 biogenic DDAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F ZINC000002550764 406689911 /nfs/dbraw/zinc/68/99/11/406689911.db2.gz KTMGPIGNLAPLER-CYBMUJFWSA-N -1 0 323.345 1.800 50 0 DDAARM C[C@](Cl)(CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000006566359 406739994 /nfs/dbraw/zinc/73/99/94/406739994.db2.gz AEJGYOQQDKQIPO-JTQLQIEISA-N -1 0 312.174 1.700 50 0 DDAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)n(Cc3ccccc3)c(=O)c12 ZINC000006665035 406740471 /nfs/dbraw/zinc/74/04/71/406740471.db2.gz RQNPQOIQKCLLDP-UHFFFAOYSA-N -1 0 316.338 1.806 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C)c(C)nn2C)cc1 ZINC000069664739 406753268 /nfs/dbraw/zinc/75/32/68/406753268.db2.gz WPDHDXMWTOYODB-UHFFFAOYSA-N -1 0 323.374 1.624 50 0 DDAARM COCCn1c(=O)c2ccc(C(=O)NC(C)C)cc2[n-]c1=S ZINC000003043428 406710373 /nfs/dbraw/zinc/71/03/73/406710373.db2.gz QDGOWQDAKMCTBE-UHFFFAOYSA-N -1 0 321.402 1.470 50 0 DDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000003203172 406714172 /nfs/dbraw/zinc/71/41/72/406714172.db2.gz QCOPOBCNXPBPIJ-RYUDHWBXSA-N -1 0 312.391 1.503 50 0 DDAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000009689963 406813822 /nfs/dbraw/zinc/81/38/22/406813822.db2.gz COLDUTKFPCYODW-UHFFFAOYSA-N -1 0 323.374 1.624 50 0 DDAARM CS(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167352 406859996 /nfs/dbraw/zinc/85/99/96/406859996.db2.gz YUZQVAIKHRVPPL-UHFFFAOYSA-N -1 0 311.359 1.027 50 0 DDAARM CCOc1ccccc1OCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170626 406860014 /nfs/dbraw/zinc/86/00/14/406860014.db2.gz HADBOIKBZFJPCX-GFCCVEGCSA-N -1 0 307.346 1.787 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncn(CC(=O)NCC(C)C)c(=O)c12 ZINC000013417667 406860900 /nfs/dbraw/zinc/86/09/00/406860900.db2.gz XPTWNFLQMFEXEJ-UHFFFAOYSA-N -1 0 323.374 1.237 50 0 DDAARM Cc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2CCCn2ccnc2)o1 ZINC000072275663 406877377 /nfs/dbraw/zinc/87/73/77/406877377.db2.gz ZZDOPXZVKXNTMX-WFASDCNBSA-N -1 0 317.345 1.849 50 0 DDAARM O=C(Nc1nc2ccccc2n1C1CCCC1)c1nc(=O)[nH][n-]1 ZINC000072294124 406879211 /nfs/dbraw/zinc/87/92/11/406879211.db2.gz CIGLRRAQXPRLNF-UHFFFAOYSA-N -1 0 312.333 1.815 50 0 DDAARM COc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000016622434 406883827 /nfs/dbraw/zinc/88/38/27/406883827.db2.gz XIVAYKOUAKTHEH-CYBMUJFWSA-N -1 0 315.391 1.700 50 0 DDAARM CN(C)C(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000027057802 406907911 /nfs/dbraw/zinc/90/79/11/406907911.db2.gz NXOPAYXVNLDBCQ-NEPJUHHUSA-N -1 0 316.357 1.994 50 0 DDAARM CCn1cc(-c2ccnc3nc(CCC(=O)[O-])nn32)c(C)n1 ZINC000012399058 406844238 /nfs/dbraw/zinc/84/42/38/406844238.db2.gz BSFQJIPUOTWQLQ-UHFFFAOYSA-N -1 0 300.322 1.333 50 0 DDAARM COCCNC(=O)CCc1nnc(-c2cccs2)[n-]c1=O ZINC000034768088 406965242 /nfs/dbraw/zinc/96/52/42/406965242.db2.gz VPBQKBPRQXLLBD-UHFFFAOYSA-N -1 0 308.363 1.001 50 0 DDAARM CC1(C)[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)[C@@H]1C(=O)[O-] ZINC000034926330 406965398 /nfs/dbraw/zinc/96/53/98/406965398.db2.gz RHQLLBUXAVBDGH-UONOGXRCSA-N -1 0 320.364 1.831 50 0 DDAARM COc1ccc2c(ccn2CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000032072634 406944284 /nfs/dbraw/zinc/94/42/84/406944284.db2.gz OKQNYCZIPCCGDH-CYBMUJFWSA-N -1 0 316.357 1.973 50 0 DDAARM O=C([N-]CCNC(=O)c1nc2ccccc2s1)C(F)(F)F ZINC000044920876 407033844 /nfs/dbraw/zinc/03/38/44/407033844.db2.gz QHRQLTCSSMRSOT-UHFFFAOYSA-N -1 0 317.292 1.705 50 0 DDAARM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(F)cn3)cc2N1 ZINC000078773297 407045246 /nfs/dbraw/zinc/04/52/46/407045246.db2.gz RDNOLPSHEIXZOA-UHFFFAOYSA-N -1 0 323.305 1.352 50 0 DDAARM Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000036983378 406985481 /nfs/dbraw/zinc/98/54/81/406985481.db2.gz VBLYVPPJEWSUTM-NSHDSACASA-N -1 0 301.339 1.762 50 0 DDAARM CCN1CCN(c2nnc(-n3cccc3C(=O)[O-])s2)CC1 ZINC000045796069 407049804 /nfs/dbraw/zinc/04/98/04/407049804.db2.gz ZSGCBGURCSBNIZ-UHFFFAOYSA-N -1 0 307.379 1.169 50 0 DDAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088374335 407121830 /nfs/dbraw/zinc/12/18/30/407121830.db2.gz DRFDNRCYXLQLQY-MRVPVSSYSA-N -1 0 307.133 1.258 50 0 DDAARM O=S(=O)([N-]c1ccccc1-n1cnnn1)c1cccs1 ZINC000047328532 407072706 /nfs/dbraw/zinc/07/27/06/407072706.db2.gz WWDWBZJRAQBXPN-UHFFFAOYSA-N -1 0 307.360 1.525 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CCC(=O)NC2CCCC2)cc1 ZINC000055309532 407201035 /nfs/dbraw/zinc/20/10/35/407201035.db2.gz IFXPKDZLWOFISI-UHFFFAOYSA-N -1 0 318.373 1.840 50 0 DDAARM CC(C)(C)[C@@H](NC(=O)c1nnc2ccccc2c1O)C(=O)[O-] ZINC000095970084 407218531 /nfs/dbraw/zinc/21/85/31/407218531.db2.gz OMXODDOGBYQTFL-LBPRGKRZSA-N -1 0 303.318 1.152 50 0 DDAARM Cn1nccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000096501910 407273531 /nfs/dbraw/zinc/27/35/31/407273531.db2.gz GTCGCAKKIFGPJW-UHFFFAOYSA-N -1 0 317.317 1.865 50 0 DDAARM COc1cc(C(=O)N[C@H](C(=O)[O-])c2c(C)n[nH]c2C)ccc1C ZINC000067654486 407278462 /nfs/dbraw/zinc/27/84/62/407278462.db2.gz HNURRRDZBHRNFR-AWEZNQCLSA-N -1 0 317.345 1.899 50 0 DDAARM Cc1nc(C(=O)NCCc2n[nH]c(=O)[n-]2)c(-c2ccccc2)o1 ZINC000097135315 407282474 /nfs/dbraw/zinc/28/24/74/407282474.db2.gz HRTHFBXULWIJBL-UHFFFAOYSA-N -1 0 313.317 1.034 50 0 DDAARM O=C([O-])c1ccc(-c2noc(CNCCn3cccn3)n2)cc1 ZINC000067847220 407287166 /nfs/dbraw/zinc/28/71/66/407287166.db2.gz NWDKWOPQXCIYEP-UHFFFAOYSA-N -1 0 313.317 1.421 50 0 DDAARM CCN(Cc1noc(CC(C)C)n1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000097288771 407290117 /nfs/dbraw/zinc/29/01/17/407290117.db2.gz AKXSSUFKAXGNFD-UHFFFAOYSA-N -1 0 321.337 1.352 50 0 DDAARM CN(Cc1nc(C2CC2)nn1CC(=O)[O-])Cc1ccccn1 ZINC000097636690 407301327 /nfs/dbraw/zinc/30/13/27/407301327.db2.gz GXUDETRVMHCXKQ-UHFFFAOYSA-N -1 0 301.350 1.267 50 0 DDAARM COc1ccc(-c2cc(=O)n([C@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000101449768 407309591 /nfs/dbraw/zinc/30/95/91/407309591.db2.gz VJPNCPILLCPLGB-NSHDSACASA-N -1 0 308.359 1.624 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000262361002 407811863 /nfs/dbraw/zinc/81/18/63/407811863.db2.gz WKOJKQJWTLWQHP-OAHLLOKOSA-N -1 0 303.358 1.420 50 0 DDAARM CC[C@](NC(=O)c1snnc1C)(C(=O)[O-])c1ccccc1 ZINC000262534796 407859547 /nfs/dbraw/zinc/85/95/47/407859547.db2.gz QANVVRWHQSCPQK-CQSZACIVSA-N -1 0 305.359 1.966 50 0 DDAARM O=C([O-])CCNC(=O)CCc1ccccc1Br ZINC000238169506 407896589 /nfs/dbraw/zinc/89/65/89/407896589.db2.gz OQPOCPSEHVVCLI-UHFFFAOYSA-N -1 0 300.152 1.973 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1 ZINC000238199051 407899438 /nfs/dbraw/zinc/89/94/38/407899438.db2.gz CHXBIHBGECUAKR-GFCCVEGCSA-N -1 0 307.350 1.314 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2cnc([C@H]3CCCO3)s2)n1 ZINC000262823554 407948252 /nfs/dbraw/zinc/94/82/52/407948252.db2.gz WJOQUJGEZCMSKD-MRVPVSSYSA-N -1 0 322.346 1.528 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136536616 408109339 /nfs/dbraw/zinc/10/93/39/408109339.db2.gz UKTVBSFPENCWLS-CQSZACIVSA-N -1 0 314.345 1.655 50 0 DDAARM CC(C)(C)[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H]1O ZINC000263419928 408134614 /nfs/dbraw/zinc/13/46/14/408134614.db2.gz KXFAITKJMNYZPR-JOYOIKCWSA-N -1 0 307.350 1.044 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cc(C)nn2C)(C(=O)[O-])C1(C)C ZINC000193042769 408687481 /nfs/dbraw/zinc/68/74/81/408687481.db2.gz PKTFFSYPVFFFNM-NHYWBVRUSA-N -1 0 309.366 1.117 50 0 DDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000263216298 163932221 /nfs/dbraw/zinc/93/22/21/163932221.db2.gz OEVKPSYXKGPLNS-NEPJUHHUSA-N -1 0 314.345 1.593 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1F ZINC000314894581 409834058 /nfs/dbraw/zinc/83/40/58/409834058.db2.gz BSSBOQSONIDXMV-DXTPNHAXSA-N -1 0 309.293 1.160 50 0 DDAARM O=C([O-])Cc1cc(C2CCN(C(=O)C3CCOCC3)CC2)[nH]n1 ZINC000299776294 410621868 /nfs/dbraw/zinc/62/18/68/410621868.db2.gz NAPVMGBWWUCYJP-UHFFFAOYSA-N -1 0 321.377 1.169 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cccc(N3CCCC3=O)c2)C1 ZINC000044979112 418436621 /nfs/dbraw/zinc/43/66/21/418436621.db2.gz LYUOJEZIPLTRGM-GFCCVEGCSA-N -1 0 302.330 1.247 50 0 DDAARM O=C(Cc1ccsc1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990494 418495628 /nfs/dbraw/zinc/49/56/28/418495628.db2.gz HISGLJWPYGYGNA-UHFFFAOYSA-N -1 0 314.370 1.212 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)Nc1ccnn1C1CCCC1 ZINC000262640330 222287809 /nfs/dbraw/zinc/28/78/09/222287809.db2.gz IUMAFJCKFPQEOQ-LBPRGKRZSA-N -1 0 306.366 1.486 50 0 DDAARM CC[C@H](C(=O)[O-])[S@@](=O)Cc1nnnn1-c1c(C)cccc1C ZINC000170602782 287514170 /nfs/dbraw/zinc/51/41/70/287514170.db2.gz UICMFYVOZGXFAB-XFNZEKPQSA-N -1 0 322.390 1.391 50 0 DDAARM COCCOc1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000299745634 229386664 /nfs/dbraw/zinc/38/66/64/229386664.db2.gz RNEQNVCRDGQKMT-INIZCTEOSA-N -1 0 307.346 1.649 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000492297695 420515456 /nfs/dbraw/zinc/51/54/56/420515456.db2.gz SQFHPTZAPYMMNU-XYLWRLHESA-N -1 0 305.330 1.793 50 0 DDAARM CCn1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c(C)n1 ZINC000630126850 421904468 /nfs/dbraw/zinc/90/44/68/421904468.db2.gz KUMZURAZWXWGAU-UHFFFAOYSA-N -1 0 301.346 1.938 50 0 DDAARM CC[C@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2cc[n-]n2c1=O ZINC000252523225 287650486 /nfs/dbraw/zinc/65/04/86/287650486.db2.gz CCCFZDZVGIJSFH-GXFFZTMASA-N -1 0 320.393 1.199 50 0 DDAARM CC(=O)N1CCC[C@H](C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])C1 ZINC000299743868 278019858 /nfs/dbraw/zinc/01/98/58/278019858.db2.gz PQHBMLWWFABKLJ-BARDWOONSA-N -1 0 322.405 1.489 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000000258718 278203106 /nfs/dbraw/zinc/20/31/06/278203106.db2.gz DSOOEHVNCNKAPL-LBPRGKRZSA-N -1 0 314.363 1.033 50 0 DDAARM COc1ccccc1[C@@H]1CN(C(=O)CSC)C[C@H]1C(=O)[O-] ZINC000091626215 295391560 /nfs/dbraw/zinc/39/15/60/295391560.db2.gz DANRRBQRTLJBCK-NWDGAFQWSA-N -1 0 309.387 1.685 50 0 DDAARM Cc1nc([C@@H](NC(=O)C(=O)[O-])c2ccc(Cl)c(F)c2)no1 ZINC000364021142 300336034 /nfs/dbraw/zinc/33/60/34/300336034.db2.gz BPIAUNHQTIUOHI-VIFPVBQESA-N -1 0 313.672 1.461 50 0 DDAARM Cc1ccc(N2CCCn3nc(CCC(=O)[O-])cc3C2)nn1 ZINC000072425977 301628480 /nfs/dbraw/zinc/62/84/80/301628480.db2.gz NIOPFPJGJRMKEC-UHFFFAOYSA-N -1 0 301.350 1.409 50 0 DDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000089702013 302310066 /nfs/dbraw/zinc/31/00/66/302310066.db2.gz OXYYBCMERDWXSL-MNOVXSKESA-N -1 0 314.432 1.617 50 0 DDAARM O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1cn(-c2ccccc2)nn1 ZINC000215287629 333386141 /nfs/dbraw/zinc/38/61/41/333386141.db2.gz LINBRXVWFKWOQJ-OAHLLOKOSA-N -1 0 324.344 1.174 50 0 DDAARM CN(C)[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)c1ccccc1F ZINC000219501150 484148681 /nfs/dbraw/zinc/14/86/81/484148681.db2.gz URHKYVPYUTZWSQ-CYBMUJFWSA-N -1 0 324.352 1.178 50 0 DDAARM CC(C)(C(=O)[O-])n1ccc(NC(=O)c2ccnc(C3CC3)n2)n1 ZINC000659201478 484684249 /nfs/dbraw/zinc/68/42/49/484684249.db2.gz MDPYKIHOELRDCC-UHFFFAOYSA-N -1 0 315.333 1.623 50 0 DDAARM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC000299750760 534039639 /nfs/dbraw/zinc/03/96/39/534039639.db2.gz OHDHNBWDGOUENO-OASPWFOLSA-N -1 0 302.330 1.124 50 0 DDAARM O=C([O-])CCCNC(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000426389685 534490735 /nfs/dbraw/zinc/49/07/35/534490735.db2.gz NJJCIMCVJSNEEZ-UHFFFAOYSA-N -1 0 323.368 1.912 50 0 DDAARM Cc1cccc(OCCC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299747657 534750460 /nfs/dbraw/zinc/75/04/60/534750460.db2.gz DOUMMAADEPFTHN-UHFFFAOYSA-N -1 0 321.373 1.856 50 0 DDAARM CCOc1ccccc1CCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299742461 528714575 /nfs/dbraw/zinc/71/45/75/528714575.db2.gz JJJLXHSRBOQMIZ-CYBMUJFWSA-N -1 0 307.346 1.330 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc3ccccc3s2)n1 ZINC000020614747 696070973 /nfs/dbraw/zinc/07/09/73/696070973.db2.gz DOOSNEPITPVKBD-UHFFFAOYSA-N -1 0 302.315 1.980 50 0 DDAARM Cn1cc(C=CC(=O)N[C@H](c2nc(=O)o[n-]2)C(C)(C)C)cn1 ZINC000877871166 706229365 /nfs/dbraw/zinc/22/93/65/706229365.db2.gz LQMFSUDUXZMSPJ-MVIFTORASA-N -1 0 305.338 1.013 50 0 DDAARM O=C([O-])[C@H]1CCc2nn(CCOc3ccccc3)c(=O)n2CC1 ZINC000675014384 737518896 /nfs/dbraw/zinc/51/88/96/737518896.db2.gz ILWZKRRFARTMLP-LBPRGKRZSA-N -1 0 317.345 1.161 50 0 DDAARM COc1ccc([C@H]2[C@H](C(=O)[O-])SCC(=O)N2C2CC2)cc1 ZINC000824659943 759193120 /nfs/dbraw/zinc/19/31/20/759193120.db2.gz RHSHGLMOCVKMFS-UONOGXRCSA-N -1 0 307.371 1.927 50 0 DDAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])SCC(=O)N2C2CC2)cc1 ZINC000824659942 759193566 /nfs/dbraw/zinc/19/35/66/759193566.db2.gz RHSHGLMOCVKMFS-KGLIPLIRSA-N -1 0 307.371 1.927 50 0 DDAARM CCS(=O)(CC)=NS(=O)(=O)[N-]c1cccc2nonc21 ZINC000585129674 771961994 /nfs/dbraw/zinc/96/19/94/771961994.db2.gz RGWMFMCLNKJALS-UHFFFAOYSA-N -1 0 318.380 1.387 50 0 DDAARM CO[C@@H](C(=O)Nc1cc(C)nn1CC(=O)[O-])c1ccccc1 ZINC000952850570 775573398 /nfs/dbraw/zinc/57/33/98/775573398.db2.gz ZDGZYJCBIGQKOY-CQSZACIVSA-N -1 0 303.318 1.602 50 0 DDAARM CCCn1cc([N-]S(=O)(=O)c2n[nH]c3ncccc32)cn1 ZINC000952882844 775639847 /nfs/dbraw/zinc/63/98/47/775639847.db2.gz KLNGQVUFFUDTAN-UHFFFAOYSA-N -1 0 306.351 1.365 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cnn(C(C)C)c1)C(=O)[O-] ZINC000095498295 185374531 /nfs/dbraw/zinc/37/45/31/185374531.db2.gz WWCHEZIBVFBFDR-LBPRGKRZSA-N -1 0 305.338 1.360 50 0 DDAARM Cc1nc(CC(=O)N(CC(=O)[O-])C2CCOCC2)c(C)s1 ZINC000563624034 303965830 /nfs/dbraw/zinc/96/58/30/303965830.db2.gz LDRDOAKNHHFOLF-UHFFFAOYSA-N -1 0 312.391 1.395 50 0 DDAARM CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1C(C)(C)C ZINC000236600635 201933056 /nfs/dbraw/zinc/93/30/56/201933056.db2.gz BZKRZZBYSJSRHW-CYBMUJFWSA-N -1 0 323.393 1.687 50 0 DDAARM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263270379 282492114 /nfs/dbraw/zinc/49/21/14/282492114.db2.gz LWWUNWZVORBUIK-CHWSQXEVSA-N -1 0 321.377 1.841 50 0 DDAARM Cn1cnnc1C1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000070638988 190909023 /nfs/dbraw/zinc/90/90/23/190909023.db2.gz DGCJKHLBGZEVHJ-OLZOCXBDSA-N -1 0 320.393 1.412 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1nnc2ccccc21 ZINC000072230672 191078052 /nfs/dbraw/zinc/07/80/52/191078052.db2.gz QXQCDLXURJUKKR-CQSZACIVSA-N -1 0 324.340 1.243 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000237461306 186292984 /nfs/dbraw/zinc/29/29/84/186292984.db2.gz QAVMEHHWYLQBMQ-JDNHERCYSA-N -1 0 307.394 1.585 50 0 DDAARM CSCC[C@H](NC(=O)CN1CCc2ccccc2C1)C(=O)[O-] ZINC000033461693 352290749 /nfs/dbraw/zinc/29/07/49/352290749.db2.gz SRIRDHRTIJZNCR-AWEZNQCLSA-N -1 0 322.430 1.367 50 0 DDAARM CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000001576103 180874834 /nfs/dbraw/zinc/87/48/34/180874834.db2.gz RWAYODJQGJVQGX-BXUZGUMPSA-N -1 0 322.361 1.528 50 0 DDAARM CCCCOC(=O)C[C@H](C(=O)OCCCC)S(=O)(=O)[O-] ZINC000001606079 180877707 /nfs/dbraw/zinc/87/77/07/180877707.db2.gz YPDHMBTYUUZFOA-SNVBAGLBSA-N -1 0 310.368 1.320 50 0 DDAARM CC(=O)N[C@H](CCCNC(=S)NC1CCCCC1)C(=O)[O-] ZINC000002814281 180961342 /nfs/dbraw/zinc/96/13/42/180961342.db2.gz XSDDPDWIMJYAAU-GFCCVEGCSA-N -1 0 315.439 1.153 50 0 DDAARM O=C([O-])[C@@H](c1ccsc1)N1CCN(c2ncccn2)CC1 ZINC000095365794 353913078 /nfs/dbraw/zinc/91/30/78/353913078.db2.gz BGMUOYFVZOWWHS-GFCCVEGCSA-N -1 0 304.375 1.486 50 0 DDAARM COc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)c1 ZINC000003881812 181052503 /nfs/dbraw/zinc/05/25/03/181052503.db2.gz WDXKXEGGFYAZRU-NFFDBFGFSA-N -1 0 301.298 1.066 50 0 biogenic DDAARM Cc1nn(C)c(C)c1CC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000179193507 354262451 /nfs/dbraw/zinc/26/24/51/354262451.db2.gz KRUFFSHKARLIGK-UHFFFAOYSA-N -1 0 307.394 1.731 50 0 DDAARM NS(=O)(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000004333837 181099134 /nfs/dbraw/zinc/09/91/34/181099134.db2.gz UAFGLLIOVKMJSB-UHFFFAOYSA-N -1 0 320.326 1.285 50 0 DDAARM Cc1nc(S(=O)(=O)[N-]c2cc(-c3ccccc3)nn2C)c[nH]1 ZINC000004334733 181099581 /nfs/dbraw/zinc/09/95/81/181099581.db2.gz WEMAAAPXHAIITO-UHFFFAOYSA-N -1 0 317.374 1.919 50 0 DDAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)NCC(=O)[O-] ZINC000004652443 181131946 /nfs/dbraw/zinc/13/19/46/181131946.db2.gz OXZRZBDZXSECAQ-UHFFFAOYSA-N -1 0 319.313 1.243 50 0 DDAARM COc1cc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C)cc(OC)c1OC ZINC000387121261 354633387 /nfs/dbraw/zinc/63/33/87/354633387.db2.gz ZAMKPCSFAJVUMD-ZANVPECISA-N -1 0 309.318 1.316 50 0 DDAARM O=c1cc([O-])c2sc(SCCN3CCOCC3)nc2[nH]1 ZINC000004945737 181177900 /nfs/dbraw/zinc/17/79/00/181177900.db2.gz SBLISYNTCXUOMX-UHFFFAOYSA-N -1 0 313.404 1.115 50 0 DDAARM CN(CC(=O)[O-])C(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000237134649 202162014 /nfs/dbraw/zinc/16/20/14/202162014.db2.gz WCCDLOAPKVTSRF-UHFFFAOYSA-N -1 0 311.769 1.494 50 0 DDAARM C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C(=O)[O-] ZINC000237376024 202248930 /nfs/dbraw/zinc/24/89/30/202248930.db2.gz NSGGPHUXWHGLMV-ZYHUDNBSSA-N -1 0 322.336 1.267 50 0 DDAARM Cc1cccc2[nH]cc(CC(=O)N3CCO[C@H](C(=O)[O-])C3)c21 ZINC000237736509 202341750 /nfs/dbraw/zinc/34/17/50/202341750.db2.gz IJOPVJZUNMCSIR-ZDUSSCGKSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237738767 202342353 /nfs/dbraw/zinc/34/23/53/202342353.db2.gz LGDWKSXCLGJQPE-ZDUSSCGKSA-N -1 0 321.362 1.173 50 0 DDAARM Cc1cc2ccccc2n1CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237811987 202360771 /nfs/dbraw/zinc/36/07/71/202360771.db2.gz IIDSSNVGCISCNO-AWEZNQCLSA-N -1 0 316.357 1.652 50 0 DDAARM Cc1cc2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)oc2cc1C ZINC000237905067 202386659 /nfs/dbraw/zinc/38/66/59/202386659.db2.gz QUYQBFRLBMNJCD-AWEZNQCLSA-N -1 0 303.314 1.975 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c[nH]1 ZINC000006779750 181386519 /nfs/dbraw/zinc/38/65/19/181386519.db2.gz ULXIOASYJSAAIJ-UHFFFAOYSA-N -1 0 322.342 1.805 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2c[nH]c(=O)c(Cl)c2)C[C@H]1C1CC1 ZINC000091625841 193081341 /nfs/dbraw/zinc/08/13/41/193081341.db2.gz PBULXVWCHMXKDV-VHSXEESVSA-N -1 0 310.737 1.211 50 0 DDAARM COc1ccc(-c2cc(C(=O)[O-])n3ncnc3n2)c(OC)c1 ZINC000008342590 181550836 /nfs/dbraw/zinc/55/08/36/181550836.db2.gz FAVVLAZRUXQSHP-UHFFFAOYSA-N -1 0 300.274 1.507 50 0 DDAARM O=C([O-])C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1 ZINC000013267574 181840857 /nfs/dbraw/zinc/84/08/57/181840857.db2.gz PBJPZEUMAHZSNN-UHFFFAOYSA-N -1 0 301.339 1.892 50 0 DDAARM COc1ccc(F)c(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c1 ZINC000097259251 193701154 /nfs/dbraw/zinc/70/11/54/193701154.db2.gz PLMOVQIJNLTQHJ-AWEZNQCLSA-N -1 0 305.309 1.569 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000015777575 182016317 /nfs/dbraw/zinc/01/63/17/182016317.db2.gz VIUZTCGGDDPBLW-UHFFFAOYSA-N -1 0 316.180 1.983 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000069628430 304176082 /nfs/dbraw/zinc/17/60/82/304176082.db2.gz RCMSONRCGLEUEM-NEPJUHHUSA-N -1 0 300.314 1.536 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000088373418 304200469 /nfs/dbraw/zinc/20/04/69/304200469.db2.gz GGVFXBGDJHMIIA-SNVBAGLBSA-N -1 0 303.236 1.631 50 0 DDAARM O=C([O-])COc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000041538852 183200302 /nfs/dbraw/zinc/20/03/02/183200302.db2.gz CMGHAFCKCFKLQU-UHFFFAOYSA-N -1 0 307.327 1.951 50 0 DDAARM Cn1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c2ccccc21 ZINC000043509657 183368900 /nfs/dbraw/zinc/36/89/00/183368900.db2.gz CCNQESLBCKZIQX-HNNXBMFYSA-N -1 0 304.371 1.868 50 0 DDAARM CC(C)(C)n1cnc(C(=O)NCCc2ccc(C(=O)[O-])cc2)n1 ZINC000567355501 304214478 /nfs/dbraw/zinc/21/44/78/304214478.db2.gz BDDUXJKZOSQPMF-UHFFFAOYSA-N -1 0 316.361 1.704 50 0 DDAARM C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000106149775 194186992 /nfs/dbraw/zinc/18/69/92/194186992.db2.gz PVGVAUGOXMGBOO-PRDAAYKISA-N -1 0 309.387 1.918 50 0 DDAARM Cc1cc(C(=O)OCC(=O)[N-]OCc2ccccc2)n(C)n1 ZINC000062508465 184240666 /nfs/dbraw/zinc/24/06/66/184240666.db2.gz HTXPFRHCSDCPLS-UHFFFAOYSA-N -1 0 303.318 1.133 50 0 DDAARM Cc1nnc(-c2cc(N3C[C@H](C(=O)[O-])CC3=O)ccc2O)o1 ZINC000065386009 184333432 /nfs/dbraw/zinc/33/34/32/184333432.db2.gz XZUOKZNOLBJCTP-MRVPVSSYSA-N -1 0 303.274 1.188 50 0 DDAARM O=c1cc(C(F)(F)F)[n-]n1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000100927722 256566387 /nfs/dbraw/zinc/56/63/87/256566387.db2.gz MCVHLQMDTMEGGN-UHFFFAOYSA-N -1 0 322.246 1.935 50 0 DDAARM Cc1ccc(CNC(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)o1 ZINC000218585125 257274154 /nfs/dbraw/zinc/27/41/54/257274154.db2.gz PGKRZXXYTVVPIO-MRXNPFEDSA-N -1 0 322.361 1.498 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000071280944 257253812 /nfs/dbraw/zinc/25/38/12/257253812.db2.gz OWISLOOEQCSIFW-QWRGUYRKSA-N -1 0 319.296 1.097 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)cc1 ZINC000021171529 134651523 /nfs/dbraw/zinc/65/15/23/134651523.db2.gz UEVMYCJQHPSCIQ-UHFFFAOYSA-N -1 0 312.391 1.238 50 0 DDAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)COc1ccccc1 ZINC000000123511 406622396 /nfs/dbraw/zinc/62/23/96/406622396.db2.gz HSYAGHIHFNRDNL-OAHLLOKOSA-N -1 0 315.325 1.583 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1cccc(I)c1 ZINC000000207235 406631138 /nfs/dbraw/zinc/63/11/38/406631138.db2.gz IGUVMXTXEXBYJY-SNAWJCMRSA-N -1 0 317.082 1.871 50 0 DDAARM COc1ccccc1CNC(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000002102403 406681209 /nfs/dbraw/zinc/68/12/09/406681209.db2.gz RUKQOLMGYIRNOZ-NSHDSACASA-N -1 0 312.391 1.701 50 0 biogenic DDAARM O=C([O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 ZINC000000335827 406640064 /nfs/dbraw/zinc/64/00/64/406640064.db2.gz MCASYZDFQLNASI-UXBLZVDNSA-N -1 0 301.254 1.864 50 0 DDAARM O=C([O-])CCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000000369480 406642303 /nfs/dbraw/zinc/64/23/03/406642303.db2.gz DKBPTWZPXAQOKG-UHFFFAOYSA-N -1 0 312.119 1.910 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC000003412902 406720677 /nfs/dbraw/zinc/72/06/77/406720677.db2.gz ATFRGLNGURZGBY-UHFFFAOYSA-N -1 0 312.391 1.625 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000008481121 406788775 /nfs/dbraw/zinc/78/87/75/406788775.db2.gz MTODZIVDZDTPKB-HZMBPMFUSA-N -1 0 317.345 1.012 50 0 DDAARM CCCc1cc(=O)n2nc(NC(=O)Cc3ccccc3)[n-]c2n1 ZINC000009058933 406802651 /nfs/dbraw/zinc/80/26/51/406802651.db2.gz ILSFBZNZKAIDQS-UHFFFAOYSA-N -1 0 311.345 1.964 50 0 DDAARM CCOC(=O)CSc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000009483033 406808999 /nfs/dbraw/zinc/80/89/99/406808999.db2.gz ACEQMBSIBANWKQ-UHFFFAOYSA-N -1 0 305.359 1.411 50 0 DDAARM CC(C)c1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1 ZINC000012797004 406853097 /nfs/dbraw/zinc/85/30/97/406853097.db2.gz SRTUURMYSWJTMZ-UHFFFAOYSA-N -1 0 301.346 1.689 50 0 DDAARM COC(=O)c1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)cc1 ZINC000071893682 406862568 /nfs/dbraw/zinc/86/25/68/406862568.db2.gz DNCYLPIOIXPQST-UHFFFAOYSA-N -1 0 323.308 1.962 50 0 DDAARM NC(=O)c1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000071922012 406867770 /nfs/dbraw/zinc/86/77/70/406867770.db2.gz FPSKFZRODROERS-UHFFFAOYSA-N -1 0 311.750 1.635 50 0 DDAARM COC(=O)C[C@@H](NC(=O)CCC(=O)[O-])c1cc(C)ccc1C ZINC000013943508 406868550 /nfs/dbraw/zinc/86/85/50/406868550.db2.gz KAACLHDCJDQOEA-CYBMUJFWSA-N -1 0 307.346 1.889 50 0 DDAARM Cc1nn(-c2ccc(F)cc2)c2c1c(=O)c(C(=O)[O-])cn2C ZINC000021729440 406889629 /nfs/dbraw/zinc/88/96/29/406889629.db2.gz WSQLIEMGQMCDED-UHFFFAOYSA-N -1 0 301.277 1.870 50 0 DDAARM C[C@]12CCC(=O)N1[C@@H](C(=O)[N-]OCc1ccccc1)CS2 ZINC000025286512 406896054 /nfs/dbraw/zinc/89/60/54/406896054.db2.gz ONAVIPQHPCMDES-DOMZBBRYSA-N -1 0 306.387 1.688 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000034926328 406965257 /nfs/dbraw/zinc/96/52/57/406965257.db2.gz JNDLTSPAFDKPHR-KBPBESRZSA-N -1 0 320.364 1.831 50 0 DDAARM COc1c2c(cc([C@H]3ON=C(C(=O)[O-])[C@H]3C)c1OC)OCO2 ZINC000035327402 406972128 /nfs/dbraw/zinc/97/21/28/406972128.db2.gz ITGBMRBTMORXHR-LDWIPMOCSA-N -1 0 309.274 1.581 50 0 DDAARM O=S(=O)([N-]c1ccc2nncn2n1)c1ccc(Cl)cc1 ZINC000033277218 406961084 /nfs/dbraw/zinc/96/10/84/406961084.db2.gz NSPZDDDCRHVBOK-UHFFFAOYSA-N -1 0 309.738 1.579 50 0 DDAARM Cc1n[n-]c(N2CCN(c3cccc(Cl)c3)CC2)nc1=O ZINC000041603444 407009472 /nfs/dbraw/zinc/00/94/72/407009472.db2.gz FEYZARWBKFLFOK-UHFFFAOYSA-N -1 0 305.769 1.453 50 0 DDAARM CC(C)(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000040910589 407005568 /nfs/dbraw/zinc/00/55/68/407005568.db2.gz RQIJVUBQVWQBBS-UHFFFAOYSA-N -1 0 311.281 1.847 50 0 DDAARM O=C([O-])c1cc(C2CC2)nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 ZINC000047218867 407072061 /nfs/dbraw/zinc/07/20/61/407072061.db2.gz BQNZTMUWSWSUIN-UHFFFAOYSA-N -1 0 323.308 1.650 50 0 DDAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cnc2N)c1 ZINC000089580191 407141185 /nfs/dbraw/zinc/14/11/85/407141185.db2.gz NIMXGXKFYKSHLT-UHFFFAOYSA-N -1 0 305.359 1.976 50 0 DDAARM Cc1ccc(-n2[n-]c(C(=O)N3CCSCC3)cc2=O)cc1 ZINC000089642651 407143342 /nfs/dbraw/zinc/14/33/42/407143342.db2.gz KTWLLRLLEMRCBW-UHFFFAOYSA-N -1 0 303.387 1.663 50 0 DDAARM NC(=O)Cc1csc([N-]S(=O)(=O)/C=C\c2ccccc2)n1 ZINC000096298192 407258595 /nfs/dbraw/zinc/25/85/95/407258595.db2.gz UMLMYFJZOBZSOP-SREVYHEPSA-N -1 0 323.399 1.584 50 0 DDAARM CC(=O)NCc1ccc(NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000095969727 407218598 /nfs/dbraw/zinc/21/85/98/407218598.db2.gz ZFUNHPUVTNQOGW-UHFFFAOYSA-N -1 0 313.313 1.668 50 0 DDAARM CCC(=O)c1ccc(OCC(=O)N(CCOC)CC(=O)[O-])cc1 ZINC000095969823 407218681 /nfs/dbraw/zinc/21/86/81/407218681.db2.gz ROVYBZKSQJXSIF-UHFFFAOYSA-N -1 0 323.345 1.218 50 0 DDAARM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095976987 407219738 /nfs/dbraw/zinc/21/97/38/407219738.db2.gz PVXHEFWVKJKTBA-MRVPVSSYSA-N -1 0 320.284 1.267 50 0 DDAARM Cc1cc(=O)n2nc(NC(=O)c3ccccc3Cl)[n-]c2n1 ZINC000101011649 407308713 /nfs/dbraw/zinc/30/87/13/407308713.db2.gz LZNQNQOKHHYDIB-UHFFFAOYSA-N -1 0 303.709 1.632 50 0 DDAARM Cc1noc(C)c1C[C@@H](C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000124379662 407357006 /nfs/dbraw/zinc/35/70/06/407357006.db2.gz OTJBTDJIHIAGSL-SSDOTTSWSA-N -1 0 323.374 1.941 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]c2cncnc2-n2cccn2)c(C)o1 ZINC000127242512 407432015 /nfs/dbraw/zinc/43/20/15/407432015.db2.gz WUYASALFVGCBBJ-UHFFFAOYSA-N -1 0 319.346 1.673 50 0 DDAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2nnc(C(C)C)o2)c1 ZINC000195571759 407468096 /nfs/dbraw/zinc/46/80/96/407468096.db2.gz KZVRNUYVWGWYJU-UHFFFAOYSA-N -1 0 313.383 1.846 50 0 DDAARM C[N@H+](CCN1CCCCC1=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000215904617 407489188 /nfs/dbraw/zinc/48/91/88/407489188.db2.gz ZCCQXNBLNQBPNX-UHFFFAOYSA-N -1 0 314.393 1.311 50 0 DDAARM CCS(=O)(=O)CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170642129 407459532 /nfs/dbraw/zinc/45/95/32/407459532.db2.gz NHWFRCJWJCRQHC-UHFFFAOYSA-N -1 0 314.388 1.281 50 0 DDAARM CCOCCCOC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000170630759 407459984 /nfs/dbraw/zinc/45/99/84/407459984.db2.gz LVDPQFCVZZJTKR-UHFFFAOYSA-N -1 0 322.386 1.806 50 0 DDAARM C/C(=C/C(=O)[N-]S(=O)(=O)c1cnccn1)c1ccc(F)cc1 ZINC000152362508 407618547 /nfs/dbraw/zinc/61/85/47/407618547.db2.gz NGCAWJWICNJZKV-NTMALXAHSA-N -1 0 321.333 1.524 50 0 DDAARM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000236574117 407727181 /nfs/dbraw/zinc/72/71/81/407727181.db2.gz OOHYQHJCSCBNLQ-JHJVBQTASA-N -1 0 324.421 1.783 50 0 DDAARM COc1ccc(-c2nc(C(=O)N(C)CC(=O)[O-])c(C)o2)cc1 ZINC000153097619 407754225 /nfs/dbraw/zinc/75/42/25/407754225.db2.gz ZHXJUJFRQKNKCO-UHFFFAOYSA-N -1 0 304.302 1.815 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c(F)c1 ZINC000262324519 407799694 /nfs/dbraw/zinc/79/96/94/407799694.db2.gz DCGDPGATDGGUSW-NSHDSACASA-N -1 0 319.354 1.612 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)COCCOc1ccccc1 ZINC000262580005 407875464 /nfs/dbraw/zinc/87/54/64/407875464.db2.gz QBNPLCFPOKGTPB-CQSZACIVSA-N -1 0 307.346 1.548 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1 ZINC000238195771 407895358 /nfs/dbraw/zinc/89/53/58/407895358.db2.gz DZGPJFWFIWAHNQ-CQSZACIVSA-N -1 0 316.357 1.734 50 0 DDAARM O=C(CCc1ccncc1)[N-]S(=O)(=O)c1ncccc1F ZINC000240551371 407905611 /nfs/dbraw/zinc/90/56/11/407905611.db2.gz GTEMZUZNPHJZMA-UHFFFAOYSA-N -1 0 309.322 1.053 50 0 DDAARM COc1nc(C)ccc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262825718 407947421 /nfs/dbraw/zinc/94/74/21/407947421.db2.gz QJUHVPGBNCUHHH-UHFFFAOYSA-N -1 0 318.333 1.667 50 0 DDAARM COc1cc(Cl)cc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c1OC ZINC000243902039 407921681 /nfs/dbraw/zinc/92/16/81/407921681.db2.gz BFHHCTVYJHTYAW-MNOVXSKESA-N -1 0 315.753 1.377 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2c1 ZINC000263218645 408061394 /nfs/dbraw/zinc/06/13/94/408061394.db2.gz YGVUGZGGBPDSPK-CYBMUJFWSA-N -1 0 304.302 1.102 50 0 DDAARM C[C@H]1CCCN(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)C1 ZINC000154752305 408077532 /nfs/dbraw/zinc/07/75/32/408077532.db2.gz HZZCJGFDBLAMNP-NSHDSACASA-N -1 0 312.391 1.798 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1nnc(-c2ccccc2)s1 ZINC000191658610 408465485 /nfs/dbraw/zinc/46/54/85/408465485.db2.gz XCECXMQUNDNANL-VHSXEESVSA-N -1 0 303.343 1.542 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])nc1 ZINC000265298162 408606858 /nfs/dbraw/zinc/60/68/58/408606858.db2.gz JAWDYSORCRPCNN-BIMULSAOSA-N -1 0 317.345 1.038 50 0 DDAARM Cc1cc(C)c(N2C[C@H](C(=O)NCC(=O)[O-])CC2=O)c(C)c1 ZINC000178185193 408784209 /nfs/dbraw/zinc/78/42/09/408784209.db2.gz AMJDZMOWRPFESG-GFCCVEGCSA-N -1 0 304.346 1.166 50 0 DDAARM COCc1nc(C(=O)[N-]S(=O)(=O)CC2CCC2)cs1 ZINC000164945460 408806480 /nfs/dbraw/zinc/80/64/80/408806480.db2.gz HHBIUERMQGSKIH-UHFFFAOYSA-N -1 0 304.393 1.149 50 0 DDAARM COc1ccc(OCCN2CCCC[C@H]2c2nc(=O)[nH][nH]2)cc1 ZINC000289372699 409255597 /nfs/dbraw/zinc/25/55/97/409255597.db2.gz PHZNNYQSPGEDGL-AWEZNQCLSA-N -1 0 318.377 1.713 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)n1 ZINC000647780915 423045176 /nfs/dbraw/zinc/04/51/76/423045176.db2.gz SXUVBWNGDULMRT-BDAKNGLRSA-N -1 0 322.271 1.383 50 0 DDAARM C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccc(Cl)nc2)CCCO1 ZINC000120818546 418503680 /nfs/dbraw/zinc/50/36/80/418503680.db2.gz QJROVGSMAKCIFZ-LBPRGKRZSA-N -1 0 318.782 1.250 50 0 DDAARM C[C@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@H](C(=O)[O-])CC1=O ZINC000048265694 418468124 /nfs/dbraw/zinc/46/81/24/418468124.db2.gz BQYUCPIHNCPPQJ-BXKDBHETSA-N -1 0 302.330 1.565 50 0 DDAARM O=C([O-])CCN(C(=O)c1scnc1Cl)C1CCOCC1 ZINC000408513308 418806081 /nfs/dbraw/zinc/80/60/81/418806081.db2.gz OGKKQKSBQMJIOK-UHFFFAOYSA-N -1 0 318.782 1.892 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1cnccn1 ZINC000426421305 228570923 /nfs/dbraw/zinc/57/09/23/228570923.db2.gz SKLWSYAJFJPTHE-HNNXBMFYSA-N -1 0 311.341 1.447 50 0 DDAARM C[C@@H](CN(C(=O)c1ccn(C2CCOCC2)n1)C1CC1)C(=O)[O-] ZINC000630156910 421925440 /nfs/dbraw/zinc/92/54/40/421925440.db2.gz JNTNQVITUKCPAJ-NSHDSACASA-N -1 0 321.377 1.560 50 0 DDAARM Cc1cc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)cnn1 ZINC000630191618 421949538 /nfs/dbraw/zinc/94/95/38/421949538.db2.gz UNAOZPNXVUPDBU-NSHDSACASA-N -1 0 315.329 1.739 50 0 DDAARM CC(C)Cn1c2nnc(CCC(=O)[O-])n2c2ccsc2c1=O ZINC000575606040 422303936 /nfs/dbraw/zinc/30/39/36/422303936.db2.gz ACHXSVZXJSTWIJ-UHFFFAOYSA-N -1 0 320.374 1.779 50 0 DDAARM O=C(N=c1ccc(C2CC2)n[n-]1)NCCCO[C@H]1CCCCO1 ZINC000585119411 422306681 /nfs/dbraw/zinc/30/66/81/422306681.db2.gz GTXVYHSVWWFJAB-HNNXBMFYSA-N -1 0 320.393 1.831 50 0 DDAARM COc1ccccc1/C(C)=C\C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000606442015 422458905 /nfs/dbraw/zinc/45/89/05/422458905.db2.gz KSGOARUBRAMAGC-FUWURINLSA-N -1 0 305.330 1.411 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(C(F)F)cc1F ZINC000655540701 424554237 /nfs/dbraw/zinc/55/42/37/424554237.db2.gz JSBTYEUMVFOXHT-JTQLQIEISA-N -1 0 303.236 1.689 50 0 DDAARM CCc1ocnc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000095969913 288670199 /nfs/dbraw/zinc/67/01/99/288670199.db2.gz NSNCSWCZHHYVGY-GFCCVEGCSA-N -1 0 300.314 1.889 50 0 DDAARM COc1ccc2oc(C)c(C(=O)N3CCOC[C@@H]3C(=O)[O-])c2c1 ZINC000299753930 295280407 /nfs/dbraw/zinc/28/04/07/295280407.db2.gz ZUZZVBZDGWUPHZ-GFCCVEGCSA-N -1 0 319.313 1.675 50 0 DDAARM N=c1[n-]nc(CNC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)o1 ZINC000333245532 303233951 /nfs/dbraw/zinc/23/39/51/303233951.db2.gz FRTXRDNGVWYKCW-SZLYAYFLSA-N -1 0 318.299 1.713 50 0 DDAARM COC[C@H]1CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCO1 ZINC000073972800 483946283 /nfs/dbraw/zinc/94/62/83/483946283.db2.gz JPMNWOYRSHDHLV-SNVBAGLBSA-N -1 0 308.359 1.978 50 0 DDAARM O=C([O-])CN(C(=O)Cc1ccc2c(c1)CCC2)C1CCOCC1 ZINC000299741695 534499557 /nfs/dbraw/zinc/49/95/57/534499557.db2.gz AEZCIULEEZKLQJ-UHFFFAOYSA-N -1 0 317.385 1.810 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2noc(C3CCC3)n2)C1 ZINC000426395469 534522648 /nfs/dbraw/zinc/52/26/48/534522648.db2.gz YDPHITXKQOPPFI-WDEREUQCSA-N -1 0 307.350 1.497 50 0 DDAARM Cn1cc(Br)cc1C(=O)N=c1nc2n([n-]1)CCCC2 ZINC000331743463 534727089 /nfs/dbraw/zinc/72/70/89/534727089.db2.gz BSUWYBREYKCJCR-UHFFFAOYSA-N -1 0 324.182 1.390 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299752026 534858034 /nfs/dbraw/zinc/85/80/34/534858034.db2.gz SKJHVYMHGCLGLT-CQSZACIVSA-N -1 0 323.393 1.010 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492137534 528401052 /nfs/dbraw/zinc/40/10/52/528401052.db2.gz KDKCIWTXEJXDHL-XQRVVYSFSA-N -1 0 305.330 1.794 50 0 DDAARM CCNc1nc(C)c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])s1 ZINC000299791045 528441350 /nfs/dbraw/zinc/44/13/50/528441350.db2.gz CZUJBIWHANYTKQ-VIFPVBQESA-N -1 0 313.379 1.199 50 0 DDAARM CCOc1ccccc1/C=C/C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000314932505 528703506 /nfs/dbraw/zinc/70/35/06/528703506.db2.gz KWCNJYGKUBTWEC-NPQIQWPPSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccncc1Cl)C(=O)[O-] ZINC000067819969 696364452 /nfs/dbraw/zinc/36/44/52/696364452.db2.gz HABARLSDNMULLE-LLVKDONJSA-N -1 0 308.725 1.631 50 0 DDAARM O=C([O-])c1cn2c(n1)[C@H](c1ccccc1)N(C(=O)C1CC1)CC2 ZINC000675014236 737518340 /nfs/dbraw/zinc/51/83/40/737518340.db2.gz GJJDIDWLKDEWQX-AWEZNQCLSA-N -1 0 311.341 1.923 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1)CCc1ccccc1 ZINC000584908061 771884392 /nfs/dbraw/zinc/88/43/92/771884392.db2.gz UKKOPQWQLLOYMC-HFBDAHEESA-N -1 0 303.358 1.878 50 0 DDAARM O=C([O-])c1ccc(NC(=O)NCCSc2c[nH]nn2)cc1 ZINC000952869510 775601123 /nfs/dbraw/zinc/60/11/23/775601123.db2.gz UCSKFCKANCEHKT-UHFFFAOYSA-N -1 0 307.335 1.417 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H](n2ccnn2)C1 ZINC000685940875 539564309 /nfs/dbraw/zinc/56/43/09/539564309.db2.gz YLSVQPONBGAXFN-RTXFEEFZSA-N -1 0 318.377 1.379 50 0 DDAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)onc2N)cc1 ZINC000072240862 191084562 /nfs/dbraw/zinc/08/45/62/191084562.db2.gz GZAAGQGMBLAMNQ-UHFFFAOYSA-N -1 0 310.335 1.324 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000237506605 186298814 /nfs/dbraw/zinc/29/88/14/186298814.db2.gz QAVMEHHWYLQBMQ-XXFAHNHDSA-N -1 0 307.394 1.585 50 0 DDAARM Cn1c(=O)c(C2=NN[C@H](c3cccc(O)c3)C2)c([O-])[nH]c1=S ZINC000015834745 352156876 /nfs/dbraw/zinc/15/68/76/352156876.db2.gz MIWKUABLTLAQHD-VIFPVBQESA-N -1 0 318.358 1.293 50 0 DDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1OC ZINC000001428590 180865566 /nfs/dbraw/zinc/86/55/66/180865566.db2.gz JVILQOBMSVLQFB-UHFFFAOYSA-N -1 0 311.363 1.547 50 0 DDAARM O=C([O-])C1=NN(c2ccccc2)c2ncccc2S1(=O)=O ZINC000096511609 304036375 /nfs/dbraw/zinc/03/63/75/304036375.db2.gz CVDPBQSWWLJILF-UHFFFAOYSA-N -1 0 303.299 1.405 50 0 DDAARM CC(C)OCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000139216704 354125845 /nfs/dbraw/zinc/12/58/45/354125845.db2.gz OMBDUWNWYSAEAB-AWEZNQCLSA-N -1 0 304.346 1.705 50 0 DDAARM CCC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000004746086 181146845 /nfs/dbraw/zinc/14/68/45/181146845.db2.gz OLHSFTOZKYYZBC-LBPRGKRZSA-N -1 0 314.363 1.177 50 0 DDAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1cnn(C)c1)C(=O)[O-] ZINC000097017816 295889414 /nfs/dbraw/zinc/88/94/14/295889414.db2.gz SOTDIVVTCHIIFI-LBPRGKRZSA-N -1 0 301.346 1.783 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000237173524 202175392 /nfs/dbraw/zinc/17/53/92/202175392.db2.gz JHNASBWXEFANPR-VIIAAUOXSA-N -1 0 316.357 1.383 50 0 DDAARM Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+]([C@@H](C)C(=O)[O-])CC1 ZINC000237553779 202281923 /nfs/dbraw/zinc/28/19/23/202281923.db2.gz FUMSUPDDMUFGQK-UONOGXRCSA-N -1 0 320.389 1.380 50 0 DDAARM C[C@H](CN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)C1CC1)C(=O)[O-] ZINC000237612216 202304467 /nfs/dbraw/zinc/30/44/67/202304467.db2.gz FEHAPPKXQCXCIQ-NEPJUHHUSA-N -1 0 322.405 1.489 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000237661947 202322023 /nfs/dbraw/zinc/32/20/23/202322023.db2.gz RKQHEMJZIBZMQT-QGZVFWFLSA-N -1 0 313.357 1.868 50 0 DDAARM Cc1cc(F)cc2[nH]c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc21 ZINC000237662844 202322363 /nfs/dbraw/zinc/32/23/63/202322363.db2.gz HPALUXOAGXJMSK-CYBMUJFWSA-N -1 0 306.293 1.541 50 0 DDAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)C2 ZINC000237900354 202383936 /nfs/dbraw/zinc/38/39/36/202383936.db2.gz HZDUSNWGBBDWMC-PBHICJAKSA-N -1 0 303.358 1.976 50 0 DDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000013321007 304097534 /nfs/dbraw/zinc/09/75/34/304097534.db2.gz MYYRWUZHEGZZRY-NWINJMCUSA-N -1 0 323.389 1.489 50 0 DDAARM O=C([O-])C1(NC(=O)CC2Cc3ccccc3C2)CCOCC1 ZINC000244773845 202494990 /nfs/dbraw/zinc/49/49/90/202494990.db2.gz PHTWVQPCTDLNKX-UHFFFAOYSA-N -1 0 303.358 1.542 50 0 DDAARM COc1ccc2[nH]cc(Cc3c([O-])n(C)c(=O)n(C)c3=O)c2c1 ZINC000006638286 181363931 /nfs/dbraw/zinc/36/39/31/181363931.db2.gz HCPABPRTIUHIOH-UHFFFAOYSA-N -1 0 315.329 1.386 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2)cn1C ZINC000006777647 181386552 /nfs/dbraw/zinc/38/65/52/181386552.db2.gz MAHOXFKUFFXFKW-UHFFFAOYSA-N -1 0 324.358 1.621 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(Cc2nnc(C3CC3)o2)C1 ZINC000092019395 193143093 /nfs/dbraw/zinc/14/30/93/193143093.db2.gz NIEQOEKDPRELAP-OAHLLOKOSA-N -1 0 309.366 1.650 50 0 DDAARM Cc1ccc(C)c(OCCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000262143649 203209927 /nfs/dbraw/zinc/20/99/27/203209927.db2.gz MPOQDPSZGMJGQH-CYBMUJFWSA-N -1 0 307.346 1.384 50 0 DDAARM COc1ccc(CC(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1F ZINC000262195048 203227371 /nfs/dbraw/zinc/22/73/71/203227371.db2.gz TYBCMTWTBJQMFV-RNCFNFMXSA-N -1 0 311.309 1.077 50 0 DDAARM Cc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1NS(C)(=O)=O ZINC000262171047 203219185 /nfs/dbraw/zinc/21/91/85/203219185.db2.gz DIMZPQYRUJHCEP-UHFFFAOYSA-N -1 0 312.347 1.170 50 0 DDAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@]1(C)CCCO1 ZINC000262367456 203275541 /nfs/dbraw/zinc/27/55/41/203275541.db2.gz JOMAKHLGPZLHFE-INIZCTEOSA-N -1 0 307.346 1.678 50 0 DDAARM COc1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1F ZINC000262408204 203286052 /nfs/dbraw/zinc/28/60/52/203286052.db2.gz OXKBKAMMQPPTDT-LLVKDONJSA-N -1 0 317.338 1.462 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000262713202 203390830 /nfs/dbraw/zinc/39/08/30/203390830.db2.gz QHKINDBMZXGMFD-LBPRGKRZSA-N -1 0 320.736 1.610 50 0 DDAARM CNc1nc(C)cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000263394145 203462278 /nfs/dbraw/zinc/46/22/78/203462278.db2.gz FDLUGZMKUJUUAC-RTXFEEFZSA-N -1 0 318.377 1.685 50 0 DDAARM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)C(=O)[O-] ZINC000095970471 193466890 /nfs/dbraw/zinc/46/68/90/193466890.db2.gz GBUJOSVKZBRJJK-RYUDHWBXSA-N -1 0 304.346 1.219 50 0 DDAARM CS(=O)(=O)[N-]C(=O)/C=C\c1cc2c(c(Cl)c1)OCO2 ZINC000096295902 193610448 /nfs/dbraw/zinc/61/04/48/193610448.db2.gz BTZAQONVJVZCIK-IHWYPQMZSA-N -1 0 303.723 1.158 50 0 DDAARM Cc1nn(CC(=O)NC2CCCC2)c2nc(C)cc(C(=O)[O-])c12 ZINC000012396201 181756715 /nfs/dbraw/zinc/75/67/15/181756715.db2.gz DVMSLNCYKAXLGJ-UHFFFAOYSA-N -1 0 316.361 1.805 50 0 DDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cs1 ZINC000016648364 182055404 /nfs/dbraw/zinc/05/54/04/182055404.db2.gz GWNPTVCNXSNNEJ-UHFFFAOYSA-N -1 0 317.779 1.696 50 0 DDAARM CC(C)CCNC(=O)c1nc(CSCCC(=O)[O-])no1 ZINC000034924987 182744652 /nfs/dbraw/zinc/74/46/52/182744652.db2.gz DEQGXLJOFUQUBF-UHFFFAOYSA-N -1 0 301.368 1.553 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000262401483 304200266 /nfs/dbraw/zinc/20/02/66/304200266.db2.gz AUTMNDVBGLTDKZ-GFCCVEGCSA-N -1 0 308.721 1.747 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)c1ccccc1C(F)(F)F ZINC000067789746 304202570 /nfs/dbraw/zinc/20/25/70/304202570.db2.gz WZSVTIFPZNLZRX-GZMMTYOYSA-N -1 0 317.263 1.756 50 0 DDAARM CC[C@@H](C)Oc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000102171517 193866082 /nfs/dbraw/zinc/86/60/82/193866082.db2.gz FLJWLKKWDHAGSC-BXKDBHETSA-N -1 0 315.333 1.834 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(Cl)cc2Cl)CCO1 ZINC000043700957 183382132 /nfs/dbraw/zinc/38/21/32/183382132.db2.gz PCPLQJVNDSKPMT-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907330 207075718 /nfs/dbraw/zinc/07/57/18/207075718.db2.gz PGDRMERWVYBVBD-OTYXRUKQSA-N -1 0 317.297 1.823 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000268938294 207103453 /nfs/dbraw/zinc/10/34/53/207103453.db2.gz QDWQBIKVUFLHNU-XPTSAGLGSA-N -1 0 317.301 1.135 50 0 DDAARM COc1ccccc1CCN1C(=O)N[C@@H](CCC(=O)[O-])C1=O ZINC000218714395 257260449 /nfs/dbraw/zinc/26/04/49/257260449.db2.gz QNKFCQQQRFQOLV-NSHDSACASA-N -1 0 306.318 1.023 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000128503625 195969178 /nfs/dbraw/zinc/96/91/78/195969178.db2.gz NGXMMJUEDRSMER-LBPRGKRZSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])c1ccccc1Nc1ccnc(N2CCOCC2)n1 ZINC000000075469 406618640 /nfs/dbraw/zinc/61/86/40/406618640.db2.gz VGXOHHLFMRANGE-UHFFFAOYSA-N -1 0 300.318 1.755 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000000186512 406629014 /nfs/dbraw/zinc/62/90/14/406629014.db2.gz VBVOTZYKYYEEMQ-GFCCVEGCSA-N -1 0 301.364 1.473 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000000246253 406633709 /nfs/dbraw/zinc/63/37/09/406633709.db2.gz GOWHUHLKBKFDKK-UHFFFAOYSA-N -1 0 305.739 1.059 50 0 DDAARM COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc(OC)c1OC ZINC000000466923 406650757 /nfs/dbraw/zinc/65/07/57/406650757.db2.gz CDGCIHIVBMFSRS-JTQLQIEISA-N -1 0 309.318 1.402 50 0 DDAARM COC(=O)c1c(C)oc2cc(S(=O)(=O)[O-])c(OC)cc21 ZINC000001866904 406680196 /nfs/dbraw/zinc/68/01/96/406680196.db2.gz CCYLUCXBESDFJR-UHFFFAOYSA-N -1 0 300.288 1.783 50 0 DDAARM O=C([O-])c1c(C(=O)Nc2ccccc2)sc2nncc(=O)n21 ZINC000006720416 406738596 /nfs/dbraw/zinc/73/85/96/406738596.db2.gz BMIVFNNBVMLUAD-UHFFFAOYSA-N -1 0 316.298 1.102 50 0 DDAARM CCC(NCc1ccc(Cl)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000006907262 406745500 /nfs/dbraw/zinc/74/55/00/406745500.db2.gz QHXSDPSUBJHVDK-UHFFFAOYSA-N -1 0 307.737 1.460 50 0 DDAARM O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccc(F)cc1 ZINC000009496196 406808472 /nfs/dbraw/zinc/80/84/72/406808472.db2.gz JEDCEJIWFSKNSI-UHFFFAOYSA-N -1 0 306.318 1.675 50 0 DDAARM Cc1ccc(-c2cc(C(=O)[O-])nn2[C@H]2CCS(=O)(=O)C2)cc1 ZINC000011801577 406830863 /nfs/dbraw/zinc/83/08/63/406830863.db2.gz PLNNWSWSDKVVIY-LBPRGKRZSA-N -1 0 320.370 1.916 50 0 DDAARM Cc1ccc(C(=O)[O-])c(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000011990931 406833282 /nfs/dbraw/zinc/83/32/82/406833282.db2.gz MLPPIKBOAGLDAR-SNVBAGLBSA-N -1 0 311.359 1.457 50 0 DDAARM C[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccncc1 ZINC000013072260 406858638 /nfs/dbraw/zinc/85/86/38/406858638.db2.gz HQIZPBUPJKBAEH-SNVBAGLBSA-N -1 0 306.343 1.819 50 0 DDAARM COc1ccc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000013170789 406859967 /nfs/dbraw/zinc/85/99/67/406859967.db2.gz QPUCEXBJXSOSNV-ZDUSSCGKSA-N -1 0 321.373 1.960 50 0 DDAARM CS(=O)(=O)CCSCc1nc(=O)c2sccc2[n-]1 ZINC000071884095 406860813 /nfs/dbraw/zinc/86/08/13/406860813.db2.gz KPDCQDIYRLHWMI-UHFFFAOYSA-N -1 0 304.418 1.262 50 0 DDAARM CCOC(=O)C1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000013624478 406864530 /nfs/dbraw/zinc/86/45/30/406864530.db2.gz QOIWASGSKDPLJK-QWHCGFSZSA-N -1 0 311.378 1.679 50 0 DDAARM COc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)ccc1O ZINC000013758870 406867859 /nfs/dbraw/zinc/86/78/59/406867859.db2.gz JYPGFVKSBHLKEF-YHYXMXQVSA-N -1 0 309.299 1.522 50 0 DDAARM CC[C@@H](C)NC(=O)Cn1cnc2cc(C(=O)[O-])ccc2c1=O ZINC000020004270 406886689 /nfs/dbraw/zinc/88/66/89/406886689.db2.gz QIPVNUNLODYQHP-SECBINFHSA-N -1 0 303.318 1.009 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000034926339 406965729 /nfs/dbraw/zinc/96/57/29/406965729.db2.gz WROYMWVTBFJMGA-CHWSQXEVSA-N -1 0 303.362 1.087 50 0 DDAARM Cc1n[nH]cc1S(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000078002121 407016341 /nfs/dbraw/zinc/01/63/41/407016341.db2.gz DBECSKXBMGXKDX-JTQLQIEISA-N -1 0 307.331 1.095 50 0 DDAARM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(Cl)cn1 ZINC000037436083 406989875 /nfs/dbraw/zinc/98/98/75/406989875.db2.gz KSFTZIQQVHVDAD-JTQLQIEISA-N -1 0 311.769 1.494 50 0 DDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NCc1ccco1 ZINC000095948611 407216302 /nfs/dbraw/zinc/21/63/02/407216302.db2.gz IVQHXGDTIPOFRX-UHFFFAOYSA-N -1 0 318.358 1.919 50 0 DDAARM C[C@H](CNC(=O)c1cc(F)cc2cccnc21)c1nnn[n-]1 ZINC000097377537 407292862 /nfs/dbraw/zinc/29/28/62/407292862.db2.gz MLRJPCMWDHVRLK-MRVPVSSYSA-N -1 0 300.297 1.421 50 0 DDAARM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[N-]OCc1ccccc1 ZINC000097601814 407300727 /nfs/dbraw/zinc/30/07/27/407300727.db2.gz LUCPJZNTDFUTBS-OKILXGFUSA-N -1 0 314.341 1.186 50 0 DDAARM COC(=O)CSc1nn2c([n-]1)nc(-c1ccccc1)cc2=O ZINC000100137572 407307347 /nfs/dbraw/zinc/30/73/47/407307347.db2.gz LGEFBAFSUZNUQI-UHFFFAOYSA-N -1 0 316.342 1.350 50 0 DDAARM CCC[C@@H](NC(=O)c1ccn(-c2ccccc2F)n1)C(=O)[O-] ZINC000195551776 407465027 /nfs/dbraw/zinc/46/50/27/407465027.db2.gz AKTUFVOJXKMCNH-GFCCVEGCSA-N -1 0 305.309 1.995 50 0 DDAARM CCCCCC(=O)[N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC ZINC000253425602 407444845 /nfs/dbraw/zinc/44/48/45/407444845.db2.gz VESBFTBWIHKIRW-NSHDSACASA-N -1 0 307.412 1.745 50 0 DDAARM COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])[nH]n2)cc1 ZINC000219632299 407532916 /nfs/dbraw/zinc/53/29/16/407532916.db2.gz IECDALSZJYZTGU-CQSZACIVSA-N -1 0 315.329 1.775 50 0 DDAARM CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cnccn2)C1(C)C ZINC000152294092 407603498 /nfs/dbraw/zinc/60/34/98/407603498.db2.gz DSVMKEVGKJRIHJ-PWSUYJOCSA-N -1 0 309.391 1.520 50 0 DDAARM COC(=O)[C@@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)c1ccoc1Cl ZINC000225789260 407606643 /nfs/dbraw/zinc/60/66/43/407606643.db2.gz BOLDGOANGCOWSL-BQBZGAKWSA-N -1 0 323.754 1.190 50 0 DDAARM O=C([O-])c1ccc(CCC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000238063694 407880546 /nfs/dbraw/zinc/88/05/46/407880546.db2.gz HKUITHAEPNIHNY-QGZVFWFLSA-N -1 0 303.358 1.956 50 0 DDAARM Cc1cccnc1CN1CCN(C(=O)CCCC(=O)[O-])CC1 ZINC000244601994 407928602 /nfs/dbraw/zinc/92/86/02/407928602.db2.gz DVUFHWRCZCGSID-UHFFFAOYSA-N -1 0 305.378 1.289 50 0 DDAARM Cc1ncc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c(C)n1 ZINC000262976307 407990831 /nfs/dbraw/zinc/99/08/31/407990831.db2.gz TVTKYTPQRSGMJR-CQSZACIVSA-N -1 0 317.320 1.831 50 0 DDAARM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)nn1 ZINC000263009122 408001581 /nfs/dbraw/zinc/00/15/81/408001581.db2.gz LKPHBHIPUUXASO-CQSZACIVSA-N -1 0 315.329 1.658 50 0 DDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000263216304 408061952 /nfs/dbraw/zinc/06/19/52/408061952.db2.gz OEVKPSYXKGPLNS-RYUDHWBXSA-N -1 0 314.345 1.593 50 0 DDAARM C[C@@H]1CCCN(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)C1 ZINC000154752184 408078157 /nfs/dbraw/zinc/07/81/57/408078157.db2.gz HZZCJGFDBLAMNP-LLVKDONJSA-N -1 0 312.391 1.798 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(-n2cncn2)c1 ZINC000136468419 408106227 /nfs/dbraw/zinc/10/62/27/408106227.db2.gz PAOXQGSWUOTHRC-CYBMUJFWSA-N -1 0 300.318 1.347 50 0 DDAARM CN(CC(=O)NC1(C(=O)[O-])CCOCC1)Cc1ccc(F)cc1 ZINC000252496774 408800728 /nfs/dbraw/zinc/80/07/28/408800728.db2.gz PROXJFHVWYKSJQ-UHFFFAOYSA-N -1 0 324.352 1.008 50 0 DDAARM CC[C@]1(C(N)=O)CCCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)C1 ZINC000299759222 410607739 /nfs/dbraw/zinc/60/77/39/410607739.db2.gz CHVGJROZLWSHMM-INIZCTEOSA-N -1 0 321.377 1.447 50 0 DDAARM CC(C)c1ocnc1C(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000299783294 410624016 /nfs/dbraw/zinc/62/40/16/410624016.db2.gz YJGRWESRATVHQW-JTQLQIEISA-N -1 0 304.306 1.173 50 0 DDAARM CC(C)S(=O)(=O)[N-]C(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000049418120 418477480 /nfs/dbraw/zinc/47/74/80/418477480.db2.gz HRBJEWPUVUYGIB-VIFPVBQESA-N -1 0 305.783 1.962 50 0 DDAARM CCc1noc(CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)n1 ZINC000426652022 419525282 /nfs/dbraw/zinc/52/52/82/419525282.db2.gz RXJLBVBGXTUAOB-NSHDSACASA-N -1 0 319.365 1.293 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000299743804 229381973 /nfs/dbraw/zinc/38/19/73/229381973.db2.gz MJBPREVVTYIODA-KRWDZBQOSA-N -1 0 313.357 1.738 50 0 DDAARM O=C([O-])c1cnc(C2CCN(C(=O)C[C@H]3CCOC3)CC2)s1 ZINC000630243090 421985388 /nfs/dbraw/zinc/98/53/88/421985388.db2.gz RNZCULDIELLYRN-SNVBAGLBSA-N -1 0 324.402 1.974 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1ccc(Cl)s1 ZINC000214503864 263543102 /nfs/dbraw/zinc/54/31/02/263543102.db2.gz CGDDEGDLYLWTIW-FIFYQCSRSA-N -1 0 301.751 1.727 50 0 DDAARM CC(=O)c1cn(CCC(=O)N[C@H](C)C(=O)[O-])c2ccccc12 ZINC000067640892 278253322 /nfs/dbraw/zinc/25/33/22/278253322.db2.gz OXSAVFGEJYQRAI-SNVBAGLBSA-N -1 0 302.330 1.823 50 0 DDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000002522505 278390427 /nfs/dbraw/zinc/39/04/27/278390427.db2.gz XGDABHXCVGCHBB-GHMZBOCLSA-N -1 0 312.366 1.462 50 0 DDAARM C[C@@]1(C(=O)NCCC(=O)[O-])CS[C@H]2c3ccccc3C(=O)N21 ZINC000013691659 297868084 /nfs/dbraw/zinc/86/80/84/297868084.db2.gz LHWYLFQJRUVDCM-ZFWWWQNUSA-N -1 0 320.370 1.237 50 0 DDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268963822 302566132 /nfs/dbraw/zinc/56/61/32/302566132.db2.gz BLVIIPFOXZBDSE-VIFPVBQESA-N -1 0 318.251 1.334 50 0 DDAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)C[C@@](C)(C(F)F)O1 ZINC000663144794 484702202 /nfs/dbraw/zinc/70/22/02/484702202.db2.gz PRDBAJVDYHKJDQ-CLAHSXSESA-N -1 0 314.288 1.665 50 0 DDAARM Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000217936079 490697509 /nfs/dbraw/zinc/69/75/09/490697509.db2.gz CZHCPZCAMCZDFV-NSHDSACASA-N -1 0 317.297 1.359 50 0 DDAARM Cc1csc([C@@H]2CN(c3cc(C(=O)[O-])ncn3)CCO2)n1 ZINC000871593162 707131818 /nfs/dbraw/zinc/13/18/18/707131818.db2.gz AZRHIHRMQYNLLD-JTQLQIEISA-N -1 0 306.347 1.518 50 0 DDAARM C[C@H](O)c1nc(C2CCOCC2)nn1-c1ccc(C(=O)[O-])cc1 ZINC000219635886 771936239 /nfs/dbraw/zinc/93/62/39/771936239.db2.gz GDLXZNGLAJOCPC-JTQLQIEISA-N -1 0 317.345 1.913 50 0 DDAARM Cc1ccccc1CC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000585088474 771938712 /nfs/dbraw/zinc/93/87/12/771938712.db2.gz CTWVNAGIFXOZFP-CYBMUJFWSA-N -1 0 314.345 1.301 50 0 DDAARM CC(C)Cc1cc(C(=O)N[C@H](Cc2ccco2)C(=O)[O-])on1 ZINC000095523850 185377636 /nfs/dbraw/zinc/37/76/36/185377636.db2.gz DYYNLXKYVCMYOK-GFCCVEGCSA-N -1 0 306.318 1.892 50 0 DDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC000095743440 185383937 /nfs/dbraw/zinc/38/39/37/185383937.db2.gz HKALKUARCQYSJO-UHFFFAOYSA-N -1 0 316.354 1.585 50 0 DDAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cc2ccon2)CC1 ZINC000097017441 185397751 /nfs/dbraw/zinc/39/77/51/185397751.db2.gz FBDWGVHVBSKEFW-UHFFFAOYSA-N -1 0 314.341 1.862 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]c2nnc[nH]2)sc1Br ZINC000083577204 192374786 /nfs/dbraw/zinc/37/47/86/192374786.db2.gz DHAJBGRWTZPSFR-UHFFFAOYSA-N -1 0 323.197 1.738 50 0 DDAARM Cn1c2ccccc2cc(CN2CCOC[C@H]2CC(=O)[O-])c1=O ZINC000072147237 191052382 /nfs/dbraw/zinc/05/23/82/191052382.db2.gz PITGYSJDIWLHQS-CQSZACIVSA-N -1 0 316.357 1.214 50 0 DDAARM Cc1onc(N)c1S(=O)(=O)[N-]c1cc(Cl)ccc1O ZINC000072240864 191083922 /nfs/dbraw/zinc/08/39/22/191083922.db2.gz BLAMRQXOVCVSFA-UHFFFAOYSA-N -1 0 303.727 1.725 50 0 DDAARM Cc1noc(C)c1C[C@@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237468182 186294220 /nfs/dbraw/zinc/29/42/20/186294220.db2.gz RZUWENZAKOYDIZ-SNVBAGLBSA-N -1 0 324.377 1.562 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000237506007 186298926 /nfs/dbraw/zinc/29/89/26/186298926.db2.gz QAVMEHHWYLQBMQ-FVMDXXJSSA-N -1 0 307.394 1.585 50 0 DDAARM COc1cc(C(=O)[O-])ccc1NC(=O)Cc1c(C)nn(C)c1C ZINC000262893759 186319880 /nfs/dbraw/zinc/31/98/80/186319880.db2.gz IANQKNUKSLRWTD-UHFFFAOYSA-N -1 0 317.345 1.925 50 0 DDAARM [NH3+][C@@H](CCOCC[P@@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002087675 180909183 /nfs/dbraw/zinc/90/91/83/180909183.db2.gz YCFBPVMSYXKSGI-ZDUSSCGKSA-N -1 0 315.306 1.318 50 0 biogenic DDAARM CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)C(=O)[O-] ZINC000003366373 181012047 /nfs/dbraw/zinc/01/20/47/181012047.db2.gz BUZREBMUVLYWFH-NSHDSACASA-N -1 0 317.432 1.788 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)NC2CC2)ccc1Br ZINC000004206086 181085366 /nfs/dbraw/zinc/08/53/66/181085366.db2.gz NGOFHWMILIWKFA-UHFFFAOYSA-N -1 0 320.164 1.588 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 ZINC000004218693 181085679 /nfs/dbraw/zinc/08/56/79/181085679.db2.gz FRWGHYGZFIIQJU-UHFFFAOYSA-N -1 0 309.387 1.661 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000004731382 181144034 /nfs/dbraw/zinc/14/40/34/181144034.db2.gz OTXQVQFARWTDCU-AEZGRPFRSA-N -1 0 318.329 1.175 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000263461155 283108808 /nfs/dbraw/zinc/10/88/08/283108808.db2.gz VSLWRSVARYKHBR-BXUZGUMPSA-N -1 0 309.366 1.211 50 0 DDAARM COc1ccc(CNC(=O)N[C@H](C(=O)[O-])C(C)C)c(OC)c1 ZINC000005253343 181222144 /nfs/dbraw/zinc/22/21/44/181222144.db2.gz HULQNUDUILTASB-ZDUSSCGKSA-N -1 0 310.350 1.612 50 0 DDAARM COc1ccccc1CN(C)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237157342 202170865 /nfs/dbraw/zinc/17/08/65/202170865.db2.gz DQVOIFRNZDNOEG-ZDUSSCGKSA-N -1 0 306.362 1.203 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000237172043 202174814 /nfs/dbraw/zinc/17/48/14/202174814.db2.gz HNUJMBAAPYMORR-RUDMXATFSA-N -1 0 302.330 1.135 50 0 DDAARM COc1cc(C(=O)N2CC[NH+]([C@H](C)C(=O)[O-])CC2)ccc1C ZINC000237241525 202201608 /nfs/dbraw/zinc/20/16/08/202201608.db2.gz XKCBGKDTSXVECL-GFCCVEGCSA-N -1 0 306.362 1.235 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)nn1C(C)(C)C ZINC000237701976 202331756 /nfs/dbraw/zinc/33/17/56/202331756.db2.gz ZCEPTMGVGMOYON-LLVKDONJSA-N -1 0 309.366 1.262 50 0 DDAARM Cn1ccc2c1cccc2C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237809554 202360924 /nfs/dbraw/zinc/36/09/24/202360924.db2.gz ZMMXESQHBKNUOW-LLVKDONJSA-N -1 0 302.330 1.494 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)CCc2cccc(F)c2F)CCO1 ZINC000238047579 202427261 /nfs/dbraw/zinc/42/72/61/202427261.db2.gz QNFSSQGVUDHOKJ-NSHDSACASA-N -1 0 313.300 1.600 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)o1 ZINC000238119666 202443660 /nfs/dbraw/zinc/44/36/60/202443660.db2.gz KGUQFZKQYJGZCQ-NSHDSACASA-N -1 0 301.298 1.845 50 0 DDAARM COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1 ZINC000006624015 181362391 /nfs/dbraw/zinc/36/23/91/181362391.db2.gz ICLUIIGOEHRLPK-LBPRGKRZSA-N -1 0 306.318 1.023 50 0 DDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)ccc1OC ZINC000006706870 181374964 /nfs/dbraw/zinc/37/49/64/181374964.db2.gz ZNTHTLJSHSKWMZ-UHFFFAOYSA-N -1 0 321.358 1.251 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cscn2)C1 ZINC000091563239 193073223 /nfs/dbraw/zinc/07/32/23/193073223.db2.gz XSPJESUHRKDMHT-CQSZACIVSA-N -1 0 312.391 1.877 50 0 DDAARM C[C@@H](NC(=O)c1c[nH]nc1-c1cccc(F)c1)c1nnn[n-]1 ZINC000091644538 193083753 /nfs/dbraw/zinc/08/37/53/193083753.db2.gz IYAGYMYRDGQUAY-SSDOTTSWSA-N -1 0 301.285 1.220 50 0 DDAARM C[C@H](O)[C@H](C(=O)[O-])n1cnc(-c2ccccc2)c1-c1c[nH]cn1 ZINC000091644962 193083822 /nfs/dbraw/zinc/08/38/22/193083822.db2.gz DZWRVBRDKXNTCY-IINYFYTJSA-N -1 0 312.329 1.947 50 0 DDAARM Cc1cc(C)n(C)c(=O)c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091745700 193100657 /nfs/dbraw/zinc/10/06/57/193100657.db2.gz JANZSLIDNQMZJR-QWHCGFSZSA-N -1 0 318.373 1.185 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1sccc1Br ZINC000088374057 304136266 /nfs/dbraw/zinc/13/62/66/304136266.db2.gz VWERCZHZFXKEDP-ZETCQYMHSA-N -1 0 320.164 1.436 50 0 DDAARM CC(C)Cn1cc(I)c(CC(=O)[O-])n1 ZINC000223249836 201638344 /nfs/dbraw/zinc/63/83/44/201638344.db2.gz ISZMKMPSDQSJHF-UHFFFAOYSA-N -1 0 308.119 1.771 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1nc2c(s1)CCCC2 ZINC000097347448 304150806 /nfs/dbraw/zinc/15/08/06/304150806.db2.gz OMCUMEMOBFIFQY-LBPRGKRZSA-N -1 0 318.402 1.757 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000263020428 203429664 /nfs/dbraw/zinc/42/96/64/203429664.db2.gz QFWWJTXIHFJJQG-HZUKXOBISA-N -1 0 319.357 1.786 50 0 DDAARM COc1ccc2cc(C(=O)NC[C@H](OC)C(=O)[O-])c(C)nc2c1 ZINC000263134768 203440221 /nfs/dbraw/zinc/44/02/21/203440221.db2.gz UHYPDHMANZPRAH-AWEZNQCLSA-N -1 0 318.329 1.381 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2cccc([C@@H]3CCOC3)c2)n1 ZINC000263356169 203459604 /nfs/dbraw/zinc/45/96/04/203459604.db2.gz RRZRTQVMJIODSM-CYBMUJFWSA-N -1 0 315.329 1.724 50 0 DDAARM CCn1cc2c(n1)n(CCC(=O)[O-])c(=O)cc2C(F)(F)F ZINC000012397929 181757138 /nfs/dbraw/zinc/75/71/38/181757138.db2.gz BQOLABBIXZTGAH-UHFFFAOYSA-N -1 0 303.240 1.711 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000261598824 304178987 /nfs/dbraw/zinc/17/89/87/304178987.db2.gz AYJLMDZZYZPFRR-LLVKDONJSA-N -1 0 304.302 1.097 50 0 DDAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299751312 296208790 /nfs/dbraw/zinc/20/87/90/296208790.db2.gz QHMFLZPOLSTYFF-PRHODGIISA-N -1 0 315.272 1.044 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000021883871 182296262 /nfs/dbraw/zinc/29/62/62/182296262.db2.gz UTHRQRWPYUCGRE-UHFFFAOYSA-N -1 0 313.310 1.526 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1SCCc2ccccc21 ZINC000299747133 304199992 /nfs/dbraw/zinc/19/99/92/304199992.db2.gz CATDSYDTKMAILM-CHWSQXEVSA-N -1 0 307.371 1.329 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)COCC(F)(F)F ZINC000238029236 304206308 /nfs/dbraw/zinc/20/63/08/304206308.db2.gz BNPMXQXUCPKKSU-LLVKDONJSA-N -1 0 317.263 1.603 50 0 DDAARM CO[N-]C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000048345876 183648967 /nfs/dbraw/zinc/64/89/67/183648967.db2.gz ATPVCUISXLPVTJ-JTQLQIEISA-N -1 0 313.151 1.480 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268922608 207088739 /nfs/dbraw/zinc/08/87/39/207088739.db2.gz TYDGBVIAFDZDDL-UONOGXRCSA-N -1 0 313.357 1.826 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000268929808 207095430 /nfs/dbraw/zinc/09/54/30/207095430.db2.gz XWYWWDMKBZWVAS-UONOGXRCSA-N -1 0 316.357 1.146 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 ZINC000268938700 207103720 /nfs/dbraw/zinc/10/37/20/207103720.db2.gz JRDGZTXXEWICPZ-GFCCVEGCSA-N -1 0 317.345 1.153 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000062912709 184259202 /nfs/dbraw/zinc/25/92/02/184259202.db2.gz DCZRPZPOWLHLQY-AWEZNQCLSA-N -1 0 311.359 1.027 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000269131121 207264409 /nfs/dbraw/zinc/26/44/09/207264409.db2.gz BJPBZRDHFMHNPD-ZFWWWQNUSA-N -1 0 319.357 1.791 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)C1 ZINC000269188495 207308188 /nfs/dbraw/zinc/30/81/88/207308188.db2.gz NNAUXKKZZQIMRO-SNVBAGLBSA-N -1 0 303.293 1.763 50 0 DDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NOCc1ccccc1 ZINC000065565393 184366971 /nfs/dbraw/zinc/36/69/71/184366971.db2.gz JQGJXIUHTYTKHX-UHFFFAOYSA-N -1 0 320.370 1.920 50 0 DDAARM Cc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)[nH]c(=O)c2=3)c1C ZINC000067240408 184456728 /nfs/dbraw/zinc/45/67/28/184456728.db2.gz YMQJXZKOIKIOOX-VXGBXAGGSA-N -1 0 301.306 1.159 50 0 DDAARM O=C([O-])c1ccc2c(c1)NC(=O)c1ccccc1S2(=O)=O ZINC000033096878 304253068 /nfs/dbraw/zinc/25/30/68/304253068.db2.gz UEKIEJNYSPXCAW-UHFFFAOYSA-N -1 0 303.295 1.783 50 0 DDAARM O=C1NC(=O)C2(Cc3ccccc3O[C@H]2c2ccccc2)C(=O)N1 ZINC000263585279 257213325 /nfs/dbraw/zinc/21/33/25/257213325.db2.gz GZNXOWKMBNVVOP-AWEZNQCLSA-N -1 0 322.320 1.715 50 0 DDAARM CN1C(=N)NC(=O)/C1=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000334160538 257262322 /nfs/dbraw/zinc/26/23/22/257262322.db2.gz HANBQILXQOXFHY-WQLSENKSSA-N -1 0 311.297 1.982 50 0 DDAARM COc1ncccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261644807 407565910 /nfs/dbraw/zinc/56/59/10/407565910.db2.gz JBDMPUGISGWRAI-RTXFEEFZSA-N -1 0 304.346 1.948 50 0 DDAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000000139300 406622675 /nfs/dbraw/zinc/62/26/75/406622675.db2.gz DYSKDKDFBRJGTB-SECBINFHSA-N -1 0 305.286 1.070 50 0 biogenic DDAARM O=C([O-])CSCC(=O)Nc1ccccc1N1CCOCC1 ZINC000000153612 406626047 /nfs/dbraw/zinc/62/60/47/406626047.db2.gz FWMJCWQEOCMQQA-UHFFFAOYSA-N -1 0 310.375 1.280 50 0 DDAARM COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1O ZINC000000966719 406661214 /nfs/dbraw/zinc/66/12/14/406661214.db2.gz JYPGFVKSBHLKEF-BJMVGYQFSA-N -1 0 309.299 1.522 50 0 DDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000001422610 406669681 /nfs/dbraw/zinc/66/96/81/406669681.db2.gz LMDSSLFOHMBAEK-UHFFFAOYSA-N -1 0 323.374 1.609 50 0 DDAARM CSCC[C@H](NC(=O)c1cccnc1SC)C(=O)[O-] ZINC000002513516 406690107 /nfs/dbraw/zinc/69/01/07/406690107.db2.gz HSEYYGFJBLWFGD-VIFPVBQESA-N -1 0 300.405 1.740 50 0 DDAARM Cc1c(C=C2NC(=S)NC2=O)[n-]n(-c2ccccc2)c1=O ZINC000002771393 406698863 /nfs/dbraw/zinc/69/88/63/406698863.db2.gz UKBROXYPWLIBNV-YRNVUSSQSA-N -1 0 300.343 1.232 50 0 DDAARM O=C(NCc1ccccc1OCc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000069538915 406732190 /nfs/dbraw/zinc/73/21/90/406732190.db2.gz JWCGHLAKKIWPAB-UHFFFAOYSA-N -1 0 324.340 1.607 50 0 DDAARM COc1cccc(CN2[N-]S(=O)(=O)c3ccccc3C2=O)c1 ZINC000007973818 406772471 /nfs/dbraw/zinc/77/24/71/406772471.db2.gz NNOFHUZHBFINHK-UHFFFAOYSA-N -1 0 318.354 1.545 50 0 DDAARM CC[C@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)OCc1ccccc1 ZINC000008763158 406795932 /nfs/dbraw/zinc/79/59/32/406795932.db2.gz FJPAOQKJHRNFCQ-JTQLQIEISA-N -1 0 321.358 1.485 50 0 DDAARM CCCCN1C(=O)[N-]C(=O)/C(=C(/C)NN2CCCCC2)C1=O ZINC000009329073 406807818 /nfs/dbraw/zinc/80/78/18/406807818.db2.gz IEWJATLRTCPDJF-VAWYXSNFSA-N -1 0 308.382 1.129 50 0 DDAARM O=C(Nc1nnn[n-]1)c1csc(CCc2ccccc2)n1 ZINC000071885998 406862980 /nfs/dbraw/zinc/86/29/80/406862980.db2.gz MDYOOHAVARYQCC-UHFFFAOYSA-N -1 0 300.347 1.694 50 0 DDAARM Cn1c(=O)[nH]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccccc1)C3 ZINC000019818787 406885975 /nfs/dbraw/zinc/88/59/75/406885975.db2.gz RBEOREVXLDIJLX-LLVKDONJSA-N -1 0 321.336 1.535 50 0 DDAARM Cn1c2nc(-c3cccnc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615580 406887922 /nfs/dbraw/zinc/88/79/22/406887922.db2.gz PGDFNUTYSAXLQD-UHFFFAOYSA-N -1 0 314.326 1.377 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1cccc(C)c1)C(=O)[O-] ZINC000036293804 406978277 /nfs/dbraw/zinc/97/82/77/406978277.db2.gz HONSGGYAQAWECA-LLVKDONJSA-N -1 0 303.405 1.480 50 0 DDAARM C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N1CCc2ccccc2C1 ZINC000032073981 406945185 /nfs/dbraw/zinc/94/51/85/406945185.db2.gz UDIWVRHHDGOWCO-SWLSCSKDSA-N -1 0 302.374 1.509 50 0 DDAARM COC(=O)c1ccc(C)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000032104488 406946189 /nfs/dbraw/zinc/94/61/89/406946189.db2.gz HCAWTXDLZZQBHV-UHFFFAOYSA-N -1 0 315.285 1.522 50 0 DDAARM Cc1cc(COC(=O)c2ccccc2[N-]S(C)(=O)=O)on1 ZINC000032842578 406954387 /nfs/dbraw/zinc/95/43/87/406954387.db2.gz HKSJEAFRIULGNS-UHFFFAOYSA-N -1 0 310.331 1.712 50 0 DDAARM Cc1ccc(Cl)cc1N1N[C@H](O[C@@H](C)C(=O)[O-])C=CC1=O ZINC000032918626 406956698 /nfs/dbraw/zinc/95/66/98/406956698.db2.gz OEMVQYZSTAUHOE-JOYOIKCWSA-N -1 0 310.737 1.872 50 0 DDAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000055312805 407200622 /nfs/dbraw/zinc/20/06/22/407200622.db2.gz JUFXABLZPHARER-SNVBAGLBSA-N -1 0 316.379 1.001 50 0 DDAARM CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccn(C)n2)c(C)c1 ZINC000055575130 407205078 /nfs/dbraw/zinc/20/50/78/407205078.db2.gz SCVPRILYPGGXSU-UHFFFAOYSA-N -1 0 322.390 1.796 50 0 DDAARM CN(Cc1cnccn1)[C@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000095361773 407209196 /nfs/dbraw/zinc/20/91/96/407209196.db2.gz QWDYKUHSCVZYCR-AWEZNQCLSA-N -1 0 301.302 1.463 50 0 DDAARM CCCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccco2)n(C)n1 ZINC000095378487 407211127 /nfs/dbraw/zinc/21/11/27/407211127.db2.gz OIPPCGODFKRSSY-NSHDSACASA-N -1 0 305.334 1.911 50 0 DDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1nccc(C)n1 ZINC000095939329 407215578 /nfs/dbraw/zinc/21/55/78/407215578.db2.gz FKOXKKQOIHAFGP-UHFFFAOYSA-N -1 0 309.395 1.444 50 0 DDAARM CC(C)c1nc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n(C)n1 ZINC000096433484 407266131 /nfs/dbraw/zinc/26/61/31/407266131.db2.gz MIFJINGLDVIVLC-UHFFFAOYSA-N -1 0 312.399 1.517 50 0 DDAARM Cc1ccccc1C1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CC1 ZINC000124765340 407369302 /nfs/dbraw/zinc/36/93/02/407369302.db2.gz ZTQIZNHPQXQECC-CYBMUJFWSA-N -1 0 303.358 1.729 50 0 DDAARM O=S(=O)([N-]c1nnc[nH]1)c1cc(Br)ccc1F ZINC000225549440 407592580 /nfs/dbraw/zinc/59/25/80/407592580.db2.gz BHKHDMOLKQXDAD-UHFFFAOYSA-N -1 0 321.131 1.507 50 0 DDAARM CC(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCC(C)CC2)CC1 ZINC000236670166 407746129 /nfs/dbraw/zinc/74/61/29/407746129.db2.gz HPMAVAUFUGYQOU-UHFFFAOYSA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C/C=C/c2ccc(F)cc2)CCO1 ZINC000238046496 407877416 /nfs/dbraw/zinc/87/74/16/407877416.db2.gz VFSOEGPXRVYIOC-YUKKFKLSSA-N -1 0 307.321 1.931 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000238087183 407887064 /nfs/dbraw/zinc/88/70/64/407887064.db2.gz VGYWCNMUGSDESH-NSHDSACASA-N -1 0 300.314 1.004 50 0 DDAARM O=C([O-])CN(C(=O)c1cccc2cc[nH]c21)C1CCOCC1 ZINC000238109811 407889429 /nfs/dbraw/zinc/88/94/29/407889429.db2.gz PYNGQJJSASHHQC-UHFFFAOYSA-N -1 0 302.330 1.874 50 0 DDAARM O=C([O-])CN(C(=O)c1cc(F)cc2nc[nH]c21)C1CCOCC1 ZINC000238108278 407889610 /nfs/dbraw/zinc/88/96/10/407889610.db2.gz FUDKBTDDGQELTM-UHFFFAOYSA-N -1 0 321.308 1.408 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCCCO2 ZINC000262017826 292453481 /nfs/dbraw/zinc/45/34/81/292453481.db2.gz XEUQZOMYDVPHTE-UHFFFAOYSA-N -1 0 309.318 1.021 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)CCO1 ZINC000262941288 407978190 /nfs/dbraw/zinc/97/81/90/407978190.db2.gz GRLQUFXJBLKMPO-DGFSRKRXSA-N -1 0 319.357 1.679 50 0 DDAARM COc1ccc(CN2CC[C@H]2C(=O)[O-])cc1Cn1cccn1 ZINC000244678428 407930976 /nfs/dbraw/zinc/93/09/76/407930976.db2.gz ICJLQDOLSIMJEL-AWEZNQCLSA-N -1 0 301.346 1.599 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc3c2OCC3)CC1 ZINC000263157225 408041826 /nfs/dbraw/zinc/04/18/26/408041826.db2.gz QCRZFUQYOOYMAW-UHFFFAOYSA-N -1 0 311.359 1.107 50 0 DDAARM O=C([O-])C1(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)CC1 ZINC000154857103 408098899 /nfs/dbraw/zinc/09/88/99/408098899.db2.gz SRDOFGIVFXABNF-LBPRGKRZSA-N -1 0 311.284 1.730 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cc(C)no1 ZINC000263311237 408101594 /nfs/dbraw/zinc/10/15/94/408101594.db2.gz GMDRAUZADRPQIW-UHFFFAOYSA-N -1 0 304.302 1.662 50 0 DDAARM COc1ccc(C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000263493745 408156005 /nfs/dbraw/zinc/15/60/05/408156005.db2.gz XLJWSAQRFPIFSZ-ZDUSSCGKSA-N -1 0 315.329 1.253 50 0 DDAARM Cn1cc(Br)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000164898169 408805990 /nfs/dbraw/zinc/80/59/90/408805990.db2.gz CVCSSNBDRDGFLB-UHFFFAOYSA-N -1 0 301.140 1.525 50 0 DDAARM CN(C)S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000185119230 408762630 /nfs/dbraw/zinc/76/26/30/408762630.db2.gz QXHSQLWDGLWDCZ-UHFFFAOYSA-N -1 0 308.153 1.398 50 0 DDAARM CNC(=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cn1 ZINC000263021079 163905245 /nfs/dbraw/zinc/90/52/45/163905245.db2.gz YGLWAFQKGOCXIN-NSHDSACASA-N -1 0 319.361 1.158 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)C1 ZINC000299741918 410604223 /nfs/dbraw/zinc/60/42/23/410604223.db2.gz HUDFZFXRACQYRS-CYBMUJFWSA-N -1 0 316.357 1.750 50 0 DDAARM CC(C)c1nccn1CCCNC(=O)c1[nH]cnc1C(=O)[O-] ZINC000299776573 410620147 /nfs/dbraw/zinc/62/01/47/410620147.db2.gz DEPOAPHUGRIDON-UHFFFAOYSA-N -1 0 305.338 1.248 50 0 DDAARM O=C(c1cc(=O)[n-]o1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000299795094 410635891 /nfs/dbraw/zinc/63/58/91/410635891.db2.gz LUHDGZGUZACWJB-AWEZNQCLSA-N -1 0 316.357 1.836 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2SCCc3ccccc32)n1 ZINC000122869520 418505675 /nfs/dbraw/zinc/50/56/75/418505675.db2.gz PNTSIADQBGLKAP-CQSZACIVSA-N -1 0 317.370 1.937 50 0 DDAARM COc1cccc2c1OCC(C(=O)N1CCC[C@H]1C(=O)[O-])=C2 ZINC000262715925 222291021 /nfs/dbraw/zinc/29/10/21/222291021.db2.gz RSIBEMKCNNLPIA-LBPRGKRZSA-N -1 0 303.314 1.547 50 0 DDAARM Cn1ccnc1CN1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426420147 419464319 /nfs/dbraw/zinc/46/43/19/419464319.db2.gz OZKMOSFSHMWABN-GFCCVEGCSA-N -1 0 303.366 1.081 50 0 DDAARM CCc1noc(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)n1 ZINC000426652021 419522647 /nfs/dbraw/zinc/52/26/47/419522647.db2.gz RXJLBVBGXTUAOB-LLVKDONJSA-N -1 0 319.365 1.293 50 0 DDAARM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000299747060 229389775 /nfs/dbraw/zinc/38/97/75/229389775.db2.gz CAARBRWYKILPRY-HLTSFMKQSA-N -1 0 308.359 1.185 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CSc3ccccc3O2)C1 ZINC000583652296 422212994 /nfs/dbraw/zinc/21/29/94/422212994.db2.gz DBHZSLBGTOTWGP-CMPLNLGQSA-N -1 0 307.371 1.863 50 0 DDAARM CC[C@](NC(=O)c1cc(C)nn1C)(C(=O)[O-])c1ccccc1 ZINC000262508715 288421377 /nfs/dbraw/zinc/42/13/77/288421377.db2.gz ZXYBICXAMBTZBZ-MRXNPFEDSA-N -1 0 301.346 1.848 50 0 DDAARM CCc1nnsc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250141195 288657334 /nfs/dbraw/zinc/65/73/34/288657334.db2.gz UERRBHREPNYGSJ-IEBDPFPHSA-N -1 0 309.391 1.958 50 0 DDAARM CCc1nnsc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000223852458 288657493 /nfs/dbraw/zinc/65/74/93/288657493.db2.gz UERRBHREPNYGSJ-LSJOCFKGSA-N -1 0 309.391 1.958 50 0 DDAARM Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000036983377 301608136 /nfs/dbraw/zinc/60/81/36/301608136.db2.gz VBLYVPPJEWSUTM-LLVKDONJSA-N -1 0 301.339 1.762 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N(C)CCC(=O)[O-])C2=O)cc1 ZINC000299749000 301629080 /nfs/dbraw/zinc/62/90/80/301629080.db2.gz IVNXYDPPAXWBDT-ZDUSSCGKSA-N -1 0 304.346 1.281 50 0 DDAARM Cc1nc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1C#N ZINC000299753245 302549270 /nfs/dbraw/zinc/54/92/70/302549270.db2.gz XKTGLDHMUUAUER-CYBMUJFWSA-N -1 0 317.345 1.358 50 0 DDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCO[C@@H]1C(=O)[O-] ZINC000659170368 484669109 /nfs/dbraw/zinc/66/91/09/484669109.db2.gz VAYFIDJPMSTJGF-SCZZXKLOSA-N -1 0 318.251 1.381 50 0 DDAARM Cc1cccc2nc(C(=O)N3CCSC[C@@H]3CC(=O)[O-])cn21 ZINC000170000916 490679892 /nfs/dbraw/zinc/67/98/92/490679892.db2.gz SNIJHBQBEXGMAF-NSHDSACASA-N -1 0 319.386 1.675 50 0 DDAARM CC(C)(C)CN1C[C@H]([N-]S(=O)(=O)CC(F)(F)F)CC1=O ZINC000012443463 696050136 /nfs/dbraw/zinc/05/01/36/696050136.db2.gz CEXKBHLVCALQEQ-MRVPVSSYSA-N -1 0 316.345 1.115 50 0 DDAARM CCc1cnc(N2CCC(c3cc(CC(=O)[O-])[nH]n3)CC2)nc1 ZINC000067955918 696365554 /nfs/dbraw/zinc/36/55/54/696365554.db2.gz FATRJITWRXHOJG-UHFFFAOYSA-N -1 0 315.377 1.773 50 0 DDAARM CC(=O)[N-]S(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC000888099354 709213251 /nfs/dbraw/zinc/21/32/51/709213251.db2.gz JCKNEHBVQNZZKP-UHFFFAOYSA-N -1 0 302.661 1.579 50 0 DDAARM CC(C)Oc1nn(C)c2ccc(NC(=O)/C=C/C(=O)[O-])cc12 ZINC000675028439 737528124 /nfs/dbraw/zinc/52/81/24/737528124.db2.gz UDCDNGAYJYOOMP-VOTSOKGWSA-N -1 0 303.318 1.940 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCN(CC(F)(F)F)C2)C1 ZINC000585139569 739402540 /nfs/dbraw/zinc/40/25/40/739402540.db2.gz RFGQYTAHMMIKOF-JOYOIKCWSA-N -1 0 308.300 1.194 50 0 DDAARM O=C(N=c1nc(-c2ncccc2Cl)[n-]s1)[C@H]1CCCO1 ZINC000585124964 771956505 /nfs/dbraw/zinc/95/65/05/771956505.db2.gz BIAXVLUTHGJCOA-MRVPVSSYSA-N -1 0 310.766 1.793 50 0 DDAARM CSc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)ncn1 ZINC000585129446 771961962 /nfs/dbraw/zinc/96/19/62/771961962.db2.gz JUJHOMWPTLSMOE-UHFFFAOYSA-N -1 0 313.408 1.777 50 0 DDAARM Cn1ncc(C(=O)[O-])c1CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000230021636 861166532 /nfs/dbraw/zinc/16/65/32/861166532.db2.gz MBEAJWHCJZLBBM-UHFFFAOYSA-N -1 0 324.381 1.171 50 0 DDAARM C[C@@H](c1ccncc1)N1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000095495810 185374144 /nfs/dbraw/zinc/37/41/44/185374144.db2.gz IZTDDJXWSQKAAY-JAZUZQGESA-N -1 0 300.314 1.009 50 0 DDAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088374422 185247534 /nfs/dbraw/zinc/24/75/34/185247534.db2.gz TVFKNIIFKPNCKI-SKDRFNHKSA-N -1 0 313.737 1.419 50 0 DDAARM COc1cccc(OCC(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263282203 539276076 /nfs/dbraw/zinc/27/60/76/539276076.db2.gz XMXQXPPCTNTSAM-RYUDHWBXSA-N -1 0 307.346 1.786 50 0 DDAARM C[C@H](Cc1cnn(C)c1)NC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263336681 539276078 /nfs/dbraw/zinc/27/60/78/539276078.db2.gz MOYDNIZSVAUNRE-NQBHXWOUSA-N -1 0 308.382 1.103 50 0 DDAARM CC(C)N1CC[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)C1=O ZINC000263258485 539276118 /nfs/dbraw/zinc/27/61/18/539276118.db2.gz PYVFBSKDHFPGHV-ZDUSSCGKSA-N -1 0 319.361 1.193 50 0 DDAARM CCN(C)C(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000095424086 185361423 /nfs/dbraw/zinc/36/14/23/185361423.db2.gz JUQICNZARXFUFW-CQSZACIVSA-N -1 0 318.373 1.715 50 0 DDAARM CN(CCC(=O)[O-])C(=O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000299748361 529872666 /nfs/dbraw/zinc/87/26/66/529872666.db2.gz HCPBBHAZGHNMJG-GFCCVEGCSA-N -1 0 324.764 1.626 50 0 DDAARM COC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071286191 190953129 /nfs/dbraw/zinc/95/31/29/190953129.db2.gz ANMCAHVTGSLBSX-VXGBXAGGSA-N -1 0 321.329 1.777 50 0 DDAARM Cc1nc2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2nc1C ZINC000071284246 190952691 /nfs/dbraw/zinc/95/26/91/190952691.db2.gz SNDGYBXSFTWAEB-UHFFFAOYSA-N -1 0 323.312 1.987 50 0 DDAARM Cc1ccc(C(=O)N[C@@](C)(COc2ccccc2)C(=O)[O-])n1C ZINC000139957308 186024621 /nfs/dbraw/zinc/02/46/21/186024621.db2.gz LDPIAQWRQRQFDH-KRWDZBQOSA-N -1 0 316.357 1.986 50 0 DDAARM CCc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000072191566 191073662 /nfs/dbraw/zinc/07/36/62/191073662.db2.gz XYXOTHDMHFFRAR-UHFFFAOYSA-N -1 0 320.374 1.807 50 0 DDAARM Cc1cnn(CC2CC2)c1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000072296322 191111610 /nfs/dbraw/zinc/11/16/10/191111610.db2.gz JYZLCCIXKCDBGT-UHFFFAOYSA-N -1 0 309.395 1.742 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1n[nH]c(-c2ccccc2)n1 ZINC000072401334 191151141 /nfs/dbraw/zinc/15/11/41/191151141.db2.gz AACUPVWMLTUOCC-UHFFFAOYSA-N -1 0 310.273 1.212 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(NC[C@H]3COCCO3)n2)c1 ZINC000072481356 191180524 /nfs/dbraw/zinc/18/05/24/191180524.db2.gz UGXNHTPPLYTCBI-NSHDSACASA-N -1 0 316.317 1.064 50 0 DDAARM COc1ccc(CNC(=O)Cn2cc(C)cn2)cc1C(=O)[O-] ZINC000344463582 282827117 /nfs/dbraw/zinc/82/71/17/282827117.db2.gz WDRPLUHGHQYKDQ-UHFFFAOYSA-N -1 0 303.318 1.215 50 0 DDAARM COc1ccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1OC ZINC000001060880 180844590 /nfs/dbraw/zinc/84/45/90/180844590.db2.gz NXUJBKNZBPNQHM-STQMWFEESA-N -1 0 319.357 1.987 50 0 DDAARM Cc1ccccc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000076094827 353398464 /nfs/dbraw/zinc/39/84/64/353398464.db2.gz XMKJTIRDGQRWMI-KGLIPLIRSA-N -1 0 320.370 1.733 50 0 DDAARM O=C1C=C([O-])C=C2OC(c3ccc(O)cc3O)C(=O)C(O)=C12 ZINC000003881558 181052438 /nfs/dbraw/zinc/05/24/38/181052438.db2.gz YXOLAZRVSSWPPT-UHFFFAOYSA-N -1 0 302.238 1.988 50 0 endogenous,in-man DDAARM CN1C(=O)N/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O ZINC000004748596 181147589 /nfs/dbraw/zinc/14/75/89/181147589.db2.gz JRTWICWVHKUZKO-UKTHLTGXSA-N -1 0 311.297 1.698 50 0 DDAARM O=C([O-])C[S@](=O)CC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000005248694 181221139 /nfs/dbraw/zinc/22/11/39/181221139.db2.gz WRFWJTMQFIJZBL-IBGZPJMESA-N -1 0 324.185 1.443 50 0 DDAARM CCCOc1cccc(CNC(=O)CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000236875330 202045693 /nfs/dbraw/zinc/04/56/93/202045693.db2.gz QZLJASPTAAQCSF-OAHLLOKOSA-N -1 0 320.389 1.641 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000237644096 202315949 /nfs/dbraw/zinc/31/59/49/202315949.db2.gz MJDAWQXGCIVEAE-MRXNPFEDSA-N -1 0 321.377 1.983 50 0 DDAARM NC(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000237728879 202341127 /nfs/dbraw/zinc/34/11/27/202341127.db2.gz CEXISZMFNWZGON-CQSZACIVSA-N -1 0 312.325 1.211 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)CCCC3)CCO1 ZINC000238060013 202432234 /nfs/dbraw/zinc/43/22/34/202432234.db2.gz NVQUYKDLHSEDSJ-HNNXBMFYSA-N -1 0 303.358 1.881 50 0 DDAARM Cc1cnn(Cc2cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)no2)c1 ZINC000190517072 200550681 /nfs/dbraw/zinc/55/06/81/200550681.db2.gz XVHNVWFAWFFGRG-GFCCVEGCSA-N -1 0 306.322 1.067 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(Cl)cc2F)CCO1 ZINC000091292873 193032503 /nfs/dbraw/zinc/03/25/03/193032503.db2.gz UIWSJLLYTDMWEU-VIFPVBQESA-N -1 0 301.701 1.795 50 0 DDAARM CCc1nccn1CCC(=O)N1CCC[C@@](CC)(C(=O)[O-])C1 ZINC000091594885 193078027 /nfs/dbraw/zinc/07/80/27/193078027.db2.gz JHAWLDMXPJYIQP-MRXNPFEDSA-N -1 0 307.394 1.939 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CSCC2CC2)C[C@H]1c1ccccn1 ZINC000091754900 193102174 /nfs/dbraw/zinc/10/21/74/193102174.db2.gz ZFHWVCREEISVBV-CHWSQXEVSA-N -1 0 320.414 1.851 50 0 DDAARM COc1cncc([C@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@@H](O)C2)c1 ZINC000219658470 201561252 /nfs/dbraw/zinc/56/12/52/201561252.db2.gz BMLVMZJFJSGCNB-PJCOJXEDSA-N -1 0 319.317 1.026 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000268892674 304138823 /nfs/dbraw/zinc/13/88/23/304138823.db2.gz IVMQUSXXLZJCMN-YNEHKIRRSA-N -1 0 317.341 1.842 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cccc(OCC(F)(F)F)c1 ZINC000262589414 203341606 /nfs/dbraw/zinc/34/16/06/203341606.db2.gz HKMQSJXTTNUVAS-WDEREUQCSA-N -1 0 317.263 1.965 50 0 DDAARM CC(C)c1cc(C(=O)NCCc2nc(C(=O)[O-])cs2)nn1C ZINC000263054349 203431716 /nfs/dbraw/zinc/43/17/16/203431716.db2.gz OCBZBNYVBLOKKY-UHFFFAOYSA-N -1 0 322.390 1.671 50 0 DDAARM CC[C@](C)(NC(=O)c1cc(Br)cn1C)C(=O)[O-] ZINC000094219496 193350023 /nfs/dbraw/zinc/35/00/23/193350023.db2.gz HQCUKOACEQNCRZ-NSHDSACASA-N -1 0 303.156 1.771 50 0 DDAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000015942557 182025896 /nfs/dbraw/zinc/02/58/96/182025896.db2.gz JKQJNOQDMDOCOZ-UHFFFAOYSA-N -1 0 309.347 1.398 50 0 DDAARM CCc1c(C)sc(NC(=O)CSCC(=O)[O-])c1C(N)=O ZINC000017053883 182072231 /nfs/dbraw/zinc/07/22/31/182072231.db2.gz NANVYWASWYCPDP-UHFFFAOYSA-N -1 0 316.404 1.474 50 0 DDAARM Cc1nnc(SCC(=O)NCc2ccc(F)cc2)[n-]c1=O ZINC000018097543 182092841 /nfs/dbraw/zinc/09/28/41/182092841.db2.gz PKPYAGAVPCBSGH-UHFFFAOYSA-N -1 0 308.338 1.433 50 0 DDAARM COc1ccc(NC(=O)CN2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC000019774916 182145898 /nfs/dbraw/zinc/14/58/98/182145898.db2.gz ASWXVMIULOJSAL-UHFFFAOYSA-N -1 0 322.361 1.439 50 0 DDAARM Cn1cc(Br)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000022158442 182311034 /nfs/dbraw/zinc/31/10/34/182311034.db2.gz HGGRXUQFSMXHGH-MRVPVSSYSA-N -1 0 315.167 1.724 50 0 DDAARM CS(=O)(=O)[N-]C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000042280562 183249741 /nfs/dbraw/zinc/24/97/41/183249741.db2.gz HCLQQNWYNJDSDV-UHFFFAOYSA-N -1 0 313.306 1.687 50 0 DDAARM C[C@@H](CNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000268905735 207073973 /nfs/dbraw/zinc/07/39/73/207073973.db2.gz MJPCXNRSDSPYJH-FZMZJTMJSA-N -1 0 307.346 1.695 50 0 DDAARM COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268918567 207085007 /nfs/dbraw/zinc/08/50/07/207085007.db2.gz RCEGYLAFCNWVME-IHRRRGAJSA-N -1 0 303.358 1.949 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1ccc(Cl)s1 ZINC000268968909 207132380 /nfs/dbraw/zinc/13/23/80/207132380.db2.gz FMOWYBQOHWEMGE-SECBINFHSA-N -1 0 303.767 1.646 50 0 DDAARM CCCOc1ccc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000269002558 207157647 /nfs/dbraw/zinc/15/76/47/207157647.db2.gz ZPNCNZHKGFXPAZ-HNNXBMFYSA-N -1 0 321.373 1.720 50 0 DDAARM CC(=O)c1cc2c(cc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C)OCO2 ZINC000062001820 184201021 /nfs/dbraw/zinc/20/10/21/184201021.db2.gz WHRMSMCHROEEOW-STQMWFEESA-N -1 0 319.313 1.913 50 0 DDAARM CN(CC(=O)[O-])C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000269143703 207274092 /nfs/dbraw/zinc/27/40/92/207274092.db2.gz OOYNBOWMQAEZJR-UHFFFAOYSA-N -1 0 316.107 1.334 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)C1 ZINC000269135209 207265403 /nfs/dbraw/zinc/26/54/03/207265403.db2.gz CWWXNDUTMNQNPO-UPJWGTAASA-N -1 0 317.341 1.494 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000269177447 207298475 /nfs/dbraw/zinc/29/84/75/207298475.db2.gz KBAFDVDQOWYLMU-SECBINFHSA-N -1 0 306.343 1.879 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2noc(Cc3cccs3)n2)C1 ZINC000065381430 184331939 /nfs/dbraw/zinc/33/19/39/184331939.db2.gz VKRXAADOCWADMQ-QMMMGPOBSA-N -1 0 307.331 1.155 50 0 DDAARM Cc1cc(C(F)(F)F)nc(CN2C[C@@H](C(=O)[O-])CC2=O)n1 ZINC000065397339 184335819 /nfs/dbraw/zinc/33/58/19/184335819.db2.gz QADYOIMREINESI-ZETCQYMHSA-N -1 0 303.240 1.237 50 0 DDAARM O=C(/C=C/c1ccncn1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000158754651 197298613 /nfs/dbraw/zinc/29/86/13/197298613.db2.gz MVPNSGFVWFDOFA-ZZXKWVIFSA-N -1 0 307.306 1.134 50 0 DDAARM O=C([O-])[C@H]1CCCCN1CC(=O)NCc1cccc(Cl)c1 ZINC000158360313 197265796 /nfs/dbraw/zinc/26/57/96/197265796.db2.gz YQYHPLIYMAASOR-CYBMUJFWSA-N -1 0 310.781 1.895 50 0 DDAARM Cc1ccc(N2CC[C@H](NC(=O)C3(C(=O)[O-])CC3)C2=O)cc1 ZINC000154927608 197005661 /nfs/dbraw/zinc/00/56/61/197005661.db2.gz IDIPOKIKKLFKRG-LBPRGKRZSA-N -1 0 302.330 1.081 50 0 DDAARM COC(=O)c1cn([C@@H]2CCC[C@H](C(=O)[O-])C2)cc2c(=O)[nH]nc1-2 ZINC000524735105 257213303 /nfs/dbraw/zinc/21/33/03/257213303.db2.gz VVOMHAGITZOHII-DTWKUNHWSA-N -1 0 319.317 1.691 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1F ZINC000314894588 257236843 /nfs/dbraw/zinc/23/68/43/257236843.db2.gz BSSBOQSONIDXMV-MASHWEEQSA-N -1 0 309.293 1.160 50 0 DDAARM COc1ccc2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)n(C)c2c1 ZINC000426490226 533324767 /nfs/dbraw/zinc/32/47/67/533324767.db2.gz QTKXLNHTUOCJCL-PHIMTYICSA-N -1 0 302.330 1.780 50 0 DDAARM C[C@H](Oc1cccc(Br)c1)C(=O)NCCC(=O)[O-] ZINC000001787358 406677790 /nfs/dbraw/zinc/67/77/90/406677790.db2.gz ZYEVTMJJKSFRCE-QMMMGPOBSA-N -1 0 316.151 1.807 50 0 DDAARM C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000005433409 406733076 /nfs/dbraw/zinc/73/30/76/406733076.db2.gz GZMDFKKLXHSWDH-PRRDBKRISA-N -1 0 313.309 1.608 50 0 DDAARM CCn1[n-]c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1=O ZINC000069977583 406799173 /nfs/dbraw/zinc/79/91/73/406799173.db2.gz IQDYCJVAWNCBCX-UHFFFAOYSA-N -1 0 316.361 1.828 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)ccc21 ZINC000013260809 406861834 /nfs/dbraw/zinc/86/18/34/406861834.db2.gz XDSXRJBWXCNOLF-CQSZACIVSA-N -1 0 316.357 1.532 50 0 DDAARM CS(=O)(=O)c1cc(F)ccc1N1CCC[C@H](C(=O)[O-])C1 ZINC000016158939 406883009 /nfs/dbraw/zinc/88/30/09/406883009.db2.gz AAYAFMIVXVHLIJ-VIFPVBQESA-N -1 0 301.339 1.530 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000034926300 406965356 /nfs/dbraw/zinc/96/53/56/406965356.db2.gz ZBUDMDXRASMIIO-KBPBESRZSA-N -1 0 302.374 1.692 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000035686321 406974096 /nfs/dbraw/zinc/97/40/96/406974096.db2.gz OZHKYPAKGCGEFO-GJZGRUSLSA-N -1 0 313.309 1.769 50 0 DDAARM O=S(=O)([N-]c1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000035684201 406974488 /nfs/dbraw/zinc/97/44/88/406974488.db2.gz JRVRWXUZHQVUBX-UHFFFAOYSA-N -1 0 307.327 1.964 50 0 DDAARM CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000033528565 406961577 /nfs/dbraw/zinc/96/15/77/406961577.db2.gz SCFAIJDLVZQJNW-CUZBXDDWSA-N -1 0 315.416 1.783 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Cc1cc(C)no1 ZINC000036893750 406985488 /nfs/dbraw/zinc/98/54/88/406985488.db2.gz QXOHUSOJDPRZNW-UHFFFAOYSA-N -1 0 311.315 1.664 50 0 DDAARM COc1ccc(OC)c([C@H](C(=O)[O-])N(C)Cc2cc(C)n[nH]2)c1 ZINC000095366384 407210309 /nfs/dbraw/zinc/21/03/09/407210309.db2.gz MFSIXRWMUFJTRJ-OAHLLOKOSA-N -1 0 319.361 1.993 50 0 DDAARM CCNC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000067245511 407269503 /nfs/dbraw/zinc/26/95/03/407269503.db2.gz PHSQJBJJQOHRMG-UHFFFAOYSA-N -1 0 312.326 1.099 50 0 DDAARM CC[C@@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1nc(C)c(C)s1 ZINC000067755593 407283267 /nfs/dbraw/zinc/28/32/67/407283267.db2.gz RWAWHGBNHBVHOW-SNVBAGLBSA-N -1 0 322.390 1.359 50 0 DDAARM O=C([O-])Cn1nc(-c2ccncc2)nc1[C@@H](O)Cc1ccccc1 ZINC000097323955 407291240 /nfs/dbraw/zinc/29/12/40/407291240.db2.gz XORRFYVQQVVDMJ-AWEZNQCLSA-N -1 0 324.340 1.701 50 0 DDAARM O=C(NCCCc1n[nH]c(=O)[n-]1)c1scnc1C1CCCC1 ZINC000097376780 407291805 /nfs/dbraw/zinc/29/18/05/407291805.db2.gz YXCASNGDIFNEKI-UHFFFAOYSA-N -1 0 321.406 1.575 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCC2(O)CCCCC2)c1 ZINC000097766283 407301996 /nfs/dbraw/zinc/30/19/96/407301996.db2.gz MFVCHLUAERRPIT-UHFFFAOYSA-N -1 0 307.346 1.818 50 0 DDAARM CCCn1c(=O)c(C(=O)OCC)c([O-])c2cnc(SC)nc21 ZINC000100227152 407307645 /nfs/dbraw/zinc/30/76/45/407307645.db2.gz RKBWKNDYYVDLAD-UHFFFAOYSA-N -1 0 323.374 1.806 50 0 DDAARM COc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc[nH]n1 ZINC000215678455 407487162 /nfs/dbraw/zinc/48/71/62/407487162.db2.gz USYYCKAFFJHHNV-UHFFFAOYSA-N -1 0 308.319 1.242 50 0 DDAARM O=C([O-])c1cnc(N2CCn3nc(CO)cc3C2)c(Cl)c1 ZINC000217590045 407505409 /nfs/dbraw/zinc/50/54/09/407505409.db2.gz NHKKLYFWMQELLZ-UHFFFAOYSA-N -1 0 308.725 1.142 50 0 DDAARM CC(C)N1C[C@@H](C(=O)NCc2cccc(C(=O)[O-])c2)CC1=O ZINC000170534498 407442568 /nfs/dbraw/zinc/44/25/68/407442568.db2.gz IPBIUXHRMJDXGQ-ZDUSSCGKSA-N -1 0 304.346 1.258 50 0 DDAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCCOCC1 ZINC000170599820 407448938 /nfs/dbraw/zinc/44/89/38/407448938.db2.gz XCDXMHSQNFQBGV-UHFFFAOYSA-N -1 0 305.359 1.074 50 0 DDAARM Cc1cccnc1CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000170647499 407462909 /nfs/dbraw/zinc/46/29/09/407462909.db2.gz AXNDMUFRUAXVFJ-UHFFFAOYSA-N -1 0 324.333 1.706 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2noc(C)n2)c(F)c1 ZINC000225465266 407587056 /nfs/dbraw/zinc/58/70/56/407587056.db2.gz ZKJILQILKONZOB-UHFFFAOYSA-N -1 0 315.282 1.105 50 0 DDAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000220611407 407543417 /nfs/dbraw/zinc/54/34/17/407543417.db2.gz QGTMBVHPPNVEGJ-VIFPVBQESA-N -1 0 300.742 1.648 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000271889292 407736516 /nfs/dbraw/zinc/73/65/16/407736516.db2.gz BZTZVRGUKUCFFQ-HNNXBMFYSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)o1 ZINC000237981705 407860643 /nfs/dbraw/zinc/86/06/43/407860643.db2.gz ZHPQLAGUCPDCJE-ZDUSSCGKSA-N -1 0 314.297 1.291 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2ccn(-c3ccccc3F)n2)CC1 ZINC000238043418 407875631 /nfs/dbraw/zinc/87/56/31/407875631.db2.gz YUSWZOIOLJZWGM-UHFFFAOYSA-N -1 0 317.320 1.948 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)C1 ZINC000238084727 407886950 /nfs/dbraw/zinc/88/69/50/407886950.db2.gz HXGSONJKOBQOPU-STQMWFEESA-N -1 0 316.357 1.511 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000262639920 407889468 /nfs/dbraw/zinc/88/94/68/407889468.db2.gz HBEUWPISGNRZBY-HNNXBMFYSA-N -1 0 313.357 1.881 50 0 DDAARM O=C([O-])COc1cccc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000262768703 407921960 /nfs/dbraw/zinc/92/19/60/407921960.db2.gz GVEDMHGONICSJP-ZFWWWQNUSA-N -1 0 319.357 1.837 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000263180498 408049135 /nfs/dbraw/zinc/04/91/35/408049135.db2.gz VGVPJMVACJFHDV-RZFFKMDDSA-N -1 0 321.348 1.925 50 0 DDAARM COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])nn1 ZINC000263022722 408004139 /nfs/dbraw/zinc/00/41/39/408004139.db2.gz UDDNCWAMTRCQSQ-LLVKDONJSA-N -1 0 315.329 1.601 50 0 DDAARM CCO[C@H]1C[C@H]1C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000263240289 408069708 /nfs/dbraw/zinc/06/97/08/408069708.db2.gz TZQGRQYELAPLSF-OLZOCXBDSA-N -1 0 307.350 1.170 50 0 DDAARM Cc1cnccc1CCNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263353178 408116544 /nfs/dbraw/zinc/11/65/44/408116544.db2.gz QGTGCNBVGNXIOH-BXUZGUMPSA-N -1 0 305.378 1.685 50 0 DDAARM Cc1cc(F)ccc1-n1ccc(C(=O)NCCCC(=O)[O-])n1 ZINC000190525021 408269471 /nfs/dbraw/zinc/26/94/71/408269471.db2.gz DCOVNIOZWHHSAC-UHFFFAOYSA-N -1 0 305.309 1.914 50 0 DDAARM Cc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c(O)c1 ZINC000192994281 408681312 /nfs/dbraw/zinc/68/13/12/408681312.db2.gz GMVUTKLMLLJKBK-UHFFFAOYSA-N -1 0 303.318 1.969 50 0 DDAARM COc1ccc(-c2n[nH]cc2CN2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000252482420 408797316 /nfs/dbraw/zinc/79/73/16/408797316.db2.gz DEWVVWXNCYKLAT-CQSZACIVSA-N -1 0 317.345 1.371 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261985532 163743006 /nfs/dbraw/zinc/74/30/06/163743006.db2.gz XCRGHIHDNABDSQ-UHFFFAOYSA-N -1 0 321.308 1.892 50 0 DDAARM CS(=O)(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000299792405 410631512 /nfs/dbraw/zinc/63/15/12/410631512.db2.gz FEHKAZAVOCXDIY-DZKIICNBSA-N -1 0 323.414 1.917 50 0 DDAARM COC1CCC(CC(=O)[N-]S(=O)(=O)Cc2ccon2)CC1 ZINC000131062585 196136572 /nfs/dbraw/zinc/13/65/72/196136572.db2.gz SIOKJTCCYMMRFR-UHFFFAOYSA-N -1 0 316.379 1.216 50 0 DDAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000132934951 196298000 /nfs/dbraw/zinc/29/80/00/196298000.db2.gz OKAUPRRPRNKMQR-UHFFFAOYSA-N -1 0 305.363 1.714 50 0 DDAARM CC(C)Oc1cncc(C(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000647743813 423026159 /nfs/dbraw/zinc/02/61/59/423026159.db2.gz BSBZSWRSAZWROQ-UHFFFAOYSA-N -1 0 304.306 1.402 50 0 DDAARM Cc1c(C=C2NC(=S)NC2=O)[n-]n(-c2ccccc2)c1=O ZINC000101538542 418494271 /nfs/dbraw/zinc/49/42/71/418494271.db2.gz UKBROXYPWLIBNV-XFFZJAGNSA-N -1 0 300.343 1.232 50 0 DDAARM C[C@@H](c1ccc2c(c1)CCC(=O)N2)N1C[C@H](C(=O)[O-])CC1=O ZINC000048265692 418468555 /nfs/dbraw/zinc/46/85/55/418468555.db2.gz BQYUCPIHNCPPQJ-JOYOIKCWSA-N -1 0 302.330 1.565 50 0 DDAARM O=C(NCCc1n[nH]c(=O)[n-]1)N1CCCC[C@@H]1c1cccnc1 ZINC000426443184 419472583 /nfs/dbraw/zinc/47/25/83/419472583.db2.gz HXOWPKXDILHQLV-GFCCVEGCSA-N -1 0 316.365 1.385 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)CCc2ccc3c(c2)OCCCO3)C1 ZINC000299741572 229377521 /nfs/dbraw/zinc/37/75/21/229377521.db2.gz GMKQGBRXXKJTNV-ZDUSSCGKSA-N -1 0 319.357 1.714 50 0 DDAARM CCCOc1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000492182167 421210717 /nfs/dbraw/zinc/21/07/17/421210717.db2.gz OBMPMKUUIHNIHZ-KKTNHOPESA-N -1 0 319.357 1.801 50 0 DDAARM C[C@H](CN(C)C(=O)/C=C\c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000492179296 421210029 /nfs/dbraw/zinc/21/00/29/421210029.db2.gz GUBXSEPKBJGIMK-VLWUPBBWSA-N -1 0 305.330 1.650 50 0 DDAARM C[C@@H]1CC(NC(=O)c2cccc(-n3[n-]nnc3=N)c2)C[C@@H](C)C1 ZINC000585122239 422306753 /nfs/dbraw/zinc/30/67/53/422306753.db2.gz SFNOTUMAEPQHNX-QWRGUYRKSA-N -1 0 314.393 1.629 50 0 DDAARM CC(C)C[C@](C)([N-]S(=O)(=O)c1c(F)cccc1F)C(N)=O ZINC000069629088 279237299 /nfs/dbraw/zinc/23/72/99/279237299.db2.gz MTSDSEDAYQNJHW-ZDUSSCGKSA-N -1 0 320.361 1.533 50 0 DDAARM COc1ccc(F)cc1C(=O)N[C@@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067757219 295150211 /nfs/dbraw/zinc/15/02/11/295150211.db2.gz UVRLULZFDHRJPP-CYBMUJFWSA-N -1 0 321.308 1.730 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)[O-] ZINC000000167796 295187841 /nfs/dbraw/zinc/18/78/41/295187841.db2.gz SKOOSLKSZKOIFG-UHFFFAOYSA-N -1 0 313.375 1.958 50 0 DDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000263531397 300055282 /nfs/dbraw/zinc/05/52/82/300055282.db2.gz WRQCMIYLWXDRMH-IUCAKERBSA-N -1 0 319.329 1.839 50 0 DDAARM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000262830446 301153422 /nfs/dbraw/zinc/15/34/22/301153422.db2.gz BNUFPPGEHMDDBP-RHSMWYFYSA-N -1 0 319.357 1.761 50 0 DDAARM CC[C@@H](C(=O)NCc1cccc(-c2nn[nH]n2)c1)n1cccc1 ZINC000534641765 334305740 /nfs/dbraw/zinc/30/57/40/334305740.db2.gz ARMGSHHNTJQXDM-AWEZNQCLSA-N -1 0 310.361 1.936 50 0 DDAARM COc1cc(Cl)ccc1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000054053634 483937436 /nfs/dbraw/zinc/93/74/36/483937436.db2.gz VYQLRMVMBPASNJ-ZETCQYMHSA-N -1 0 307.755 1.442 50 0 DDAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cn1 ZINC000085321193 484004123 /nfs/dbraw/zinc/00/41/23/484004123.db2.gz IZMWUPTZIGFULR-DTWKUNHWSA-N -1 0 313.151 1.827 50 0 DDAARM CCOc1ccc(CC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000223554154 484153358 /nfs/dbraw/zinc/15/33/58/484153358.db2.gz QRQNPESPTAPNKK-CYBMUJFWSA-N -1 0 307.346 1.330 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2sccc2-n2cccc2)CCO1 ZINC000170000965 490679896 /nfs/dbraw/zinc/67/98/96/490679896.db2.gz RCORHDSGBXMSCA-LLVKDONJSA-N -1 0 320.370 1.855 50 0 DDAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C1 ZINC000020548144 696070957 /nfs/dbraw/zinc/07/09/57/696070957.db2.gz LYQQRTBHFOAYER-AOOOYVTPSA-N -1 0 313.375 1.757 50 0 DDAARM C[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)n1cnc2ccccc21 ZINC000322670676 698736012 /nfs/dbraw/zinc/73/60/12/698736012.db2.gz DNBDBKCTELNZTA-LLVKDONJSA-N -1 0 317.345 1.347 50 0 DDAARM CO[C@H](C)CS(=O)(=O)[N-]c1nccc(Br)c1C ZINC000585128824 771960519 /nfs/dbraw/zinc/96/05/19/771960519.db2.gz OJAYBDILVNSGRB-SSDOTTSWSA-N -1 0 323.212 1.929 50 0 DDAARM Cc1nn(C)c(C)c1CC(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000225448143 201709760 /nfs/dbraw/zinc/70/97/60/201709760.db2.gz GUQZBGNBBLIHJB-UHFFFAOYSA-N -1 0 315.373 1.637 50 0 DDAARM C[C@](O)(CNc1nc2ccccc2nc1N1CCCC1)C(=O)[O-] ZINC000263550539 539276186 /nfs/dbraw/zinc/27/61/86/539276186.db2.gz KMRZRMBSLXRZQX-INIZCTEOSA-N -1 0 316.361 1.478 50 0 DDAARM COc1ccc2c([O-])nn(S(=O)(=O)C[C@@H]3CCCO3)c2c1 ZINC000585086323 539555982 /nfs/dbraw/zinc/55/59/82/539555982.db2.gz ADJYRLBKGJERMT-JTQLQIEISA-N -1 0 312.347 1.107 50 0 DDAARM NC(=O)[C@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2ccc(Cl)cc21 ZINC000080357852 192151280 /nfs/dbraw/zinc/15/12/80/192151280.db2.gz JTLBHLHMNBXTSI-CHWSQXEVSA-N -1 0 321.764 1.897 50 0 DDAARM COc1cnc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)nc1 ZINC000071769366 191030322 /nfs/dbraw/zinc/03/03/22/191030322.db2.gz GUKOCAZFTOVPIS-UHFFFAOYSA-N -1 0 322.346 1.244 50 0 DDAARM CO[C@@H](Cc1ccc(I)cc1)C(=O)[O-] ZINC000148243459 186043533 /nfs/dbraw/zinc/04/35/33/186043533.db2.gz WKLRPUTUBYHXDD-VIFPVBQESA-N -1 0 306.099 1.933 50 0 DDAARM COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000072274549 191097453 /nfs/dbraw/zinc/09/74/53/191097453.db2.gz DLAORJRXHZSKIB-GFCCVEGCSA-N -1 0 307.346 1.848 50 0 DDAARM O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCCCC3)C2=O)cc1 ZINC000000062560 180681384 /nfs/dbraw/zinc/68/13/84/180681384.db2.gz PHCKCIOWVBYXTO-ZDUSSCGKSA-N -1 0 302.330 1.503 50 0 DDAARM O=C([O-])c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 ZINC000034092435 352291669 /nfs/dbraw/zinc/29/16/69/352291669.db2.gz STPIRLCPRPCNDK-YHALQVAKSA-N -1 0 301.298 1.521 50 0 DDAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccccc1 ZINC000061718627 352892903 /nfs/dbraw/zinc/89/29/03/352892903.db2.gz GULSWIZNDZSPQR-ZDUSSCGKSA-N -1 0 306.387 1.435 50 0 DDAARM CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000002164050 180913199 /nfs/dbraw/zinc/91/31/99/180913199.db2.gz DSGKPVVFBQQVSE-GFCCVEGCSA-N -1 0 308.334 1.282 50 0 DDAARM O=c1[n-]c(N2CCOCC2)nnc1Cc1ccccc1Cl ZINC000075261037 353356840 /nfs/dbraw/zinc/35/68/40/353356840.db2.gz JZTZUYMEJWCRAN-UHFFFAOYSA-N -1 0 306.753 1.658 50 0 DDAARM O=C([O-])/C=C/C(=O)NCCNc1ccc(C(F)(F)F)cn1 ZINC000004299549 181094156 /nfs/dbraw/zinc/09/41/56/181094156.db2.gz AYSJJJVTOALXHR-ONEGZZNKSA-N -1 0 303.240 1.269 50 0 DDAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000004677052 181135547 /nfs/dbraw/zinc/13/55/47/181135547.db2.gz RIQLMDXNQFFCCH-UONOGXRCSA-N -1 0 321.354 1.152 50 0 DDAARM O=C([O-])CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000003355937 304057334 /nfs/dbraw/zinc/05/73/34/304057334.db2.gz QXNDNTYCVWRFGZ-UHFFFAOYSA-N -1 0 313.253 1.338 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCN(C1Cc3ccccc3C1)C2 ZINC000092078174 304064103 /nfs/dbraw/zinc/06/41/03/304064103.db2.gz KKIDVUVTKZWUCK-UHFFFAOYSA-N -1 0 311.385 1.883 50 0 DDAARM COc1ccc2nc(C(=O)N3CCC[C@@H]3C(=O)[O-])ccc2c1 ZINC000237300273 202223046 /nfs/dbraw/zinc/22/30/46/202223046.db2.gz OYLLLVCQWKBOAS-CQSZACIVSA-N -1 0 300.314 1.933 50 0 DDAARM Cn1cc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000237704485 202333015 /nfs/dbraw/zinc/33/30/15/202333015.db2.gz AMQFLEHARFQJIU-UHFFFAOYSA-N -1 0 320.370 1.470 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nn1C(C)(C)C ZINC000237700632 202331944 /nfs/dbraw/zinc/33/19/44/202331944.db2.gz ZCEPTMGVGMOYON-NSHDSACASA-N -1 0 309.366 1.262 50 0 DDAARM Cc1nc(-c2cnn(C)c2)sc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000237732917 202340939 /nfs/dbraw/zinc/34/09/39/202340939.db2.gz DYXICXRUVUSXKW-UHFFFAOYSA-N -1 0 320.374 1.541 50 0 DDAARM Cc1ccc(-c2nc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cs2)o1 ZINC000237748282 202346461 /nfs/dbraw/zinc/34/64/61/202346461.db2.gz HORYYPWAUSSTLB-NSHDSACASA-N -1 0 322.342 1.637 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CCC(C(=O)[O-])CC3)c2)no1 ZINC000237809146 202361772 /nfs/dbraw/zinc/36/17/72/202361772.db2.gz AFMQZTHPTHGBIF-UHFFFAOYSA-N -1 0 315.329 1.982 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCCO1 ZINC000237938532 202397185 /nfs/dbraw/zinc/39/71/85/202397185.db2.gz UNLHOFVJBVXSJH-UONOGXRCSA-N -1 0 320.320 1.598 50 0 DDAARM O=C([O-])COc1ccc(CCNC(=O)[C@H]2C[C@H]2C2CC2)cc1 ZINC000237989238 202413155 /nfs/dbraw/zinc/41/31/55/202413155.db2.gz SUUXWZPYJNVKFW-GJZGRUSLSA-N -1 0 303.358 1.855 50 0 DDAARM Cn1cc(CN2CCOC[C@@H]2C(=O)[O-])c(-c2ccccc2)n1 ZINC000244774000 202495325 /nfs/dbraw/zinc/49/53/25/202495325.db2.gz PMDWDTFTGBVALN-CQSZACIVSA-N -1 0 301.346 1.373 50 0 DDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000006623288 181362122 /nfs/dbraw/zinc/36/21/22/181362122.db2.gz GUDCCJQUOSSOLO-UHFFFAOYSA-N -1 0 320.374 1.332 50 0 DDAARM COc1cc([N-]S(=O)(=O)c2cn(C)nc2C)cc(OC)c1 ZINC000006706453 181375049 /nfs/dbraw/zinc/37/50/49/181375049.db2.gz AVBKCCLWDIWHCO-UHFFFAOYSA-N -1 0 311.363 1.547 50 0 DDAARM CCC[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H]1C(=O)[O-] ZINC000091605079 193078875 /nfs/dbraw/zinc/07/88/75/193078875.db2.gz QQWQCTQVOQPUFW-DGCLKSJQSA-N -1 0 301.350 1.599 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)C[C@H]1OCCc2ccccc21 ZINC000268979383 304134761 /nfs/dbraw/zinc/13/47/61/304134761.db2.gz MCOPVVRXZCCUKJ-UONOGXRCSA-N -1 0 305.330 1.003 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000299753413 304136306 /nfs/dbraw/zinc/13/63/06/304136306.db2.gz YEAPBEIDQFSODC-JTQLQIEISA-N -1 0 308.315 1.329 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)c1noc(-c2cccc(OC)c2)n1 ZINC000262399663 203282750 /nfs/dbraw/zinc/28/27/50/203282750.db2.gz UQAJPISVWKONSC-UHFFFAOYSA-N -1 0 319.317 1.682 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000262662848 203371812 /nfs/dbraw/zinc/37/18/12/203371812.db2.gz UTQRGCXUSJHVLW-ZIAGYGMSSA-N -1 0 316.357 1.128 50 0 DDAARM O=C([O-])CSCc1nnnn1-c1cccc(C(F)(F)F)c1 ZINC000012428915 181760754 /nfs/dbraw/zinc/76/07/54/181760754.db2.gz FNFWBSLHCSHZHP-UHFFFAOYSA-N -1 0 318.280 1.999 50 0 DDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000005297513 304171186 /nfs/dbraw/zinc/17/11/86/304171186.db2.gz KKOVEKOYDFHKKJ-IHRRRGAJSA-N -1 0 317.341 1.563 50 0 DDAARM CCOc1cc(C=C2NC(=S)NC2=O)ccc1OCC(=O)[O-] ZINC000016688974 182057618 /nfs/dbraw/zinc/05/76/18/182057618.db2.gz CQVNHYFBHRJLDD-UITAMQMPSA-N -1 0 322.342 1.305 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000019708159 182137514 /nfs/dbraw/zinc/13/75/14/182137514.db2.gz UWOMSRJTBQZUKI-HZSPNIEDSA-N -1 0 301.342 1.858 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)C[C@@H]1CCOc2ccccc21 ZINC000299747479 304199528 /nfs/dbraw/zinc/19/95/28/304199528.db2.gz DDFGAVXSLQYYQM-WCQYABFASA-N -1 0 305.330 1.255 50 0 DDAARM O=C([O-])CCN(C(=O)c1cncc(Br)c1)C1CC1 ZINC000037582598 182910247 /nfs/dbraw/zinc/91/02/47/182910247.db2.gz WLOQHAYNLZQYLZ-UHFFFAOYSA-N -1 0 313.151 1.923 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2nccn2c1 ZINC000178050134 304207010 /nfs/dbraw/zinc/20/70/10/304207010.db2.gz RMUQWXGPSLVHBB-OAHLLOKOSA-N -1 0 321.336 1.986 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC000237053917 284861485 /nfs/dbraw/zinc/86/14/85/284861485.db2.gz OHADBPAWDTZNRT-CQSZACIVSA-N -1 0 318.373 1.671 50 0 DDAARM C[C@@H]1Sc2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2NC1=O ZINC000268944222 207109482 /nfs/dbraw/zinc/10/94/82/207109482.db2.gz LOPPMTOYQKSJAQ-QMMMGPOBSA-N -1 0 320.370 1.809 50 0 DDAARM COCCOc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000269023278 207172356 /nfs/dbraw/zinc/17/23/56/207172356.db2.gz JFBQOIGURIXACT-MRXNPFEDSA-N -1 0 307.346 1.649 50 0 DDAARM C[C@@H](CCOc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269034164 207181186 /nfs/dbraw/zinc/18/11/86/207181186.db2.gz NQUDULHFNPCAQX-DZGCQCFKSA-N -1 0 321.373 1.794 50 0 DDAARM O=C([O-])c1cc2n(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 ZINC000065425810 184343096 /nfs/dbraw/zinc/34/30/96/184343096.db2.gz QBZYDROQDSVPHI-UHFFFAOYSA-N -1 0 315.329 1.368 50 0 DDAARM C/C(=C/C(=O)[N-]S(=O)(=O)c1cnn(C)c1)c1ccc(F)cc1 ZINC000065648028 184375851 /nfs/dbraw/zinc/37/58/51/184375851.db2.gz BODGLCNSVQEEEH-YFHOEESVSA-N -1 0 323.349 1.468 50 0 DDAARM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088374421 299569165 /nfs/dbraw/zinc/56/91/65/299569165.db2.gz TVFKNIIFKPNCKI-CABZTGNLSA-N -1 0 313.737 1.419 50 0 DDAARM Cc1occc1C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072408034 257270794 /nfs/dbraw/zinc/27/07/94/257270794.db2.gz CAFYYGIIWVADSF-UHFFFAOYSA-N -1 0 303.318 1.501 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000000068232 406618718 /nfs/dbraw/zinc/61/87/18/406618718.db2.gz FLJTYRIRNQBLOK-UHFFFAOYSA-N -1 0 320.374 1.853 50 0 DDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000000205259 406632363 /nfs/dbraw/zinc/63/23/63/406632363.db2.gz FFFNGXGWKIDRLJ-KGLIPLIRSA-N -1 0 315.373 1.397 50 0 DDAARM COc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc(OC)c1OC ZINC000000466924 406650014 /nfs/dbraw/zinc/65/00/14/406650014.db2.gz CDGCIHIVBMFSRS-SNVBAGLBSA-N -1 0 309.318 1.402 50 0 DDAARM O=C(NC[C@@H]1CCCO1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001321721 406666866 /nfs/dbraw/zinc/66/68/66/406666866.db2.gz GTWRUSOQRWPQNY-NSHDSACASA-N -1 0 314.341 1.172 50 0 DDAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCC(N)=O ZINC000001126956 406666936 /nfs/dbraw/zinc/66/69/36/406666936.db2.gz XDHDQSZZCJPABK-UHFFFAOYSA-N -1 0 318.123 1.410 50 0 DDAARM CCn1cc(NC(=O)CCC(=O)[O-])c(C(=O)NC2CCCC2)n1 ZINC000001460415 406672009 /nfs/dbraw/zinc/67/20/09/406672009.db2.gz IEEWMOGKKMDPOG-UHFFFAOYSA-N -1 0 322.365 1.379 50 0 DDAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCCCC(=O)[O-] ZINC000002098214 406680772 /nfs/dbraw/zinc/68/07/72/406680772.db2.gz VCBCBKLSZXVRIX-UHFFFAOYSA-N -1 0 319.313 1.331 50 0 biogenic DDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCC1)C(=O)[O-] ZINC000002169523 406685259 /nfs/dbraw/zinc/68/52/59/406685259.db2.gz KZNUOIDFRKKMRF-JTQLQIEISA-N -1 0 301.339 1.840 50 0 DDAARM O=C(CNC(=O)c1ccc(F)c(F)c1)[N-]O[C@H]1CCCCO1 ZINC000069600052 406744122 /nfs/dbraw/zinc/74/41/22/406744122.db2.gz ISMUKGRZMCZLJJ-ZDUSSCGKSA-N -1 0 314.288 1.269 50 0 DDAARM CCOc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2CCOC)cc1 ZINC000069737469 406763131 /nfs/dbraw/zinc/76/31/31/406763131.db2.gz OWEDEBNTWXEUMC-ZFWWWQNUSA-N -1 0 307.346 1.706 50 0 DDAARM CS(=O)(=O)c1nc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)n[n-]1 ZINC000069527948 406729024 /nfs/dbraw/zinc/72/90/24/406729024.db2.gz MVNPDDAFJCYYOM-ZJUUUORDSA-N -1 0 324.337 1.090 50 0 DDAARM Cc1ncc2c(c1O)[C@@H](c1c([O-])[nH]c(=S)n(C)c1=O)OC2 ZINC000009190210 406804655 /nfs/dbraw/zinc/80/46/55/406804655.db2.gz HUBZMKDAYLEDJC-JTQLQIEISA-N -1 0 307.331 1.177 50 0 DDAARM CCSc1nnc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)s1 ZINC000011915217 406832317 /nfs/dbraw/zinc/83/23/17/406832317.db2.gz OAUWHFWBAJBFAT-BYPYZUCNSA-N -1 0 318.405 1.330 50 0 DDAARM COc1cc(C=C2SC(=O)NC2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000013881572 406868346 /nfs/dbraw/zinc/86/83/46/406868346.db2.gz MCFXTTYFLPQGOE-KLDHPSGWSA-N -1 0 323.326 1.871 50 0 DDAARM CC(C)N(C(=O)CSc1nncc(=O)[n-]1)c1ccccc1 ZINC000012348519 406842715 /nfs/dbraw/zinc/84/27/15/406842715.db2.gz KYOUVXXDVHIMPY-UHFFFAOYSA-N -1 0 304.375 1.699 50 0 DDAARM COc1cc2cc(C(=O)NCC(=O)[O-])[nH]c2c(OC)c1OC ZINC000035686327 406974942 /nfs/dbraw/zinc/97/49/42/406974942.db2.gz JSJOTKAEXPWKOS-UHFFFAOYSA-N -1 0 308.290 1.008 50 0 DDAARM CN(C1CCCCC1)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000037418458 406988338 /nfs/dbraw/zinc/98/83/38/406988338.db2.gz LJSIOCBIICHHBC-UHFFFAOYSA-N -1 0 304.412 1.292 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000037793290 406993942 /nfs/dbraw/zinc/99/39/42/406993942.db2.gz WUTZSCPHVZKDEV-YUMQZZPRSA-N -1 0 304.224 1.682 50 0 DDAARM Cc1ccc(C)c(OCC(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)c1C ZINC000055182969 407197480 /nfs/dbraw/zinc/19/74/80/407197480.db2.gz UVMIZCJOXZNLGF-LLVKDONJSA-N -1 0 304.350 1.279 50 0 DDAARM CC(=O)N[C@H](CC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1 ZINC000095970747 407218575 /nfs/dbraw/zinc/21/85/75/407218575.db2.gz XMZXFSGOJZOZKX-CYBMUJFWSA-N -1 0 306.362 1.481 50 0 DDAARM COC(=O)CCc1nnc([N-]S(=O)(=O)CCC2CC2)s1 ZINC000095995778 407221821 /nfs/dbraw/zinc/22/18/21/407221821.db2.gz JXQSQVDDPHVQCQ-UHFFFAOYSA-N -1 0 319.408 1.186 50 0 DDAARM CC[C@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1nc(C)c(C)s1 ZINC000067755590 407283520 /nfs/dbraw/zinc/28/35/20/407283520.db2.gz RWAWHGBNHBVHOW-JTQLQIEISA-N -1 0 322.390 1.359 50 0 DDAARM CNc1nc(-c2nc([C@@H]3CCOC3)nn2CC(=O)[O-])cs1 ZINC000097610213 407300588 /nfs/dbraw/zinc/30/05/88/407300588.db2.gz PIJANFKBQDYXTD-SSDOTTSWSA-N -1 0 309.351 1.032 50 0 DDAARM CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101054187 407308715 /nfs/dbraw/zinc/30/87/15/407308715.db2.gz CJBNWTHWSXGNKZ-UHFFFAOYSA-N -1 0 316.317 1.087 50 0 DDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1nnc2n1CCCCC2 ZINC000220081460 407537904 /nfs/dbraw/zinc/53/79/04/407537904.db2.gz JWQDKHAWIRALMT-LLVKDONJSA-N -1 0 308.382 1.768 50 0 DDAARM CC(C)(C)c1noc(CCCC(=O)N2CC[C@@H](C(=O)[O-])C2)n1 ZINC000236662428 407743023 /nfs/dbraw/zinc/74/30/23/407743023.db2.gz PZJALHCHPIPJLH-SNVBAGLBSA-N -1 0 309.366 1.623 50 0 DDAARM CC(C)(C)n1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC000236761484 407769683 /nfs/dbraw/zinc/76/96/83/407769683.db2.gz NGASIISQKFPRED-UHFFFAOYSA-N -1 0 309.366 1.344 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2nc(C3CCCC3)no2)C1 ZINC000238068928 407885268 /nfs/dbraw/zinc/88/52/68/407885268.db2.gz IXMKBECPLLVLTD-LBPRGKRZSA-N -1 0 321.377 1.983 50 0 DDAARM Cn1cc(CCC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000245266196 407950904 /nfs/dbraw/zinc/95/09/04/407950904.db2.gz JCSPFTKWVWFTFV-MJBXVCDLSA-N -1 0 305.378 1.597 50 0 DDAARM COC[C@@H](NC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000263159619 408043433 /nfs/dbraw/zinc/04/34/33/408043433.db2.gz ZRKFBCHIHHPPRN-ZCFIWIBFSA-N -1 0 308.153 1.340 50 0 DDAARM Cc1cc2c(cc1C)[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)CO2 ZINC000263220361 408061314 /nfs/dbraw/zinc/06/13/14/408061314.db2.gz YOXZWMWHBRSAFG-GFCCVEGCSA-N -1 0 315.329 1.699 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000136021260 408069236 /nfs/dbraw/zinc/06/92/36/408069236.db2.gz NQTAHGMGDPNLMJ-NWDGAFQWSA-N -1 0 321.358 1.295 50 0 DDAARM O=C([O-])c1cnc(N2CCO[C@@H](c3cccc(O)c3)C2)cn1 ZINC000263381150 408125512 /nfs/dbraw/zinc/12/55/12/408125512.db2.gz CMMHRYBMEMGNNM-CYBMUJFWSA-N -1 0 301.302 1.458 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000263366560 408119176 /nfs/dbraw/zinc/11/91/76/408119176.db2.gz WHSDTWWDALXXLX-UONOGXRCSA-N -1 0 305.330 1.116 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000263555126 408173171 /nfs/dbraw/zinc/17/31/71/408173171.db2.gz NTBXQKRPRUATSE-NSHDSACASA-N -1 0 304.346 1.858 50 0 DDAARM O=C([N-]S(=O)(=O)CCCF)c1csc([C@@H]2CCCO2)n1 ZINC000166796994 408816526 /nfs/dbraw/zinc/81/65/26/408816526.db2.gz NWAKEVYSGLUFQX-VIFPVBQESA-N -1 0 322.383 1.414 50 0 DDAARM CCC[C@@H](NC(=O)[C@H]1Cc2cc(C)c(C)cc2O1)c1nnn[n-]1 ZINC000170025333 408820120 /nfs/dbraw/zinc/82/01/20/408820120.db2.gz WKVFUNKVVMHCHQ-TZMCWYRMSA-N -1 0 315.377 1.778 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)n1 ZINC000647782673 423046325 /nfs/dbraw/zinc/04/63/25/423046325.db2.gz XLIVLCXIRWDJOV-NXEZZACHSA-N -1 0 320.736 1.758 50 0 DDAARM COCCOc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000066152158 292602629 /nfs/dbraw/zinc/60/26/29/292602629.db2.gz MYZDCZZQFOAZIW-CYBMUJFWSA-N -1 0 307.346 1.649 50 0 DDAARM O=C(Cn1[n-]c(=O)ccc1=O)N(Cc1cccs1)C1CC1 ZINC000048278038 418467992 /nfs/dbraw/zinc/46/79/92/418467992.db2.gz JAKMQZJWLAOLMN-UHFFFAOYSA-N -1 0 305.359 1.202 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262882080 222298288 /nfs/dbraw/zinc/29/82/88/222298288.db2.gz LUEWYXZEHFTSOU-AWEZNQCLSA-N -1 0 307.394 1.774 50 0 DDAARM Cc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)[N-]OCCO ZINC000408519738 418808064 /nfs/dbraw/zinc/80/80/64/418808064.db2.gz XEQKKKCCMBRDIX-ZDUSSCGKSA-N -1 0 324.377 1.601 50 0 DDAARM Cc1n[nH]c(C)c1CCCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426368157 228563643 /nfs/dbraw/zinc/56/36/43/228563643.db2.gz BYJHCCPQVZVTEE-QWHCGFSZSA-N -1 0 307.394 1.918 50 0 DDAARM Cc1cccn2c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)cnc12 ZINC000426545377 419501959 /nfs/dbraw/zinc/50/19/59/419501959.db2.gz RQGOOBANRZFFOB-GFCCVEGCSA-N -1 0 301.346 1.508 50 0 DDAARM COc1ccc(CC(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000299750640 229392587 /nfs/dbraw/zinc/39/25/87/229392587.db2.gz OEOPOMUGDLUBMW-UHFFFAOYSA-N -1 0 321.373 1.720 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CCO1 ZINC000299752715 229394817 /nfs/dbraw/zinc/39/48/17/229394817.db2.gz VDICCSWTKFLRNA-LOWVWBTDSA-N -1 0 309.749 1.756 50 0 DDAARM C[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)[C@H](C)O1 ZINC000630161979 421928471 /nfs/dbraw/zinc/92/84/71/421928471.db2.gz WKIOLBBWXAWAKI-XUJVJEKNSA-N -1 0 321.373 1.922 50 0 DDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCc3ccccc32)C1 ZINC000630252902 421990061 /nfs/dbraw/zinc/99/00/61/421990061.db2.gz QGKKUCMMSIYYBE-PBHICJAKSA-N -1 0 303.358 1.809 50 0 DDAARM CC[C@H](NC(=O)C[C@H]1c2ccccc2CCN1C(C)=O)C(=O)[O-] ZINC000237009851 287949209 /nfs/dbraw/zinc/94/92/09/287949209.db2.gz IZUAFGCHBMLQNL-GJZGRUSLSA-N -1 0 318.373 1.502 50 0 DDAARM CC(=O)Nc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1C ZINC000236754819 281875633 /nfs/dbraw/zinc/87/56/33/281875633.db2.gz NVZXGCUOPZAGMJ-CYBMUJFWSA-N -1 0 304.346 1.890 50 0 DDAARM Cc1cc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)on1 ZINC000072477554 301099206 /nfs/dbraw/zinc/09/92/06/301099206.db2.gz MCGHTWZDHRTUOO-UHFFFAOYSA-N -1 0 318.333 1.243 50 0 DDAARM Cc1cccc2c1nc(COCC(=O)[O-])n2-c1ccc(N)nc1 ZINC000067643057 302067572 /nfs/dbraw/zinc/06/75/72/302067572.db2.gz OPKBMVMKDFSQQI-UHFFFAOYSA-N -1 0 312.329 1.912 50 0 DDAARM Cn1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)OCCCO2 ZINC000035511639 302898373 /nfs/dbraw/zinc/89/83/73/302898373.db2.gz NISKOHAALLEQKS-UHFFFAOYSA-N -1 0 321.358 1.820 50 0 DDAARM COc1cncc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)c1 ZINC000530156853 303176969 /nfs/dbraw/zinc/17/69/69/303176969.db2.gz HHBQBXJOTNKPTN-UHFFFAOYSA-N -1 0 306.347 1.558 50 0 DDAARM CC(=O)N[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000005817130 332990943 /nfs/dbraw/zinc/99/09/43/332990943.db2.gz VDPZDRBXCKEVJM-KBPBESRZSA-N -1 0 304.346 1.330 50 0 DDAARM COc1cc(C2(C(=O)N3CCO[C@@H](C(=O)[O-])C3)CC2)ccc1C ZINC000299753685 533713771 /nfs/dbraw/zinc/71/37/71/533713771.db2.gz YYVTWGHIORQFMG-CQSZACIVSA-N -1 0 319.357 1.347 50 0 DDAARM C[C@H](c1ccc(-c2ncn(CC(=O)[O-])n2)cc1)N1CCOCC1 ZINC000534652515 334312565 /nfs/dbraw/zinc/31/25/65/334312565.db2.gz SVQXLKLZXHZDHR-GFCCVEGCSA-N -1 0 316.361 1.423 50 0 DDAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1cccnc1 ZINC000096408038 484018946 /nfs/dbraw/zinc/01/89/46/484018946.db2.gz NTDYLHUEHPDVNF-UHFFFAOYSA-N -1 0 318.402 2.268 50 0 DDAARM Cc1cc2c(cc1C)[C@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])CO2 ZINC000263518313 484275777 /nfs/dbraw/zinc/27/57/77/484275777.db2.gz FUYQEVKJWOKRAI-GXTWGEPZSA-N -1 0 319.357 1.482 50 0 DDAARM O=C([O-])C1(C(=O)N2CC[C@@H](N3CCOCC3)C2)CCCCCC1 ZINC000663067138 484641454 /nfs/dbraw/zinc/64/14/54/484641454.db2.gz QXYOXLHANSYBPU-CQSZACIVSA-N -1 0 324.421 1.345 50 0 DDAARM CCN(CCOc1ccccc1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000670471845 484849398 /nfs/dbraw/zinc/84/93/98/484849398.db2.gz CTBYQWSEHHSBRP-AWEZNQCLSA-N -1 0 306.362 1.960 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000299747280 534526320 /nfs/dbraw/zinc/52/63/20/534526320.db2.gz CKYQOYDZZBRNKI-CDMKHQONSA-N -1 0 311.284 1.380 50 0 DDAARM Cc1oc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1C(=O)[O-] ZINC000299743653 534544805 /nfs/dbraw/zinc/54/48/05/534544805.db2.gz OIDUJYXFFJISMJ-CQSZACIVSA-N -1 0 301.298 1.906 50 0 DDAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017030775 524391685 /nfs/dbraw/zinc/39/16/85/524391685.db2.gz CYCHRHPBMWTCJC-LLVKDONJSA-N -1 0 302.334 1.766 50 0 DDAARM CC(C)[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000299750196 528351641 /nfs/dbraw/zinc/35/16/41/528351641.db2.gz MUOYMIKVFYYZAT-RNJOBUHISA-N -1 0 300.399 1.052 50 0 DDAARM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299745957 529157333 /nfs/dbraw/zinc/15/73/33/529157333.db2.gz UHRUNYVQOILMFH-CRWXNKLISA-N -1 0 313.394 1.672 50 0 DDAARM CC[C@H](Oc1ccccc1C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299743778 529163593 /nfs/dbraw/zinc/16/35/93/529163593.db2.gz MEBTTXPZPUSRHZ-GXTWGEPZSA-N -1 0 307.346 1.464 50 0 DDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000170067931 545647890 /nfs/dbraw/zinc/64/78/90/545647890.db2.gz GCXJWZZXJUJZRN-ONGXEEELSA-N -1 0 318.308 1.390 50 0 DDAARM Cc1sc(=O)n(CC(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC000170065826 545648090 /nfs/dbraw/zinc/64/80/90/545648090.db2.gz YZPFWLWVNSMTMX-UHFFFAOYSA-N -1 0 320.370 1.541 50 0 DDAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc([S@](=O)[O-])cc2)C1 ZINC000675059210 563910303 /nfs/dbraw/zinc/91/03/03/563910303.db2.gz DDKVKARIFRJMMK-PHIMTYICSA-N -1 0 317.432 1.934 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000169967172 563901985 /nfs/dbraw/zinc/90/19/85/563901985.db2.gz XSQUXEPKVXRTMU-ZDUSSCGKSA-N -1 0 303.293 1.701 50 0 DDAARM COc1ccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)cc1OC ZINC000032276273 696123757 /nfs/dbraw/zinc/12/37/57/696123757.db2.gz ZVMHOGGYUSRRSF-DQOPKJQZSA-N -1 0 316.309 1.932 50 0 DDAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)c1c[nH]c3ccccc13)C2 ZINC000067770942 696364079 /nfs/dbraw/zinc/36/40/79/696364079.db2.gz MHUHYCWNVIZTMF-UHFFFAOYSA-N -1 0 324.340 1.798 50 0 DDAARM O=C([O-])C1(CNC(=O)c2ccc3n[nH]nc3c2)CCCCC1 ZINC000179192098 697434894 /nfs/dbraw/zinc/43/48/94/697434894.db2.gz BBOYYIQXIIIZAQ-UHFFFAOYSA-N -1 0 302.334 1.723 50 0 DDAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])SCC(=O)N2C2CC2)cc1 ZINC000824659941 759193939 /nfs/dbraw/zinc/19/39/39/759193939.db2.gz RHSHGLMOCVKMFS-KBPBESRZSA-N -1 0 307.371 1.927 50 0 DDAARM C[C@@H](NC(=O)c1cccc(C(=O)[O-])n1)c1nc(C(C)(C)C)no1 ZINC000262406443 539275741 /nfs/dbraw/zinc/27/57/41/539275741.db2.gz NFYIPOPXRXILBY-MRVPVSSYSA-N -1 0 318.333 1.951 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnn(-c2cccnc2)c1 ZINC000262662522 539275832 /nfs/dbraw/zinc/27/58/32/539275832.db2.gz MFLXPPNBSAFGLW-ZDUSSCGKSA-N -1 0 300.318 1.347 50 0 DDAARM CCC[C@H](CNC(=O)c1ccc(-n2cncn2)cc1C)C(=O)[O-] ZINC000263096141 539276007 /nfs/dbraw/zinc/27/60/07/539276007.db2.gz FBAIZMFOXYHKDS-GFCCVEGCSA-N -1 0 316.361 1.806 50 0 DDAARM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)n(C)n1 ZINC000095399189 185353809 /nfs/dbraw/zinc/35/38/09/185353809.db2.gz JMBNZUVMFJLQPA-GFCCVEGCSA-N -1 0 305.309 1.813 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 ZINC000095425355 185361550 /nfs/dbraw/zinc/36/15/50/185361550.db2.gz CYYWWRUYMFZIBB-LBPRGKRZSA-N -1 0 309.749 1.684 50 0 DDAARM C[C@@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000095425444 185361644 /nfs/dbraw/zinc/36/16/44/185361644.db2.gz NTYRHLLOLFKEGQ-SKDRFNHKSA-N -1 0 306.318 1.007 50 0 DDAARM O=C([O-])c1coc(CN2CCN(c3ccccc3F)CC2)n1 ZINC000067446721 190708711 /nfs/dbraw/zinc/70/87/11/190708711.db2.gz IMMQYRHAVWTTNZ-UHFFFAOYSA-N -1 0 305.309 1.834 50 0 DDAARM CCC(C)(C)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940712 539564783 /nfs/dbraw/zinc/56/47/83/539564783.db2.gz RSCFHFNJRBVULI-TUAOUCFPSA-N -1 0 308.382 1.625 50 0 DDAARM CC(=O)c1cc(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])cs1 ZINC000072165039 191064759 /nfs/dbraw/zinc/06/47/59/191064759.db2.gz LMQIWOJBSOKOGM-NSHDSACASA-N -1 0 311.359 1.195 50 0 DDAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2cnn(C)c2)cc1 ZINC000072277075 191099212 /nfs/dbraw/zinc/09/92/12/191099212.db2.gz WYKJOVLUAMDXKO-OAHLLOKOSA-N -1 0 315.373 1.993 50 0 DDAARM CC(C)(C)OC(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002516940 180930729 /nfs/dbraw/zinc/93/07/29/180930729.db2.gz JIYZOHCBABALOE-VIFPVBQESA-N -1 0 318.370 1.879 50 0 DDAARM O=C([O-])C1(c2ccc(I)cc2)COC1 ZINC000095630846 304034911 /nfs/dbraw/zinc/03/49/11/304034911.db2.gz VYZILXUEABUOEY-UHFFFAOYSA-N -1 0 304.083 1.644 50 0 DDAARM C[C@H](CN(C)S(=O)(=O)c1cccc(Cl)c1)c1nnn[n-]1 ZINC000097377624 353919357 /nfs/dbraw/zinc/91/93/57/353919357.db2.gz NMSJRLUFMPEDLL-MRVPVSSYSA-N -1 0 315.786 1.277 50 0 DDAARM COCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000004488739 181114600 /nfs/dbraw/zinc/11/46/00/181114600.db2.gz ANUJABXYVZIPGJ-LDYMZIIASA-N -1 0 323.345 1.290 50 0 DDAARM Cn1nc(C(C)(C)C)cc1C(=O)NCc1nc(C(=O)[O-])co1 ZINC000585134563 354811194 /nfs/dbraw/zinc/81/11/94/354811194.db2.gz ZOVXQYFSVYZJGU-UHFFFAOYSA-N -1 0 306.322 1.334 50 0 DDAARM CN(CCC(=O)[O-])C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 ZINC000237229258 202197355 /nfs/dbraw/zinc/19/73/55/202197355.db2.gz QKXZAJRSYWJIHZ-RMKNXTFCSA-N -1 0 316.357 1.760 50 0 DDAARM Cc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c2cnn(C(C)C)c2n1 ZINC000178262996 198839838 /nfs/dbraw/zinc/83/98/38/198839838.db2.gz ZDLULQRMEVRPBH-LLVKDONJSA-N -1 0 316.361 1.867 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CCOc3ccccc32)CCO1 ZINC000269047506 304077168 /nfs/dbraw/zinc/07/71/68/304077168.db2.gz UDGLTSGXAZTJCK-YPMHNXCESA-N -1 0 305.330 1.255 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)nc1 ZINC000072420326 304078803 /nfs/dbraw/zinc/07/88/03/304078803.db2.gz PABNKXXVDUODHJ-SECBINFHSA-N -1 0 318.251 1.416 50 0 DDAARM Cc1cc2[nH]c(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2c(C)c1 ZINC000237621505 202308155 /nfs/dbraw/zinc/30/81/55/202308155.db2.gz PKFVPVAEBOMXMV-CQSZACIVSA-N -1 0 302.330 1.710 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000237651091 202318803 /nfs/dbraw/zinc/31/88/03/202318803.db2.gz RWDMIJDQNKIPHA-BZNIZROVSA-N -1 0 308.378 1.101 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)CCO1 ZINC000237966117 202406719 /nfs/dbraw/zinc/40/67/19/202406719.db2.gz XTKSMLQBJLOKSO-LLVKDONJSA-N -1 0 317.263 1.560 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)c2ccc3c(c2)OCCCO3)CCSC1 ZINC000271896014 209305001 /nfs/dbraw/zinc/30/50/01/209305001.db2.gz RZYBDXVHLLCTNG-OAHLLOKOSA-N -1 0 323.370 1.538 50 0 DDAARM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCC[C@H]1CCO ZINC000194552384 201249866 /nfs/dbraw/zinc/24/98/66/201249866.db2.gz RXXSKPCMRYAPHN-AXFHLTTASA-N -1 0 324.343 1.357 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2oc(C)nc2C)C1 ZINC000091593815 193076770 /nfs/dbraw/zinc/07/67/70/193076770.db2.gz REIYGVILYOMYGZ-OAHLLOKOSA-N -1 0 310.350 1.635 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cnn(-c3ccc(F)cc3)n2)C1 ZINC000170067937 304128006 /nfs/dbraw/zinc/12/80/06/304128006.db2.gz GCXJWZZXJUJZRN-KOLCDFICSA-N -1 0 318.308 1.390 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(OC2CCCC2)c1 ZINC000262500267 203309954 /nfs/dbraw/zinc/30/99/54/203309954.db2.gz NLBOROSCHPAFMM-OAHLLOKOSA-N -1 0 319.357 1.934 50 0 DDAARM O=C([O-])[C@@]12CCC(=O)N1c1ccccc1-c1nc(C3CC3)nn12 ZINC000408525846 304165215 /nfs/dbraw/zinc/16/52/15/304165215.db2.gz YHDGIYKHVRUGDP-INIZCTEOSA-N -1 0 310.313 1.700 50 0 DDAARM CNC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348895 181845313 /nfs/dbraw/zinc/84/53/13/181845313.db2.gz SXURYRQGOQAKMR-UHFFFAOYSA-N -1 0 300.365 1.419 50 0 DDAARM CCOC(=O)C1=C(C)N(CC(=O)[O-])C(=O)N[C@@H]1c1ccccc1 ZINC000014246073 181941975 /nfs/dbraw/zinc/94/19/75/181941975.db2.gz NXASPNKYEXNBBD-CQSZACIVSA-N -1 0 318.329 1.675 50 0 DDAARM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2C)cc1 ZINC000017945655 182088120 /nfs/dbraw/zinc/08/81/20/182088120.db2.gz SPKWBWGLHCXNMK-UHFFFAOYSA-N -1 0 321.358 1.225 50 0 DDAARM C[C@@H](C(=O)[O-])N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000020130803 182189708 /nfs/dbraw/zinc/18/97/08/182189708.db2.gz CBIFWCOHENHKGK-ZETCQYMHSA-N -1 0 311.281 1.945 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2cc3c(s2)CCCC3)n1 ZINC000020614951 182239672 /nfs/dbraw/zinc/23/96/72/182239672.db2.gz QDOPOZXNLVHBDC-UHFFFAOYSA-N -1 0 319.386 1.989 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2C[C@H]2C)cc1OC ZINC000039707352 183021405 /nfs/dbraw/zinc/02/14/05/183021405.db2.gz FSNWQCIXSAIILV-USWWRNFRSA-N -1 0 307.346 1.992 50 0 DDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cccc(CN2CCCC2=O)c1 ZINC000268921625 304204674 /nfs/dbraw/zinc/20/46/74/304204674.db2.gz SUIOFQCBMLWELO-KGLIPLIRSA-N -1 0 316.357 1.146 50 0 DDAARM Cc1cccc(NC(=O)[C@H](C)Sc2n[nH]c(=O)[n-]c2=O)c1 ZINC000041606016 183209660 /nfs/dbraw/zinc/20/96/60/183209660.db2.gz PFCXZRMMHPNAGD-QMMMGPOBSA-N -1 0 306.347 1.298 50 0 DDAARM Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1n[nH]c(=O)[n-]c1=O ZINC000041606023 183209675 /nfs/dbraw/zinc/20/96/75/183209675.db2.gz BSHDCKKSYMEOSY-SECBINFHSA-N -1 0 320.374 1.607 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)COc2ccc(F)cc2F)CCSC1 ZINC000043510316 183368725 /nfs/dbraw/zinc/36/87/25/183368725.db2.gz YEHXRQUOZPIZBL-CYBMUJFWSA-N -1 0 317.313 1.420 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000043700475 183382019 /nfs/dbraw/zinc/38/20/19/183382019.db2.gz HRLXZYGDSZKLSM-SECBINFHSA-N -1 0 304.129 1.919 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000268891306 207060250 /nfs/dbraw/zinc/06/02/50/207060250.db2.gz IVMQUSXXLZJCMN-JHJVBQTASA-N -1 0 317.341 1.842 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(OCC(F)(F)F)cc1 ZINC000268911270 207079513 /nfs/dbraw/zinc/07/95/13/207079513.db2.gz NIRSEFWJQINJSC-WDEREUQCSA-N -1 0 317.263 1.965 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cnc(-c3ncccn3)s2)C1 ZINC000268932483 207097094 /nfs/dbraw/zinc/09/70/94/207097094.db2.gz ANSFUEZCVLBCJL-AWEZNQCLSA-N -1 0 318.358 1.537 50 0 DDAARM Cc1cccc(NC(=O)[C@@H](Cc2cccnc2)c2nnn[n-]2)c1 ZINC000057523569 184040757 /nfs/dbraw/zinc/04/07/57/184040757.db2.gz DAUOSYNPQGQLCD-AWEZNQCLSA-N -1 0 308.345 1.868 50 0 DDAARM Cc1nn(-c2ccccc2)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268974246 207136871 /nfs/dbraw/zinc/13/68/71/207136871.db2.gz IQDOAGSZUGXMJV-CQSZACIVSA-N -1 0 315.329 1.106 50 0 DDAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cn12 ZINC000065199165 184314266 /nfs/dbraw/zinc/31/42/66/184314266.db2.gz AHWHZHDWGBFSHU-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM Cc1c(Cl)cccc1NC(=O)CC(=O)N[C@H](C)c1nnn[n-]1 ZINC000065420577 184341583 /nfs/dbraw/zinc/34/15/83/184341583.db2.gz JQQCIHNFSGBUDI-MRVPVSSYSA-N -1 0 322.756 1.368 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C1 ZINC000269188259 207308915 /nfs/dbraw/zinc/30/89/15/207308915.db2.gz NGDMXRJFOFEVNK-GFCCVEGCSA-N -1 0 316.357 1.437 50 0 DDAARM O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CCCCC3)C2=O)c1 ZINC000100857670 304260807 /nfs/dbraw/zinc/26/08/07/304260807.db2.gz JQBQIPGJJTZKRD-CYBMUJFWSA-N -1 0 302.330 1.503 50 0 DDAARM CCN1C(=O)c2cccc3cc(S(=O)(=O)[O-])cc(c32)C1=O ZINC000094993260 285177005 /nfs/dbraw/zinc/17/70/05/285177005.db2.gz ZAWXKZQKTACVQV-UHFFFAOYSA-N -1 0 305.311 1.702 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237110235 288388826 /nfs/dbraw/zinc/38/88/26/288388826.db2.gz BHPQCURQDAASIP-QPUJVOFHSA-N -1 0 324.299 1.157 50 0 DDAARM CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1Cl ZINC000016489819 256526847 /nfs/dbraw/zinc/52/68/47/256526847.db2.gz TXMHLIGTCIWMSN-SSDOTTSWSA-N -1 0 307.755 1.490 50 0 DDAARM CCc1nc(=NCc2cnc(Br)cn2)s[n-]1 ZINC000521398598 257234594 /nfs/dbraw/zinc/23/45/94/257234594.db2.gz SXBAUQIEIWUURE-UHFFFAOYSA-N -1 0 300.185 1.687 50 0 DDAARM Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)C2 ZINC000122820033 195505830 /nfs/dbraw/zinc/50/58/30/195505830.db2.gz RRFWRTKHYZFUPF-CYBMUJFWSA-N -1 0 315.329 1.527 50 0 DDAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299752550 533665926 /nfs/dbraw/zinc/66/59/26/533665926.db2.gz UOEDHWXPNYNUNO-SMDDNHRTSA-N -1 0 309.337 1.706 50 0 DDAARM CCCc1cc(C(=O)[N-]S(=O)(=O)c2cccc(OC)c2)[nH]n1 ZINC000069365516 406699936 /nfs/dbraw/zinc/69/99/36/406699936.db2.gz WCPVEWKMQYVBRP-UHFFFAOYSA-N -1 0 323.374 1.490 50 0 DDAARM O=C([O-])c1cccc(NC2=NS(=O)(=O)c3ccccc32)c1 ZINC000000367487 406642880 /nfs/dbraw/zinc/64/28/80/406642880.db2.gz QMQAKWQFIWQLTK-UHFFFAOYSA-N -1 0 302.311 1.946 50 0 DDAARM NC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1[O-] ZINC000000386181 406645115 /nfs/dbraw/zinc/64/51/15/406645115.db2.gz UDQSREMKVWTFLH-UHFFFAOYSA-N -1 0 310.306 1.431 50 0 DDAARM CC[C@@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)[O-] ZINC000005610910 406736424 /nfs/dbraw/zinc/73/64/24/406736424.db2.gz TWYPIZYPRBIZKW-SNVBAGLBSA-N -1 0 305.359 1.770 50 0 DDAARM O=C([N-]O[C@H]1CCCCO1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000069569091 406736389 /nfs/dbraw/zinc/73/63/89/406736389.db2.gz RLEDWXKJKUQEOI-NHYWBVRUSA-N -1 0 322.336 1.753 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c[nH]1 ZINC000007006981 406748001 /nfs/dbraw/zinc/74/80/01/406748001.db2.gz XKHCWTAKODBNJW-UHFFFAOYSA-N -1 0 316.285 1.880 50 0 DDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1cccc2cccnc21 ZINC000007717833 406767312 /nfs/dbraw/zinc/76/73/12/406767312.db2.gz YZUKJNVWALQQIV-UHFFFAOYSA-N -1 0 310.313 1.114 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)C)cc1 ZINC000003025640 406710704 /nfs/dbraw/zinc/71/07/04/406710704.db2.gz LDSGUXFBFHMUGL-LBPRGKRZSA-N -1 0 301.364 1.473 50 0 DDAARM COc1ccc(CNC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000009689664 406812950 /nfs/dbraw/zinc/81/29/50/406812950.db2.gz IPDKXAMZFUULBX-UHFFFAOYSA-N -1 0 320.374 1.303 50 0 DDAARM O=C([O-])c1cc(-c2cccs2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000011801500 406831077 /nfs/dbraw/zinc/83/10/77/406831077.db2.gz CFTNFPGJYZBADA-MRVPVSSYSA-N -1 0 312.372 1.669 50 0 DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 ZINC000013267708 406861783 /nfs/dbraw/zinc/86/17/83/406861783.db2.gz QCYIGVVBNSLJRX-ZDUSSCGKSA-N -1 0 309.387 1.661 50 0 DDAARM CCn1c2ccccc2nc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000013640718 406864728 /nfs/dbraw/zinc/86/47/28/406864728.db2.gz LAMHMAGOQOBGQP-UHFFFAOYSA-N -1 0 313.317 1.740 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c[nH]1 ZINC000019993647 406886709 /nfs/dbraw/zinc/88/67/09/406886709.db2.gz RSQOIVGTROHNOX-UHFFFAOYSA-N -1 0 302.258 1.792 50 0 DDAARM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[NH+]1CCN(C=O)CC1 ZINC000020734559 406887538 /nfs/dbraw/zinc/88/75/38/406887538.db2.gz KGQYWPAOLKXSDW-OAHLLOKOSA-N -1 0 301.346 1.376 50 0 DDAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(-n2cccn2)nc1 ZINC000026539605 406906115 /nfs/dbraw/zinc/90/61/15/406906115.db2.gz NEAQCRKQYQBJBU-UHFFFAOYSA-N -1 0 318.362 1.408 50 0 DDAARM Cc1ccc(-c2ccnc(N[C@H](C)c3n[nH]c(=O)[n-]3)n2)c(C)n1 ZINC000071552111 406841256 /nfs/dbraw/zinc/84/12/56/406841256.db2.gz ZUZPDYWLAYRMRU-SNVBAGLBSA-N -1 0 311.349 1.740 50 0 DDAARM COc1ccc([C@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)cc1 ZINC000012391741 406843755 /nfs/dbraw/zinc/84/37/55/406843755.db2.gz CROVLYZKVXXNPT-SNVBAGLBSA-N -1 0 313.309 1.994 50 0 DDAARM CC(C)[C@H](NS(=O)(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000036293959 406978377 /nfs/dbraw/zinc/97/83/77/406978377.db2.gz WUUMTMYUEVUZRI-LBPRGKRZSA-N -1 0 308.359 1.622 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nccs2)c(OC)c1 ZINC000028248618 406917631 /nfs/dbraw/zinc/91/76/31/406917631.db2.gz UGBFDMFWXAMZAF-UHFFFAOYSA-N -1 0 300.361 1.961 50 0 DDAARM C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000036722485 406982632 /nfs/dbraw/zinc/98/26/32/406982632.db2.gz KIJHCCWQWZTUBS-LBPRGKRZSA-N -1 0 300.673 1.331 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 ZINC000037406440 406988825 /nfs/dbraw/zinc/98/88/25/406988825.db2.gz UPHVXMJYCGJMAN-UHFFFAOYSA-N -1 0 311.359 1.107 50 0 DDAARM Cc1cc(N2CCOC[C@H](CO)C2)nc(-c2ccccc2[O-])n1 ZINC000077390226 406989038 /nfs/dbraw/zinc/98/90/38/406989038.db2.gz SGIUIZWZJNYMFG-ZDUSSCGKSA-N -1 0 315.373 1.603 50 0 DDAARM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cnn(CCC(=O)[O-])c2)C1 ZINC000091691368 407182804 /nfs/dbraw/zinc/18/28/04/407182804.db2.gz UWFRAWMGTXOPTB-HNNXBMFYSA-N -1 0 309.366 1.435 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)NCC2CC2)c(Br)o1 ZINC000055312967 407200238 /nfs/dbraw/zinc/20/02/38/407200238.db2.gz GHDOGGDLDKJZDR-UHFFFAOYSA-N -1 0 324.152 1.429 50 0 DDAARM O=C([O-])[C@@H](c1cccc(C(=O)NC2CC2)c1)N1CCSCC1 ZINC000095357224 407208359 /nfs/dbraw/zinc/20/83/59/407208359.db2.gz XHCNTLYEMZKTLX-CQSZACIVSA-N -1 0 320.414 1.753 50 0 DDAARM CCC[C@H](NC(=O)c1ccc(Br)o1)c1nnn[n-]1 ZINC000096459593 407270120 /nfs/dbraw/zinc/27/01/20/407270120.db2.gz HWBOOPNZCGZRMX-LURJTMIESA-N -1 0 314.143 1.826 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc(C(C)C)n[nH]1)C(=O)[O-] ZINC000067586939 407276509 /nfs/dbraw/zinc/27/65/09/407276509.db2.gz LBSAAWXCVITAEP-LBPRGKRZSA-N -1 0 305.338 1.429 50 0 DDAARM CCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000225471578 407588104 /nfs/dbraw/zinc/58/81/04/407588104.db2.gz BQATYUDTVJOFAU-SNVBAGLBSA-N -1 0 301.364 1.234 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CCO1 ZINC000262030300 407716357 /nfs/dbraw/zinc/71/63/57/407716357.db2.gz YTBFGQZPTVCTQS-SNVBAGLBSA-N -1 0 319.235 1.511 50 0 DDAARM O=C([O-])CCC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000116351212 407746399 /nfs/dbraw/zinc/74/63/99/407746399.db2.gz FPIJQZLXGKIHRW-UHFFFAOYSA-N -1 0 324.352 1.214 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000236712983 407758889 /nfs/dbraw/zinc/75/88/89/407758889.db2.gz QPTQYVZKZNUGJN-LLVKDONJSA-N -1 0 308.309 1.573 50 0 DDAARM O=C([O-])CN(C(=O)c1ccc(-n2cncn2)c(F)c1)C1CC1 ZINC000238089485 407886785 /nfs/dbraw/zinc/88/67/85/407886785.db2.gz QOQKXXOWGUTTLI-UHFFFAOYSA-N -1 0 304.281 1.096 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000238083980 407887094 /nfs/dbraw/zinc/88/70/94/407887094.db2.gz WSDMYPQTUOAJBT-CYBMUJFWSA-N -1 0 303.293 1.701 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)o1 ZINC000238125432 407893577 /nfs/dbraw/zinc/89/35/77/407893577.db2.gz PURUOCXZRGIUCO-CYBMUJFWSA-N -1 0 305.261 1.737 50 0 DDAARM Cc1ccc(C(C)C)c(OCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262908778 407966055 /nfs/dbraw/zinc/96/60/55/407966055.db2.gz CJHZIDGVWYBTTQ-OAHLLOKOSA-N -1 0 321.373 1.809 50 0 DDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC000262990909 407996697 /nfs/dbraw/zinc/99/66/97/407996697.db2.gz KCVMTBKFLVVTSU-CHWSQXEVSA-N -1 0 323.393 1.552 50 0 DDAARM Cc1c(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])nn1C ZINC000263212770 408058675 /nfs/dbraw/zinc/05/86/75/408058675.db2.gz NQLKABJOAQCGNZ-LLVKDONJSA-N -1 0 321.764 1.808 50 0 DDAARM Cc1n[nH]c(C)c1S(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000154752831 408078364 /nfs/dbraw/zinc/07/83/64/408078364.db2.gz BTNVUVDYCHNJLO-UHFFFAOYSA-N -1 0 309.347 1.550 50 0 DDAARM Cc1ccn(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(=O)c1 ZINC000263411095 408133102 /nfs/dbraw/zinc/13/31/02/408133102.db2.gz IXOIIWBISXLINN-MJBXVCDLSA-N -1 0 318.373 1.401 50 0 DDAARM COc1ccc2[nH]c(C(=O)N3CC[C@](F)(C(=O)[O-])C3)cc2c1 ZINC000263556778 408172164 /nfs/dbraw/zinc/17/21/64/408172164.db2.gz ZGEHTYWATFBCNX-OAHLLOKOSA-N -1 0 306.293 1.815 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)CN2C(=O)CSc3ccccc32)C1 ZINC000269171681 408227784 /nfs/dbraw/zinc/22/77/84/408227784.db2.gz HTTOJKWGWGXVAS-SNVBAGLBSA-N -1 0 320.370 1.058 50 0 DDAARM Cc1cc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)n(C)n1 ZINC000193086549 408691667 /nfs/dbraw/zinc/69/16/67/408691667.db2.gz CVWRIOKAGMDIGT-INIZCTEOSA-N -1 0 301.346 1.501 50 0 DDAARM CC(C)C[C@@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC000178289866 408799895 /nfs/dbraw/zinc/79/98/95/408799895.db2.gz PBAVWMHCEPOUQA-YIZRAAEISA-N -1 0 324.299 1.059 50 0 DDAARM CC[C@@H]1C(=O)NCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237068628 286981319 /nfs/dbraw/zinc/98/13/19/286981319.db2.gz XBBWMZFOSYJVGA-OQHXTRMZSA-N -1 0 302.330 1.135 50 0 DDAARM COc1ncccc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000320907868 164043164 /nfs/dbraw/zinc/04/31/64/164043164.db2.gz UWMVZKIRGZJPAU-CQSZACIVSA-N -1 0 312.325 1.914 50 0 DDAARM CC[C@@](NC(=O)c1cc(C)nn1C)(C(=O)[O-])c1ccccc1 ZINC000262508714 287404448 /nfs/dbraw/zinc/40/44/48/287404448.db2.gz ZXYBICXAMBTZBZ-INIZCTEOSA-N -1 0 301.346 1.848 50 0 DDAARM COC(=O)C[C@@H](NC(=O)/C=C\C(=O)[O-])c1cccc(C)c1C ZINC000102475794 418495083 /nfs/dbraw/zinc/49/50/83/418495083.db2.gz UPIZMTHUUZSLBR-MEJMFZKBSA-N -1 0 305.330 1.665 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)NCc1cc(F)cc(C(F)(F)F)c1 ZINC000426373627 419450099 /nfs/dbraw/zinc/45/00/99/419450099.db2.gz NWZMAYJEEDBEGO-UHFFFAOYSA-N -1 0 318.230 1.527 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(Cn3ccnc3)CC2)C1 ZINC000426689846 419530391 /nfs/dbraw/zinc/53/03/91/419530391.db2.gz JEFNILTYANQAMS-UONOGXRCSA-N -1 0 305.378 1.623 50 0 DDAARM O=C(/C=C\c1ccncn1)[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000492671151 420623874 /nfs/dbraw/zinc/62/38/74/420623874.db2.gz MVPNSGFVWFDOFA-UTCJRWHESA-N -1 0 307.306 1.134 50 0 DDAARM COc1cc(/C=C\C(=O)N(C)[C@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000492214480 421214841 /nfs/dbraw/zinc/21/48/41/421214841.db2.gz OFWICGVKALEMDY-UMCURTJPSA-N -1 0 321.329 1.411 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000492233318 421216674 /nfs/dbraw/zinc/21/66/74/421216674.db2.gz SZHANHVMDIYWJA-RNZFLTOJSA-N -1 0 305.330 1.650 50 0 DDAARM CN(C(=O)c1cnn(C2CC2)c1)c1ccc(OCC(=O)[O-])cc1 ZINC000630187455 421945101 /nfs/dbraw/zinc/94/51/01/421945101.db2.gz PMZXZEKJBCIUHB-UHFFFAOYSA-N -1 0 315.329 1.958 50 0 DDAARM CCCCOc1ncccc1CNC(=O)CCc1nnn[n-]1 ZINC000585120925 422306862 /nfs/dbraw/zinc/30/68/62/422306862.db2.gz XITRQVVMTDBUQE-UHFFFAOYSA-N -1 0 304.354 1.023 50 0 DDAARM CC(C)[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000247333519 279772909 /nfs/dbraw/zinc/77/29/09/279772909.db2.gz VMUJQPIHXFKMFA-SYQHCUMBSA-N -1 0 312.410 1.053 50 0 DDAARM CO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000068063850 293374138 /nfs/dbraw/zinc/37/41/38/293374138.db2.gz QWOSFGBXDNAEJU-JTQLQIEISA-N -1 0 314.288 1.570 50 0 DDAARM COc1ccc(C(N)=O)cc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071288040 295102598 /nfs/dbraw/zinc/10/25/98/295102598.db2.gz WYCDMNNQVICBOG-WDEREUQCSA-N -1 0 306.318 1.089 50 0 DDAARM COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000012382015 295146873 /nfs/dbraw/zinc/14/68/73/295146873.db2.gz TZOYTIBZVMZYKI-NSHDSACASA-N -1 0 321.782 1.736 50 0 DDAARM Cc1ccc(CN2C[C@H](C(=O)N(C)CCC(=O)[O-])CC2=O)cc1 ZINC000268934958 301585585 /nfs/dbraw/zinc/58/55/85/301585585.db2.gz NJUNVYYAFGZYBQ-CQSZACIVSA-N -1 0 318.373 1.277 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nc1 ZINC000265298166 303342886 /nfs/dbraw/zinc/34/28/86/303342886.db2.gz JAWDYSORCRPCNN-WQAKAFBOSA-N -1 0 317.345 1.038 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2nc3ccccc3o2)CCO1 ZINC000387122681 325764103 /nfs/dbraw/zinc/76/41/03/325764103.db2.gz HVWWMQDBNOPGKS-FJOGCWAESA-N -1 0 302.286 1.153 50 0 DDAARM O=C([O-])[C@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)CCO1 ZINC000534646749 334306956 /nfs/dbraw/zinc/30/69/56/334306956.db2.gz IKLLARSWIRCOCU-CQSZACIVSA-N -1 0 305.309 1.297 50 0 DDAARM CCc1nc(=NC[C@H](CO)Cc2ccncc2Cl)s[n-]1 ZINC000585092236 483920891 /nfs/dbraw/zinc/92/08/91/483920891.db2.gz KSTXNWZJNIEXOE-SECBINFHSA-N -1 0 312.826 1.834 50 0 DDAARM Cc1csc2nc(C)nc(N[C@@H]3C[C@@H](C(=O)[O-])C[C@H]3O)c12 ZINC000662898593 484529085 /nfs/dbraw/zinc/52/90/85/484529085.db2.gz UZULAPLXXZYWNL-OPRDCNLKSA-N -1 0 307.375 1.944 50 0 DDAARM C[C@H]1Cc2cc(C(=O)N3C[C@@H](C)O[C@@H](C(=O)[O-])C3)ccc2O1 ZINC000659163357 484664942 /nfs/dbraw/zinc/66/49/42/484664942.db2.gz SDVUHJYGYYSWHP-IMSIIYSGSA-N -1 0 305.330 1.324 50 0 DDAARM CC[C@@H](Oc1ccccc1C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299743780 529247340 /nfs/dbraw/zinc/24/73/40/529247340.db2.gz MEBTTXPZPUSRHZ-OCCSQVGLSA-N -1 0 307.346 1.464 50 0 DDAARM Cc1nccnc1N1CCC(c2cc(CC(=O)[O-])[nH]n2)CC1 ZINC000067908178 696365291 /nfs/dbraw/zinc/36/52/91/696365291.db2.gz LMDBNEXVJHWGLH-UHFFFAOYSA-N -1 0 301.350 1.519 50 0 DDAARM C[N@@H+]1CCN(Cc2c(Cl)ccc([O-])c2Cl)C[C@H]1C(=O)[O-] ZINC000106693245 696627463 /nfs/dbraw/zinc/62/74/63/696627463.db2.gz DTBWRGLVOAVVKQ-JTQLQIEISA-N -1 0 319.188 1.900 50 0 DDAARM COc1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1F ZINC000388154787 699083955 /nfs/dbraw/zinc/08/39/55/699083955.db2.gz IZIZNIFDHSHCGH-KTLBGCOUSA-N -1 0 309.293 1.160 50 0 DDAARM CC(C)C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)CC(=O)[O-] ZINC000863981906 706049976 /nfs/dbraw/zinc/04/99/76/706049976.db2.gz UCWXAPVIQBEWNT-YNEHKIRRSA-N -1 0 307.394 1.777 50 0 DDAARM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1sc(OC)nc1C ZINC000888099146 709213290 /nfs/dbraw/zinc/21/32/90/709213290.db2.gz AWSJKUFVRYXBCL-SSDOTTSWSA-N -1 0 306.409 1.701 50 0 DDAARM CC(C)n1cc([C@]2(O)CCN(c3ccnc(C(=O)[O-])c3)C2)nn1 ZINC000952876017 775622167 /nfs/dbraw/zinc/62/21/67/775622167.db2.gz CEKPRLLIKRTFRC-HNNXBMFYSA-N -1 0 317.349 1.050 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc2c(c1)OCCO2 ZINC000299752598 529493074 /nfs/dbraw/zinc/49/30/74/529493074.db2.gz UROUQSUIKHYMCK-INIZCTEOSA-N -1 0 307.346 1.760 50 0 DDAARM CC(C)c1ncc(Cl)c(C(=O)N2CCOC[C@H]2C(=O)[O-])n1 ZINC000088374050 185247515 /nfs/dbraw/zinc/24/75/15/185247515.db2.gz QBQGWQNOLVJMCW-VIFPVBQESA-N -1 0 313.741 1.179 50 0 DDAARM O=C([O-])C1(CNC(=O)[C@@H]2COc3ccccc32)CCOCC1 ZINC000278083674 213951056 /nfs/dbraw/zinc/95/10/56/213951056.db2.gz JSAIIOQBEOMTLB-GFCCVEGCSA-N -1 0 305.330 1.160 50 0 DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000226087650 201765618 /nfs/dbraw/zinc/76/56/18/201765618.db2.gz OMRYSQKSYNCGRK-AWEZNQCLSA-N -1 0 311.403 1.746 50 0 DDAARM O=C(NCCn1[n-]c(=O)ccc1=O)c1ccc(-c2ccccc2)[nH]1 ZINC000071765179 191028084 /nfs/dbraw/zinc/02/80/84/191028084.db2.gz SCEXTKUMTNGLIN-UHFFFAOYSA-N -1 0 324.340 1.374 50 0 DDAARM Cc1nn(CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c(C)c1Cl ZINC000237447772 186290536 /nfs/dbraw/zinc/29/05/36/186290536.db2.gz ZXMXMCGDVOLWSK-QMMMGPOBSA-N -1 0 313.785 1.865 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000072431444 191163119 /nfs/dbraw/zinc/16/31/19/191163119.db2.gz CRFASAQTUMISPV-ZDUSSCGKSA-N -1 0 303.362 1.642 50 0 DDAARM O=C([O-])c1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 ZINC000035352908 352293439 /nfs/dbraw/zinc/29/34/39/352293439.db2.gz VYJMCHMHVOQJJV-YBHTYTBLSA-N -1 0 301.298 1.521 50 0 DDAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1CCc1ccccc1 ZINC000061718715 352893358 /nfs/dbraw/zinc/89/33/58/352893358.db2.gz PQPQXSQQZRKPTN-CQSZACIVSA-N -1 0 320.414 1.630 50 0 DDAARM O=C([O-])CC(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000002456539 180924778 /nfs/dbraw/zinc/92/47/78/180924778.db2.gz QMFJROXLBMGMDG-UHFFFAOYSA-N -1 0 310.737 1.099 50 0 DDAARM Cn1ccc2c1cccc2C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000076020504 353391510 /nfs/dbraw/zinc/39/15/10/353391510.db2.gz IBMPOALJFTVSJF-UHFFFAOYSA-N -1 0 315.354 1.692 50 0 DDAARM CC(C)[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)[O-] ZINC000078824828 353534253 /nfs/dbraw/zinc/53/42/53/353534253.db2.gz FSZVRAXHRINVEE-LBPRGKRZSA-N -1 0 323.374 1.956 50 0 DDAARM C[C@@H](CCc1ccccc1F)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268978422 295873089 /nfs/dbraw/zinc/87/30/89/295873089.db2.gz LMUHSCJEIUFNNR-SMDDNHRTSA-N -1 0 309.337 1.706 50 0 DDAARM COc1ccc2c(C)c(CCC(=O)NCC(=O)[O-])c(=O)oc2c1 ZINC000004062163 181067804 /nfs/dbraw/zinc/06/78/04/181067804.db2.gz ATYWXVKQKJYVRY-UHFFFAOYSA-N -1 0 319.313 1.243 50 0 biogenic DDAARM COC(=O)C(O)=CC(=O)c1cc(Br)ccc1[O-] ZINC000585152400 354816971 /nfs/dbraw/zinc/81/69/71/354816971.db2.gz ZQBRRGVZQPMREG-UHFFFAOYSA-N -1 0 301.092 1.470 50 0 DDAARM Cc1n[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cn21 ZINC000075536531 191488079 /nfs/dbraw/zinc/48/80/79/191488079.db2.gz FVVJXDDXOQXMLV-UHFFFAOYSA-N -1 0 322.321 1.271 50 0 DDAARM Cc1noc(C)c1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000005263281 181223439 /nfs/dbraw/zinc/22/34/39/181223439.db2.gz JHENBQDTHHSESO-UHFFFAOYSA-N -1 0 305.315 1.946 50 0 DDAARM CCC[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)[O-] ZINC000236892151 202056370 /nfs/dbraw/zinc/05/63/70/202056370.db2.gz IRTVQKIKRUHPQK-CYBMUJFWSA-N -1 0 322.336 1.936 50 0 DDAARM C[C@@H](CNC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000237320444 202229874 /nfs/dbraw/zinc/22/98/74/202229874.db2.gz IMBRDUAYCMNGAF-NSHDSACASA-N -1 0 304.346 1.260 50 0 DDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F ZINC000038534554 304082189 /nfs/dbraw/zinc/08/21/89/304082189.db2.gz HXZQYLXRUWVESW-NSHDSACASA-N -1 0 316.279 1.481 50 0 DDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC(C)(C)C(=O)[O-] ZINC000089643146 192833859 /nfs/dbraw/zinc/83/38/59/192833859.db2.gz KPHNCPZGFSCAES-UHFFFAOYSA-N -1 0 313.375 1.239 50 0 DDAARM Cc1cc(CCCC(=O)N2CCO[C@H](C(=O)[O-])C2)c(C)s1 ZINC000237604886 202299753 /nfs/dbraw/zinc/29/97/53/202299753.db2.gz SCLBPACRVQKBNC-ZDUSSCGKSA-N -1 0 311.403 2.000 50 0 DDAARM Cc1noc(CCCC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000237685972 202328705 /nfs/dbraw/zinc/32/87/05/202328705.db2.gz NTNKJTCVSDFWHQ-AGIUHOORSA-N -1 0 321.377 1.945 50 0 DDAARM Cc1noc(-c2ccc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc2)n1 ZINC000237700511 202331374 /nfs/dbraw/zinc/33/13/74/202331374.db2.gz PXTCWXNSQVOKTG-CYBMUJFWSA-N -1 0 315.329 1.982 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCN(c3cccnn3)CC2)c1 ZINC000238205794 202449911 /nfs/dbraw/zinc/44/99/11/202449911.db2.gz IRSFOGZLPDQIHF-UHFFFAOYSA-N -1 0 312.329 1.137 50 0 DDAARM COc1ccc(Cl)cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091293021 193032836 /nfs/dbraw/zinc/03/28/36/193032836.db2.gz LENSESUOCZCBCK-JTQLQIEISA-N -1 0 313.737 1.664 50 0 DDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000091619936 193079209 /nfs/dbraw/zinc/07/92/09/193079209.db2.gz KEVBAVNSBWQLNT-MRXNPFEDSA-N -1 0 321.377 1.397 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(Cn3ccnc3)CC2)C[C@H]1C1CC1 ZINC000091974165 304129589 /nfs/dbraw/zinc/12/95/89/304129589.db2.gz LHDXSFVHSLGZHZ-QWHCGFSZSA-N -1 0 303.362 1.233 50 0 DDAARM CC[C@H](OC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262203427 203228199 /nfs/dbraw/zinc/22/81/99/203228199.db2.gz SLGYWOWOHODXNH-KBPBESRZSA-N -1 0 304.346 1.705 50 0 DDAARM COCCOc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000262430651 203292798 /nfs/dbraw/zinc/29/27/98/203292798.db2.gz JIUFNBCTQHVVFE-CQSZACIVSA-N -1 0 323.345 1.028 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(OCc2ccccc2)CC1 ZINC000262587588 203340697 /nfs/dbraw/zinc/34/06/97/203340697.db2.gz HBJXGAORNGSRLY-GJZGRUSLSA-N -1 0 303.358 1.915 50 0 DDAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000017053264 182071770 /nfs/dbraw/zinc/07/17/70/182071770.db2.gz SLRXLQTUKZJCFI-UHFFFAOYSA-N -1 0 315.376 1.377 50 0 DDAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1CCO ZINC000018029772 182089837 /nfs/dbraw/zinc/08/98/37/182089837.db2.gz RHTABUBEVIVBAF-UHFFFAOYSA-N -1 0 316.386 1.965 50 0 DDAARM COc1ccc(NC(=O)c2nccnc2C(=O)[O-])c(OC)c1 ZINC000032093973 182634202 /nfs/dbraw/zinc/63/42/02/182634202.db2.gz LKPXYSQIOVHRFG-UHFFFAOYSA-N -1 0 303.274 1.444 50 0 DDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2n[nH]nc2c1 ZINC000192838748 304207112 /nfs/dbraw/zinc/20/71/12/304207112.db2.gz FEGCQQLMDCEROI-OAHLLOKOSA-N -1 0 322.324 1.610 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043509804 183368864 /nfs/dbraw/zinc/36/88/64/183368864.db2.gz UAJLGABUNUSRKU-CQSZACIVSA-N -1 0 311.407 1.046 50 0 DDAARM COC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)CC1 ZINC000273726110 211009507 /nfs/dbraw/zinc/00/95/07/211009507.db2.gz JHBCRPRBUOHDRI-UHFFFAOYSA-N -1 0 317.338 1.323 50 0 DDAARM CCO[C@@H]1C[C@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000269036998 207184944 /nfs/dbraw/zinc/18/49/44/207184944.db2.gz OVDCUBBTHHISCX-ZIAGYGMSSA-N -1 0 307.346 1.234 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3ccccc3)nn2)C1 ZINC000269039172 207188056 /nfs/dbraw/zinc/18/80/56/207188056.db2.gz PRPWYXGDHIEILG-HNNXBMFYSA-N -1 0 300.318 1.204 50 0 DDAARM O=C([O-])c1ccc(-n2c(=O)[nH]nc2Cc2ccc(O)cc2)cc1 ZINC000065493444 184353987 /nfs/dbraw/zinc/35/39/87/184353987.db2.gz LOQINAGBSZTUBI-UHFFFAOYSA-N -1 0 311.297 1.555 50 0 DDAARM C[C@H]1CC(S(=O)(=O)N2CCC(C(=O)[O-])CC2)C[C@H](C)C1 ZINC000004670190 299729164 /nfs/dbraw/zinc/72/91/64/299729164.db2.gz HEBMTWRHIVRPRG-GHMZBOCLSA-N -1 0 303.424 1.938 50 0 DDAARM O=C([O-])Cc1csc(NC(=O)CSc2ccccn2)n1 ZINC000000040612 406615590 /nfs/dbraw/zinc/61/55/90/406615590.db2.gz ZHIRQSBWQRKLGU-UHFFFAOYSA-N -1 0 309.372 1.896 50 0 DDAARM COc1cccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000000612838 406656342 /nfs/dbraw/zinc/65/63/42/406656342.db2.gz JYRASMNKLRBLFE-UHFFFAOYSA-N -1 0 313.375 1.761 50 0 DDAARM Cc1c(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000002571135 406690716 /nfs/dbraw/zinc/69/07/16/406690716.db2.gz MSUJKBMHPCMFRK-RYUDHWBXSA-N -1 0 315.329 1.144 50 0 DDAARM COc1cc(C[C@H](NC(=O)c2ccccc2)C(=O)[O-])ccc1O ZINC000000391668 406645667 /nfs/dbraw/zinc/64/56/67/406645667.db2.gz ODTCNJWUFHCFJB-ZDUSSCGKSA-N -1 0 315.325 1.827 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)CCO2 ZINC000069571105 406737703 /nfs/dbraw/zinc/73/77/03/406737703.db2.gz YYLWRGGDXVZUIC-BBRMVZONSA-N -1 0 319.357 1.632 50 0 DDAARM CCOc1ccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)cc1 ZINC000008732780 406795560 /nfs/dbraw/zinc/79/55/60/406795560.db2.gz TUMWHSYFNOPQHU-UHFFFAOYSA-N -1 0 321.358 1.605 50 0 DDAARM CCOC(=O)N=c1[n-]nc(S[C@@H]2CCCCNC2=O)s1 ZINC000069972034 406799204 /nfs/dbraw/zinc/79/92/04/406799204.db2.gz ZYTYBJLGRJJCQE-SSDOTTSWSA-N -1 0 316.408 1.867 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)c(OC)c1 ZINC000011615563 406828694 /nfs/dbraw/zinc/82/86/94/406828694.db2.gz ROQOHBDQNIKLAO-UHFFFAOYSA-N -1 0 315.376 1.665 50 0 DDAARM CSc1ccc(Cl)c(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000014138980 406870938 /nfs/dbraw/zinc/87/09/38/406870938.db2.gz KAKTWTNMANCKIB-LDWIPMOCSA-N -1 0 303.767 1.626 50 0 DDAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1ccccc1F)C2=O ZINC000014201135 406873203 /nfs/dbraw/zinc/87/32/03/406873203.db2.gz XYDCJTQCMKXSCP-UHFFFAOYSA-N -1 0 319.336 1.971 50 0 DDAARM Cc1[nH]nc2c1[C@H](c1ccc(C(=O)[O-])cc1)C1C(=O)OCC1=N2 ZINC000020086350 406886814 /nfs/dbraw/zinc/88/68/14/406886814.db2.gz YIPNHGQQIFEKJP-LBPRGKRZSA-N -1 0 311.297 1.785 50 0 DDAARM O=C([O-])CCSCc1noc(C(=O)N2CCCCCC2)n1 ZINC000034924986 406965008 /nfs/dbraw/zinc/96/50/08/406965008.db2.gz ZVENYAWZTQDURZ-UHFFFAOYSA-N -1 0 313.379 1.794 50 0 DDAARM CCn1cc(S(=O)(=O)N(C)[C@H](C)C2CC2)cc1C(=O)[O-] ZINC000036864400 406984439 /nfs/dbraw/zinc/98/44/39/406984439.db2.gz OIGNBCKDMIHXOL-SECBINFHSA-N -1 0 300.380 1.625 50 0 DDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@@H]1CC(C(C)C)=NO1 ZINC000055183424 407196651 /nfs/dbraw/zinc/19/66/51/407196651.db2.gz AXRHMPKPWCBTDF-NSHDSACASA-N -1 0 308.338 1.324 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)c1sc(C(C)C)nc1C ZINC000095969826 407218485 /nfs/dbraw/zinc/21/84/85/407218485.db2.gz AUPXSFLCEAIGBL-UHFFFAOYSA-N -1 0 300.380 1.748 50 0 DDAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCc1cccnc1 ZINC000064980665 407239820 /nfs/dbraw/zinc/23/98/20/407239820.db2.gz AJJUMLQYUOBRNQ-UHFFFAOYSA-N -1 0 301.346 1.769 50 0 DDAARM Cn1cc(CCC(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cn1 ZINC000096480139 407271095 /nfs/dbraw/zinc/27/10/95/407271095.db2.gz PPLGKXMKWNPEFF-MRXNPFEDSA-N -1 0 313.357 1.563 50 0 DDAARM Cc1ccc(S(=O)(=O)N2CC[C@@H]3C(C(=O)[O-])[C@H]3CC2)cc1 ZINC000097437116 407293657 /nfs/dbraw/zinc/29/36/57/407293657.db2.gz VSEWERIUTZRMAU-STQMWFEESA-N -1 0 309.387 1.726 50 0 DDAARM CN(Cc1cnn(CCC(=O)[O-])c1)Cc1nc2ccccc2[nH]1 ZINC000097604283 407300477 /nfs/dbraw/zinc/30/04/77/407300477.db2.gz WNDVSNIFQACYDZ-UHFFFAOYSA-N -1 0 313.361 1.866 50 0 DDAARM CCC[C@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1nnn[n-]1 ZINC000170656061 407465835 /nfs/dbraw/zinc/46/58/35/407465835.db2.gz RGPPKROOYARCPC-KBPBESRZSA-N -1 0 315.377 1.861 50 0 DDAARM CN(Cc1ccccn1)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000170647480 407463095 /nfs/dbraw/zinc/46/30/95/407463095.db2.gz LXALHXKEOWVPSF-UHFFFAOYSA-N -1 0 324.333 1.740 50 0 DDAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000225550143 407596590 /nfs/dbraw/zinc/59/65/90/407596590.db2.gz PQTRZINOKKZSKD-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1csc2ccccc12 ZINC000262093009 407736851 /nfs/dbraw/zinc/73/68/51/407736851.db2.gz GQMPFZWQMYLNNE-GFCCVEGCSA-N -1 0 305.355 1.756 50 0 DDAARM CN(CC(=O)[O-])C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000153083328 407749969 /nfs/dbraw/zinc/74/99/69/407749969.db2.gz TVCGRIGYCGASAM-ZDUSSCGKSA-N -1 0 308.353 1.581 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCN(c3cnccn3)CC2)s1 ZINC000237995734 407866145 /nfs/dbraw/zinc/86/61/45/407866145.db2.gz KGJGPVLJLFLLGX-UHFFFAOYSA-N -1 0 318.358 1.199 50 0 DDAARM Cc1c(C(=O)NCCc2nc(C(=O)[O-])cs2)cnn1C(C)C ZINC000262872710 407958708 /nfs/dbraw/zinc/95/87/08/407958708.db2.gz BCDCLNXVGJVXKA-UHFFFAOYSA-N -1 0 322.390 1.900 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1csc([C@H]2CCCO2)n1 ZINC000262901321 407963455 /nfs/dbraw/zinc/96/34/55/407963455.db2.gz MGRHLLUJHQXCKC-WCABBAIRSA-N -1 0 310.375 1.978 50 0 DDAARM Cc1nc(NC(=O)CN(C)Cc2cnccn2)sc1C(=O)[O-] ZINC000244795985 407937358 /nfs/dbraw/zinc/93/73/58/407937358.db2.gz RQTUJTGJNBIYLP-UHFFFAOYSA-N -1 0 321.362 1.010 50 0 DDAARM O=C([O-])[C@@H](NC(=O)c1cccc2c1CCC2)[C@@H]1CCCOC1 ZINC000263252979 408074993 /nfs/dbraw/zinc/07/49/93/408074993.db2.gz HTIIWAUQQPYOMQ-DOMZBBRYSA-N -1 0 303.358 1.785 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc2c(c1)N=S=N2 ZINC000263297629 408096067 /nfs/dbraw/zinc/09/60/67/408096067.db2.gz MRTYAVWBVIVUJW-VIFPVBQESA-N -1 0 307.331 1.729 50 0 DDAARM C[C@@H]1C[C@@H](NC(=O)C2(C(=O)[O-])CC2)C(=O)N1c1ccccc1 ZINC000154935916 408105422 /nfs/dbraw/zinc/10/54/22/408105422.db2.gz PAEQGWYVRVTOLK-ZYHUDNBSSA-N -1 0 302.330 1.161 50 0 DDAARM CC(=O)N1CCC[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000192839075 408658453 /nfs/dbraw/zinc/65/84/53/408658453.db2.gz JYZYWUDCEHACAF-CQSZACIVSA-N -1 0 304.346 1.260 50 0 DDAARM CCC(CC)[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC000178270767 408797843 /nfs/dbraw/zinc/79/78/43/408797843.db2.gz ZHCIGYBAFRMCCU-KGLIPLIRSA-N -1 0 312.410 1.057 50 0 DDAARM CCc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000276105752 408821179 /nfs/dbraw/zinc/82/11/79/408821179.db2.gz JQBKIKOCNDEFAE-SMDDNHRTSA-N -1 0 311.403 1.980 50 0 DDAARM COc1ccc(C(=O)[O-])c(NS(=O)(=O)C[C@@H](C)OC)c1 ZINC000282165191 409003027 /nfs/dbraw/zinc/00/30/27/409003027.db2.gz HFJXDPZAIIJNGU-MRVPVSSYSA-N -1 0 303.336 1.170 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2N2CCOCC2)C1 ZINC000299743879 410605911 /nfs/dbraw/zinc/60/59/11/410605911.db2.gz PUCJBWNFZSFSBB-GFCCVEGCSA-N -1 0 304.346 1.070 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000647780916 423044659 /nfs/dbraw/zinc/04/46/59/423044659.db2.gz SXUVBWNGDULMRT-DTWKUNHWSA-N -1 0 322.271 1.383 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)C[C@H]2CCc3ccccc32)n1 ZINC000647780499 423044700 /nfs/dbraw/zinc/04/47/00/423044700.db2.gz AAPNYHSCNBQECU-LLVKDONJSA-N -1 0 300.318 1.421 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000237018204 287384687 /nfs/dbraw/zinc/38/46/87/287384687.db2.gz BHPQCURQDAASIP-UFBFGSQYSA-N -1 0 324.299 1.157 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2csc(-c3ccccn3)n2)C1 ZINC000178273810 221861056 /nfs/dbraw/zinc/86/10/56/221861056.db2.gz ZNMCPBAWHZNDES-SECBINFHSA-N -1 0 303.343 1.752 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(c2ccccc2)=NO1 ZINC000119571730 418502908 /nfs/dbraw/zinc/50/29/08/418502908.db2.gz LHUJEUCEQLUDKK-CJNGLKHVSA-N -1 0 304.346 1.939 50 0 DDAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000213915133 418559197 /nfs/dbraw/zinc/55/91/97/418559197.db2.gz ZQSXVAQOMJBAKD-ZRUQZJFASA-N -1 0 311.769 1.718 50 0 DDAARM C[C@@H](Cc1ccc(NC(=O)CN2CCCCC2=O)cc1)C(=O)[O-] ZINC000630162519 421930492 /nfs/dbraw/zinc/93/04/92/421930492.db2.gz MUPQSWMBCNSDBH-LBPRGKRZSA-N -1 0 318.373 1.901 50 0 DDAARM CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2conc2C)o1 ZINC000583651886 422210423 /nfs/dbraw/zinc/21/04/23/422210423.db2.gz UUSRJBOSFGDPKO-LLVKDONJSA-N -1 0 314.363 1.804 50 0 DDAARM Cc1nc(S(=O)(=O)[N-]c2cccc(CO)c2Cl)cn1C ZINC000585119089 422308282 /nfs/dbraw/zinc/30/82/82/422308282.db2.gz QCLOUBPXYMIBAW-UHFFFAOYSA-N -1 0 315.782 1.675 50 0 DDAARM C[C@@H]1C[C@H](C)[C@H](C(=O)NCCOc2ccc(C(=O)[O-])cc2)O1 ZINC000579127801 422713288 /nfs/dbraw/zinc/71/32/88/422713288.db2.gz BEDUWSRKBHBPOB-MISXGVKJSA-N -1 0 307.346 1.693 50 0 DDAARM Cn1c([O-])c(C2=NN[C@H](c3ccccc3)C2)c(=O)n(C)c1=S ZINC000015670673 294165881 /nfs/dbraw/zinc/16/58/81/294165881.db2.gz LNIWOTXOHGLPDR-JTQLQIEISA-N -1 0 316.386 1.598 50 0 DDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000003349529 295099144 /nfs/dbraw/zinc/09/91/44/295099144.db2.gz ZFKAVMZVNPQZBV-JTQLQIEISA-N -1 0 313.375 1.957 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000299747583 295318192 /nfs/dbraw/zinc/31/81/92/295318192.db2.gz DGSYVWGPDPCRMH-IHRRRGAJSA-N -1 0 305.330 1.111 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000263541219 298199259 /nfs/dbraw/zinc/19/92/59/298199259.db2.gz CWMLIAKWGZIBLB-GZMMTYOYSA-N -1 0 310.737 1.060 50 0 DDAARM Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)oc2c1C(=O)CCC2 ZINC000095425494 300926311 /nfs/dbraw/zinc/92/63/11/300926311.db2.gz PXBWRJVHUTXOSN-JTQLQIEISA-N -1 0 321.329 1.423 50 0 DDAARM Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000020607266 301146484 /nfs/dbraw/zinc/14/64/84/301146484.db2.gz HBCBDBLSKJQBLL-KCJUWKMLSA-N -1 0 316.361 1.228 50 0 DDAARM Cc1cccc2[nH]cc(CC(=O)N3CCOC[C@H]3C(=O)[O-])c21 ZINC000299752964 302051251 /nfs/dbraw/zinc/05/12/51/302051251.db2.gz WFGMZSITUCGFGD-ZDUSSCGKSA-N -1 0 302.330 1.331 50 0 DDAARM Cc1ccn2cc(CN3CCc4nc[nH]c4[C@@H]3C(=O)[O-])nc2c1 ZINC000095366914 302262937 /nfs/dbraw/zinc/26/29/37/302262937.db2.gz AXMSBVPTCREUEY-OAHLLOKOSA-N -1 0 311.345 1.550 50 0 DDAARM O=C([O-])C1(CNC(=O)C2CCN(c3cnccn3)CC2)CCC1 ZINC000538469774 307675347 /nfs/dbraw/zinc/67/53/47/307675347.db2.gz DDYJSHQJYYQWPH-UHFFFAOYSA-N -1 0 318.377 1.064 50 0 DDAARM CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000534639423 334310506 /nfs/dbraw/zinc/31/05/06/334310506.db2.gz IQYCDCIZNWKMGM-KGLIPLIRSA-N -1 0 306.362 1.479 50 0 DDAARM COc1c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)nn1C ZINC000096407108 337381886 /nfs/dbraw/zinc/38/18/86/337381886.db2.gz HDXBQVALBCWTDI-UHFFFAOYSA-N -1 0 313.354 1.985 50 0 DDAARM CCCC[C@@H]1C(=O)N(C)CCN1Cc1ccc(O)c(C(=O)[O-])c1 ZINC000077340919 483961489 /nfs/dbraw/zinc/96/14/89/483961489.db2.gz DAQDRJKIEZGAKQ-CQSZACIVSA-N -1 0 320.389 1.923 50 0 DDAARM C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000083888599 483987461 /nfs/dbraw/zinc/98/74/61/483987461.db2.gz IACZAPQHUMCRKB-DGCLKSJQSA-N -1 0 302.330 1.649 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1coc(-c2ccccc2)n1 ZINC000299741647 534526559 /nfs/dbraw/zinc/52/65/59/534526559.db2.gz AARFMWQPYZEJBF-ZDUSSCGKSA-N -1 0 316.313 1.196 50 0 DDAARM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299745959 529157191 /nfs/dbraw/zinc/15/71/91/529157191.db2.gz UHRUNYVQOILMFH-RFQIPJPRSA-N -1 0 313.394 1.672 50 0 DDAARM C[C@H](Oc1cccc(C(=O)/C=C/c2cnnn2C)c1)C(=O)[O-] ZINC000170655131 697348408 /nfs/dbraw/zinc/34/84/08/697348408.db2.gz SSPWHFWRNJPRAR-FGEFZZPRSA-N -1 0 301.302 1.563 50 0 DDAARM CC(=NNc1nnc(C)c(=O)[n-]1)c1ccc(-n2ccnc2)cc1 ZINC000254478306 698407401 /nfs/dbraw/zinc/40/74/01/698407401.db2.gz DIXBRZYCQSPCBA-UHFFFAOYSA-N -1 0 309.333 1.907 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1c(F)cccc1Cl ZINC000088375046 185247572 /nfs/dbraw/zinc/24/75/72/185247572.db2.gz KJRMNZHHCYQOBM-NSHDSACASA-N -1 0 301.701 1.334 50 0 DDAARM CCN(CC)S(=O)(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000221035856 539264886 /nfs/dbraw/zinc/26/48/86/539264886.db2.gz PUUFPZINZBTQIE-SRVKXCTJSA-N -1 0 304.412 1.291 50 0 DDAARM Cc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1-n1cccn1 ZINC000263260961 539276061 /nfs/dbraw/zinc/27/60/61/539276061.db2.gz UTZRKEVKLRZYFF-MRXNPFEDSA-N -1 0 317.320 1.820 50 0 DDAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000263368091 539276092 /nfs/dbraw/zinc/27/60/92/539276092.db2.gz UKRIACPVTLBRGY-LERXQTSPSA-N -1 0 309.337 1.961 50 0 DDAARM C[C@H](C(=O)[O-])N(C(=O)c1cccc(NC(=O)N(C)C)c1)C1CC1 ZINC000263544671 539276219 /nfs/dbraw/zinc/27/62/19/539276219.db2.gz GDVRBVZGQMZTDV-SNVBAGLBSA-N -1 0 319.361 1.858 50 0 DDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)CC2=CCCCC2)C1 ZINC000685940812 539564942 /nfs/dbraw/zinc/56/49/42/539564942.db2.gz IYPPPWZYXQADPT-STQMWFEESA-N -1 0 308.378 1.315 50 0 DDAARM CN(Cc1c[nH]nc1C(=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000071755434 191025266 /nfs/dbraw/zinc/02/52/66/191025266.db2.gz NYSAJSZSASDUNS-LLVKDONJSA-N -1 0 303.318 1.380 50 0 DDAARM CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cn1 ZINC000072242949 191085825 /nfs/dbraw/zinc/08/58/25/191085825.db2.gz MBAOZJFTLJSJRS-UHFFFAOYSA-N -1 0 320.374 1.589 50 0 DDAARM COc1ccc(-c2nc(CN3CCC[C@H]3C(=O)[O-])no2)cc1 ZINC000237480253 186295472 /nfs/dbraw/zinc/29/54/72/186295472.db2.gz OKRSILNUZMOCTJ-LBPRGKRZSA-N -1 0 303.318 1.794 50 0 DDAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)onc2N)c1 ZINC000072403662 191152210 /nfs/dbraw/zinc/15/22/10/191152210.db2.gz FYXVGXKJMGAQCD-UHFFFAOYSA-N -1 0 311.319 1.153 50 0 DDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000072431445 191162564 /nfs/dbraw/zinc/16/25/64/191162564.db2.gz CRFASAQTUMISPV-CYBMUJFWSA-N -1 0 303.362 1.642 50 0 DDAARM CCn1cc(C(=O)NC[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cn1 ZINC000097228537 353917811 /nfs/dbraw/zinc/91/78/11/353917811.db2.gz XINZUUFKVJLZEZ-CQSZACIVSA-N -1 0 315.373 1.885 50 0 DDAARM Cc1cc(F)ccc1S(=O)(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000097377614 353919733 /nfs/dbraw/zinc/91/97/33/353919733.db2.gz YEUMEKMIQIJRCC-SECBINFHSA-N -1 0 313.358 1.071 50 0 DDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000004206811 181085519 /nfs/dbraw/zinc/08/55/19/181085519.db2.gz GZGFUBWRPYJATA-UHFFFAOYSA-N -1 0 305.302 1.450 50 0 DDAARM COc1ccccc1NC(=O)[C@H](C)Sc1nc(=O)c(C)n[n-]1 ZINC000004386124 181106212 /nfs/dbraw/zinc/10/62/12/181106212.db2.gz ROYYHYGMDREURN-VIFPVBQESA-N -1 0 320.374 1.601 50 0 DDAARM O=C([O-])c1ccccc1S(=O)(=O)CC(=O)N1CCCCC1 ZINC000004520630 181119512 /nfs/dbraw/zinc/11/95/12/181119512.db2.gz NTLXIUPEALXCSH-UHFFFAOYSA-N -1 0 311.359 1.171 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000585134154 354811141 /nfs/dbraw/zinc/81/11/41/354811141.db2.gz GAUQNEFUOUZDKY-OUAUKWLOSA-N -1 0 305.334 1.374 50 0 DDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCOc3cc(O)ccc3C2)C1 ZINC000585134514 354811374 /nfs/dbraw/zinc/81/13/74/354811374.db2.gz XKEIWZSNLIKABU-WDEREUQCSA-N -1 0 305.330 1.614 50 0 DDAARM O=C([O-])[C@@H](Cc1ccco1)[P@](=O)([O-])C[NH+]1CCCCC1 ZINC000004858049 181164494 /nfs/dbraw/zinc/16/44/94/181164494.db2.gz JSZZIJUIFCDBLV-GFCCVEGCSA-N -1 0 301.279 1.989 50 0 DDAARM CC[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)C(=O)[O-] ZINC000236982277 202107237 /nfs/dbraw/zinc/10/72/37/202107237.db2.gz PEWOBIZQXQARJY-CYBMUJFWSA-N -1 0 304.346 1.402 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000237173798 202175342 /nfs/dbraw/zinc/17/53/42/202175342.db2.gz WAWDAZSBAKAKDZ-YSKGHYERSA-N -1 0 302.330 1.135 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2SCCc3ccccc32)CCO1 ZINC000299751775 304084424 /nfs/dbraw/zinc/08/44/24/304084424.db2.gz RRBVANZKWJLELL-WFASDCNBSA-N -1 0 321.398 1.719 50 0 DDAARM C[C@@H](CNC(=O)Cc1ccc(N2CCCC2=O)cc1)C(=O)[O-] ZINC000237558741 202283021 /nfs/dbraw/zinc/28/30/21/202283021.db2.gz ZKGMJCMGPIKWSZ-NSHDSACASA-N -1 0 304.346 1.193 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCCc2nc(C3CC3)no2)C1 ZINC000237640667 202314432 /nfs/dbraw/zinc/31/44/32/202314432.db2.gz UINNOTMEYFRUBK-HNNXBMFYSA-N -1 0 307.350 1.593 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCCc2ccc(F)c(F)c2)CCO1 ZINC000237965345 202406493 /nfs/dbraw/zinc/40/64/93/202406493.db2.gz YFCLJBGCQHICEA-CYBMUJFWSA-N -1 0 313.300 1.600 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1 ZINC000238195513 202450635 /nfs/dbraw/zinc/45/06/35/202450635.db2.gz ABFMGKMPTQSCEJ-CYBMUJFWSA-N -1 0 316.357 1.803 50 0 DDAARM CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006015915 181306240 /nfs/dbraw/zinc/30/62/40/181306240.db2.gz VTPLNQKRFASMKX-UHFFFAOYSA-N -1 0 308.334 1.986 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000141383777 304118450 /nfs/dbraw/zinc/11/84/50/304118450.db2.gz LGWATGAYJMRILR-YPMHNXCESA-N -1 0 302.330 1.554 50 0 DDAARM Cc1nn(CCCC(=O)[O-])c(C)c1I ZINC000006701707 181373470 /nfs/dbraw/zinc/37/34/70/181373470.db2.gz RFTNCLLMSSGBOO-UHFFFAOYSA-N -1 0 308.119 1.969 50 0 DDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2ccccc2=O)C1 ZINC000091536342 193070906 /nfs/dbraw/zinc/07/09/06/193070906.db2.gz CETJFLBUMFZIQI-QGZVFWFLSA-N -1 0 320.389 1.732 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1SCCc2sccc21 ZINC000269001388 304135121 /nfs/dbraw/zinc/13/51/21/304135121.db2.gz YQUDPKBKYGQGAV-GXSJLCMTSA-N -1 0 313.400 1.391 50 0 DDAARM O=C([O-])C1CCC(NC(=O)c2ccc(-n3ccnn3)cc2)CC1 ZINC000261972377 203164046 /nfs/dbraw/zinc/16/40/46/203164046.db2.gz BMULZTMMXJRZTJ-UHFFFAOYSA-N -1 0 314.345 1.641 50 0 DDAARM Cc1ccc(C)c(OCCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000262143659 203209962 /nfs/dbraw/zinc/20/99/62/203209962.db2.gz MPOQDPSZGMJGQH-ZDUSSCGKSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000262081744 203193841 /nfs/dbraw/zinc/19/38/41/203193841.db2.gz KFMOHBDYFGDLEN-UHFFFAOYSA-N -1 0 305.355 1.953 50 0 DDAARM CN(Cc1ccoc1)[C@@H](C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000095370066 193434818 /nfs/dbraw/zinc/43/48/18/193434818.db2.gz NTHIGUHNCQLNQF-CQSZACIVSA-N -1 0 323.370 1.941 50 0 DDAARM O=C(c1c([O-])cccc1F)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 ZINC000299776469 296163515 /nfs/dbraw/zinc/16/35/15/296163515.db2.gz BWMZOMPHCZQMAJ-AAEUAGOBSA-N -1 0 318.308 1.109 50 0 DDAARM Cn1c(=O)oc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000009526616 181627269 /nfs/dbraw/zinc/62/72/69/181627269.db2.gz MAMZVSWIJGGSTH-UHFFFAOYSA-N -1 0 310.356 1.994 50 0 DDAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc3c([nH]c2=O)CCCCC3)C1 ZINC000262864850 304164076 /nfs/dbraw/zinc/16/40/76/304164076.db2.gz WZPSHUMJMPSHOA-MRXNPFEDSA-N -1 0 322.336 1.695 50 0 DDAARM Cc1cc(C)n(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000265569968 204705039 /nfs/dbraw/zinc/70/50/39/204705039.db2.gz LGAVBQFPKWPNIG-MJBXVCDLSA-N -1 0 305.378 1.744 50 0 DDAARM COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)[O-] ZINC000016623859 182054120 /nfs/dbraw/zinc/05/41/20/182054120.db2.gz KSXXDHIXBAHIAI-UHFFFAOYSA-N -1 0 321.354 1.872 50 0 DDAARM COc1cccc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c1OC ZINC000020738622 182245228 /nfs/dbraw/zinc/24/52/28/182245228.db2.gz LUPUWXLXCBAOOG-LLVKDONJSA-N -1 0 316.317 1.587 50 0 DDAARM CN(C)C(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000159887728 197370879 /nfs/dbraw/zinc/37/08/79/197370879.db2.gz QFCWSXFQIMCCRM-CYBMUJFWSA-N -1 0 304.346 1.468 50 0 DDAARM COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1OC ZINC000043503519 183367406 /nfs/dbraw/zinc/36/74/06/183367406.db2.gz NZJCAWHFZUXLTM-AWEZNQCLSA-N -1 0 311.359 1.394 50 0 DDAARM O=C([O-])[C@]1(NC(=O)c2cc(Br)c[nH]2)CCSC1 ZINC000043508522 183367974 /nfs/dbraw/zinc/36/79/74/183367974.db2.gz GMLNXZFDHIHULJ-JTQLQIEISA-N -1 0 319.180 1.467 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000268951276 207114225 /nfs/dbraw/zinc/11/42/25/207114225.db2.gz QNJDTLPQIDADOR-ZIAGYGMSSA-N -1 0 317.320 1.391 50 0 DDAARM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268950080 207114263 /nfs/dbraw/zinc/11/42/63/207114263.db2.gz PMAANSBIRHCEBV-GKWCTESPSA-N -1 0 309.387 1.664 50 0 DDAARM Cc1cccc(OCCCCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268997478 207154030 /nfs/dbraw/zinc/15/40/30/207154030.db2.gz XEELMPKLPNOAEY-HNNXBMFYSA-N -1 0 321.373 1.856 50 0 DDAARM CCO[C@H]1C[C@@H]1C(=O)NCCc1ccc(OCC(=O)[O-])cc1 ZINC000269036995 207184826 /nfs/dbraw/zinc/18/48/26/207184826.db2.gz OVDCUBBTHHISCX-KBPBESRZSA-N -1 0 307.346 1.234 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2csc(-c3cnccn3)n2)C1 ZINC000065386153 184333071 /nfs/dbraw/zinc/33/30/71/184333071.db2.gz SRXXPWNVPXMRPM-MRVPVSSYSA-N -1 0 304.331 1.033 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(Oc3cnccn3)c2)C1 ZINC000269182998 207303137 /nfs/dbraw/zinc/30/31/37/207303137.db2.gz LRQUNGBKQKEFBZ-LBPRGKRZSA-N -1 0 313.313 1.816 50 0 DDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(CCC(=O)NC3CC3)cc2)C1 ZINC000065508272 184356431 /nfs/dbraw/zinc/35/64/31/184356431.db2.gz HACUBXQNEHRWKQ-GFCCVEGCSA-N -1 0 316.357 1.335 50 0 DDAARM Cc1cnc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000066247473 184398438 /nfs/dbraw/zinc/39/84/38/184398438.db2.gz PSPKLVFDNHAGCR-UHFFFAOYSA-N -1 0 320.399 1.860 50 0 DDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1nccc2ccccc21 ZINC000157854384 197220575 /nfs/dbraw/zinc/22/05/75/197220575.db2.gz UKRLEQMGORREFJ-LLVKDONJSA-N -1 0 320.370 1.331 50 0 DDAARM CN(C(=O)C1(C(=O)[O-])CC1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000154887909 197002434 /nfs/dbraw/zinc/00/24/34/197002434.db2.gz PDILNJIDOZGONS-GFCCVEGCSA-N -1 0 320.320 1.254 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1F ZINC000321410453 533230652 /nfs/dbraw/zinc/23/06/52/533230652.db2.gz MMUNBQMTMACKSY-OGOUPESXSA-N -1 0 323.320 1.550 50 0 DDAARM COc1ccc2cc(C(=O)N3CC=C[C@H]3C(=O)[O-])n(C)c2c1 ZINC000426383195 533323487 /nfs/dbraw/zinc/32/34/87/533323487.db2.gz YZCUUZATNUKZCT-LBPRGKRZSA-N -1 0 300.314 1.652 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2oc(C)nc2C)(C(=O)[O-])C1(C)C ZINC000193050143 286309928 /nfs/dbraw/zinc/30/99/28/286309928.db2.gz LGZZHPLIUBPJNQ-MEBBXXQBSA-N -1 0 310.350 1.680 50 0 DDAARM O=C([O-])Cn1cc(C(=S)N2CCOCC2)c2ccccc21 ZINC000000107428 406621329 /nfs/dbraw/zinc/62/13/29/406621329.db2.gz VXSMLGJAPNKOTK-UHFFFAOYSA-N -1 0 304.371 1.734 50 0 DDAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002464708 406687269 /nfs/dbraw/zinc/68/72/69/406687269.db2.gz XOJZHWXWJNOPEN-UHFFFAOYSA-N -1 0 318.401 1.196 50 0 DDAARM O=C([O-])CN1C(=O)S[C@@H](Nc2ccc(Cl)cc2)C1=O ZINC000002325741 406687325 /nfs/dbraw/zinc/68/73/25/406687325.db2.gz UBFLNEIKRUVVTP-SECBINFHSA-N -1 0 300.723 1.858 50 0 DDAARM COC(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nc1C ZINC000006921836 406744993 /nfs/dbraw/zinc/74/49/93/406744993.db2.gz IPDBDJNTIAJKRW-BDAKNGLRSA-N -1 0 324.358 1.844 50 0 DDAARM O=C([O-])CCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccco1 ZINC000002948995 406707640 /nfs/dbraw/zinc/70/76/40/406707640.db2.gz LQYBBCQUTUGQDR-LUAWRHEFSA-N -1 0 318.285 1.234 50 0 DDAARM CCCn1nc(C(=O)NC2(C(=O)[O-])CCCCC2)ccc1=O ZINC000069926158 406791423 /nfs/dbraw/zinc/79/14/23/406791423.db2.gz FNIANWKOWCYCRW-UHFFFAOYSA-N -1 0 307.350 1.171 50 0 DDAARM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)n1 ZINC000069925436 406791822 /nfs/dbraw/zinc/79/18/22/406791822.db2.gz XSIITVBCUABDPL-RXMQYKEDSA-N -1 0 321.280 1.835 50 0 DDAARM Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000011615538 406828397 /nfs/dbraw/zinc/82/83/97/406828397.db2.gz VGGXWCCYRPQPOT-UHFFFAOYSA-N -1 0 313.360 1.419 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000071285058 406836538 /nfs/dbraw/zinc/83/65/38/406836538.db2.gz UZYSTBBBALVSII-NEPJUHHUSA-N -1 0 300.318 1.563 50 0 DDAARM CN(C)C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000013253521 406859808 /nfs/dbraw/zinc/85/98/08/406859808.db2.gz SKESNPVHHXTKDA-ZIAGYGMSSA-N -1 0 316.357 1.994 50 0 DDAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000013144065 406860100 /nfs/dbraw/zinc/86/01/00/406860100.db2.gz KKOVEKOYDFHKKJ-HZSPNIEDSA-N -1 0 317.341 1.563 50 0 DDAARM Cc1ccc(-c2ccnc(N[C@@H](C)c3n[nH]c(=O)[n-]3)n2)c(C)n1 ZINC000071552109 406841116 /nfs/dbraw/zinc/84/11/16/406841116.db2.gz ZUZPDYWLAYRMRU-JTQLQIEISA-N -1 0 311.349 1.740 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)cc1 ZINC000075162047 406925974 /nfs/dbraw/zinc/92/59/74/406925974.db2.gz LGQGXBFLHFZHAZ-UHFFFAOYSA-N -1 0 308.363 1.352 50 0 DDAARM O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000033566672 406963168 /nfs/dbraw/zinc/96/31/68/406963168.db2.gz OTXQVQFARWTDCU-TVRMLOFPSA-N -1 0 318.329 1.175 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCOc2ccccc2Cl)CCO1 ZINC000043702010 407019941 /nfs/dbraw/zinc/01/99/41/407019941.db2.gz WWWUFSONFAFEMM-LBPRGKRZSA-N -1 0 313.737 1.421 50 0 DDAARM Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000036623944 406981772 /nfs/dbraw/zinc/98/17/72/406981772.db2.gz YXBZNKKSXVLCOU-CHWSQXEVSA-N -1 0 307.394 1.886 50 0 DDAARM Cn1cnnc1CN1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095377769 407210736 /nfs/dbraw/zinc/21/07/36/407210736.db2.gz HVSOKCCJEWJDEF-CQSZACIVSA-N -1 0 300.362 1.893 50 0 DDAARM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cnn(CCO)c1 ZINC000096426094 407264408 /nfs/dbraw/zinc/26/44/08/407264408.db2.gz LIYBENQDMLQIAN-UHFFFAOYSA-N -1 0 323.418 1.974 50 0 DDAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1CCO ZINC000100891614 407308898 /nfs/dbraw/zinc/30/88/98/407308898.db2.gz NBLQKGVAYMEGNG-UHFFFAOYSA-N -1 0 316.386 1.553 50 0 DDAARM O=C1CCCc2cc(S(=O)(=O)[N-]c3ncccn3)ccc2N1 ZINC000185642098 407468140 /nfs/dbraw/zinc/46/81/40/407468140.db2.gz RELBAPRHLMWJIK-UHFFFAOYSA-N -1 0 318.358 1.552 50 0 DDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000195568012 407468587 /nfs/dbraw/zinc/46/85/87/407468587.db2.gz WMEMABXRLRCNBR-SWHYSGLUSA-N -1 0 315.377 1.574 50 0 DDAARM CNc1nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cs1 ZINC000217020388 407499347 /nfs/dbraw/zinc/49/93/47/407499347.db2.gz MLKLVYZQIDTKDO-LBPRGKRZSA-N -1 0 317.370 1.837 50 0 DDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000217009353 407499385 /nfs/dbraw/zinc/49/93/85/407499385.db2.gz RNNJCNDFSBGHLN-HBYGRHMLSA-N -1 0 303.314 1.137 50 0 DDAARM Cc1c[nH]c([C@@H](C)NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)n1 ZINC000220118248 407538698 /nfs/dbraw/zinc/53/86/98/407538698.db2.gz AAXGTJAZPROSGB-LLVKDONJSA-N -1 0 311.345 1.688 50 0 DDAARM O=C(c1ccncc1[O-])N1CCCC[C@H]1CCN1CCOCC1 ZINC000220567851 407542191 /nfs/dbraw/zinc/54/21/91/407542191.db2.gz WWOMMLRDMFZTBS-AWEZNQCLSA-N -1 0 319.405 1.504 50 0 DDAARM O=C([N-]S(=O)(=O)c1cnccn1)C1C2CC3CC(C2)CC1C3 ZINC000152381560 407627121 /nfs/dbraw/zinc/62/71/21/407627121.db2.gz DURJZYPHOLSZKN-UHFFFAOYSA-N -1 0 321.402 1.354 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1)CCc1ccccc1 ZINC000236690058 407751984 /nfs/dbraw/zinc/75/19/84/407751984.db2.gz UKKOPQWQLLOYMC-BMOGTNHUSA-N -1 0 303.358 1.878 50 0 DDAARM CC[C@@H](C)c1ccccc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262163819 407756132 /nfs/dbraw/zinc/75/61/32/407756132.db2.gz VOVKNNVFQBRRGN-DOMZBBRYSA-N -1 0 321.373 1.891 50 0 DDAARM CC(C)CN(CCC(=O)[O-])C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000236731771 407764448 /nfs/dbraw/zinc/76/44/48/407764448.db2.gz PIAWIEPFHYUCQH-NSHDSACASA-N -1 0 310.350 1.357 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccccc3F)CC2)CCO1 ZINC000238051199 407878961 /nfs/dbraw/zinc/87/89/61/407878961.db2.gz HVHSNFDAPHJLTP-NSHDSACASA-N -1 0 307.321 1.559 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000238128691 407893468 /nfs/dbraw/zinc/89/34/68/407893468.db2.gz UHDALNXJBWYHTQ-CYBMUJFWSA-N -1 0 301.302 1.002 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CCO1 ZINC000262932042 407973931 /nfs/dbraw/zinc/97/39/31/407973931.db2.gz GLNWFZSHSQRLAG-GVXVVHGQSA-N -1 0 311.284 1.380 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)CCO1 ZINC000262941290 407976833 /nfs/dbraw/zinc/97/68/33/407976833.db2.gz GRLQUFXJBLKMPO-RIEGTJTDSA-N -1 0 319.357 1.679 50 0 DDAARM CCc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc1S(C)(=O)=O ZINC000262779543 407928314 /nfs/dbraw/zinc/92/83/14/407928314.db2.gz NVMIGFCIUJDEQR-SECBINFHSA-N -1 0 313.375 1.103 50 0 DDAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000263005738 407998352 /nfs/dbraw/zinc/99/83/52/407998352.db2.gz QLDGAEIGHUYDRL-PELKAZGASA-N -1 0 315.272 1.044 50 0 DDAARM Cc1nc2cc(F)ccc2cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000269000062 408222022 /nfs/dbraw/zinc/22/20/22/408222022.db2.gz XYSYXRBYTDNFFC-CQSZACIVSA-N -1 0 318.304 1.608 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnc(-c3ccccn3)s2)C1 ZINC000178266286 408796262 /nfs/dbraw/zinc/79/62/62/408796262.db2.gz BZNCOWQRNFMOCN-SECBINFHSA-N -1 0 303.343 1.752 50 0 DDAARM C[C@H]1Oc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2NC1=O ZINC000252483981 408796945 /nfs/dbraw/zinc/79/69/45/408796945.db2.gz FLPMEGAUHBHKHM-SECBINFHSA-N -1 0 319.342 1.602 50 0 DDAARM CC(=O)N1CC(Nc2cccc3c2ccn3CC(=O)[O-])=CC1=O ZINC000252501483 408800778 /nfs/dbraw/zinc/80/07/78/408800778.db2.gz UFSCTTFPFKAJSF-UHFFFAOYSA-N -1 0 313.313 1.410 50 0 DDAARM CC(C)NC(=O)CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047932404 418462671 /nfs/dbraw/zinc/46/26/71/418462671.db2.gz QXQQEUHBUDRMCQ-UHFFFAOYSA-N -1 0 320.374 1.252 50 0 DDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1 ZINC000069367455 418488439 /nfs/dbraw/zinc/48/84/39/418488439.db2.gz WBPGFVBNRZNQNK-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DDAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)CN1CCCC1=O)c1ccccc1 ZINC000119904745 418503196 /nfs/dbraw/zinc/50/31/96/418503196.db2.gz CTWAMSUJQCMTMD-XHDPSFHLSA-N -1 0 304.346 1.187 50 0 DDAARM Cn1c(C(=O)NCCCc2nnn[n-]2)cc2cc(F)ccc21 ZINC000426422886 419467474 /nfs/dbraw/zinc/46/74/74/419467474.db2.gz KLLZQDKNLIMKQZ-UHFFFAOYSA-N -1 0 302.313 1.193 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)Cc2cnccn2)c1 ZINC000426712762 419535182 /nfs/dbraw/zinc/53/51/82/419535182.db2.gz ORKYRQKPMIICAV-JTQLQIEISA-N -1 0 315.329 1.544 50 0 DDAARM C[C@@H]1C[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)[C@H](C)O1 ZINC000630178045 421940241 /nfs/dbraw/zinc/94/02/41/421940241.db2.gz ORFRGLSWRCSRDN-OAACRXHESA-N -1 0 309.337 1.924 50 0 DDAARM C[C@@H]1C[C@H](C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)[C@@H](C)O1 ZINC000630178047 421940736 /nfs/dbraw/zinc/94/07/36/421940736.db2.gz ORFRGLSWRCSRDN-XYHOJCAOSA-N -1 0 309.337 1.924 50 0 DDAARM CCN(C(=O)Cn1cc(C(=O)[O-])cn1)c1ccc(OC)cc1 ZINC000630290661 422008232 /nfs/dbraw/zinc/00/82/32/422008232.db2.gz YBMOGQRDFASZKD-UHFFFAOYSA-N -1 0 303.318 1.643 50 0 DDAARM O=C(N=c1ccc(C2CC2)n[n-]1)NCCCO[C@@H]1CCCCO1 ZINC000585119412 422307732 /nfs/dbraw/zinc/30/77/32/422307732.db2.gz GTXVYHSVWWFJAB-OAHLLOKOSA-N -1 0 320.393 1.831 50 0 DDAARM CC(C)n1cc(S(=O)(=O)[N-]c2csc(C(N)=O)c2)cn1 ZINC000585128917 422310073 /nfs/dbraw/zinc/31/00/73/422310073.db2.gz QZCKFCHJUGFCSX-UHFFFAOYSA-N -1 0 314.392 1.425 50 0 DDAARM O=C([O-])c1cnc(/C=C/c2cn(C[C@H]3CCOC3)nn2)s1 ZINC000630952030 422439902 /nfs/dbraw/zinc/43/99/02/422439902.db2.gz UMFXPCOVIHWXTA-GPYPMJJRSA-N -1 0 306.347 1.640 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649257432 423703060 /nfs/dbraw/zinc/70/30/60/423703060.db2.gz JVGJVFOGJJMVBW-UHFFFAOYSA-N -1 0 313.357 1.934 50 0 DDAARM CC(C)n1cc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000655597699 424588946 /nfs/dbraw/zinc/58/89/46/424588946.db2.gz WPLIZTGCGSFAML-CYBMUJFWSA-N -1 0 302.334 1.285 50 0 DDAARM CC(=O)N1[C@H](C(=O)[O-])CSC12CCC1(CC2)OCCO1 ZINC000008925748 278075267 /nfs/dbraw/zinc/07/52/67/278075267.db2.gz DRJNLRQDAAQYMU-JTQLQIEISA-N -1 0 301.364 1.048 50 0 DDAARM CC(C)[C@@H]1CN(c2nc3c(cc2C(N)=O)CCC3)C[C@H]1C(=O)[O-] ZINC000091574121 280016556 /nfs/dbraw/zinc/01/65/56/280016556.db2.gz FERWTFVIZQXQRM-QWHCGFSZSA-N -1 0 317.389 1.462 50 0 DDAARM COc1ccccc1N1CC[C@H](N2CCCC[C@H]2C(=O)[O-])C1=O ZINC000262249293 295370099 /nfs/dbraw/zinc/37/00/99/295370099.db2.gz CYOXPFZAHWDMKY-KBPBESRZSA-N -1 0 318.373 1.740 50 0 DDAARM C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000668287617 485079698 /nfs/dbraw/zinc/07/96/98/485079698.db2.gz HLAYXEKCUFJUMJ-ZLKJLUDKSA-N -1 0 309.337 1.925 50 0 DDAARM Cc1cc(C)cc(N2CC[C@H](C(=O)NCCC(=O)[O-])C2=O)c1 ZINC000299751512 534078095 /nfs/dbraw/zinc/07/80/95/534078095.db2.gz QUBDTQBDKFNUGS-CYBMUJFWSA-N -1 0 304.346 1.247 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(OC2CCCC2)cc1 ZINC000299750553 534526159 /nfs/dbraw/zinc/52/61/59/534526159.db2.gz NVSPSRYMQWTIMP-HNNXBMFYSA-N -1 0 319.357 1.934 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCO1 ZINC000299749023 534538202 /nfs/dbraw/zinc/53/82/02/534538202.db2.gz IXOZNIGPVOBVKD-UONOGXRCSA-N -1 0 305.330 1.003 50 0 DDAARM CCCOc1ccc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000492182165 528642744 /nfs/dbraw/zinc/64/27/44/528642744.db2.gz OBMPMKUUIHNIHZ-GTBONMDNSA-N -1 0 319.357 1.801 50 0 DDAARM CN(C)C(=O)c1cccnc1-c1ccc(OCC(=O)[O-])cc1 ZINC000215698736 563706906 /nfs/dbraw/zinc/70/69/06/563706906.db2.gz UGZURJHKRLMUID-UHFFFAOYSA-N -1 0 300.314 1.914 50 0 DDAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1Cn1cccn1 ZINC000020606341 696070486 /nfs/dbraw/zinc/07/04/86/696070486.db2.gz AIOBZKASUSSCOZ-TZMCWYRMSA-N -1 0 319.386 1.728 50 0 DDAARM CCN(CC(=O)[O-])C(=O)/C=C/c1cn(Cc2ccccc2)nn1 ZINC000095970029 696603538 /nfs/dbraw/zinc/60/35/38/696603538.db2.gz AKYYTTZKZBHHQS-CMDGGOBGSA-N -1 0 314.345 1.273 50 0 DDAARM C[C@@H](Oc1cccc(C(=O)/C=C/c2cnnn2C)c1)C(=O)[O-] ZINC000170655133 697348266 /nfs/dbraw/zinc/34/82/66/697348266.db2.gz SSPWHFWRNJPRAR-VQCYPWCPSA-N -1 0 301.302 1.563 50 0 DDAARM O=C(Nc1cncc(F)c1)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000585138253 771966577 /nfs/dbraw/zinc/96/65/77/771966577.db2.gz YWIYQHMTPSIARQ-JTQLQIEISA-N -1 0 306.301 1.804 50 0 DDAARM CCOC(=O)C1=NN=C2C(=O)N(c3ccc(C)cc3C)C([O-])=C12 ZINC000101030032 539178346 /nfs/dbraw/zinc/17/83/46/539178346.db2.gz KOXQRMOKPGIDGY-LLVKDONJSA-N -1 0 313.313 1.167 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000299749817 529872808 /nfs/dbraw/zinc/87/28/08/529872808.db2.gz LSEQVGAXURRENY-UHFFFAOYSA-N -1 0 304.346 1.356 50 0 DDAARM Cn1cc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)cn1 ZINC000669371731 539561691 /nfs/dbraw/zinc/56/16/91/539561691.db2.gz VOWITQCKVONKSW-IONNQARKSA-N -1 0 315.255 1.975 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262910718 295799832 /nfs/dbraw/zinc/79/98/32/295799832.db2.gz SBICDUOKFINHLT-QMMMGPOBSA-N -1 0 308.359 1.666 50 0 DDAARM Cc1ncsc1CN1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072151692 191055375 /nfs/dbraw/zinc/05/53/75/191055375.db2.gz HBNJXQWZESHXLF-UHFFFAOYSA-N -1 0 306.391 1.681 50 0 DDAARM COCc1cccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)c1 ZINC000072240276 191083631 /nfs/dbraw/zinc/08/36/31/191083631.db2.gz PWFDFHCSMDGUPB-UHFFFAOYSA-N -1 0 309.391 1.984 50 0 DDAARM CCOC(=O)C1=C([O-])c2ccccc2N(S(C)(=O)=O)CC1 ZINC000019878246 352169551 /nfs/dbraw/zinc/16/95/51/352169551.db2.gz WDDLRIOWVSCBIZ-LLVKDONJSA-N -1 0 311.359 1.218 50 0 DDAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CCc1cc(Cl)no1 ZINC000072434710 191166551 /nfs/dbraw/zinc/16/65/51/191166551.db2.gz SOHDQGMCPIXHKZ-LBPRGKRZSA-N -1 0 324.724 1.194 50 0 DDAARM O=C([O-])c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 ZINC000000317391 180757892 /nfs/dbraw/zinc/75/78/92/180757892.db2.gz BTCYOOVZJXHMTR-UHFFFAOYSA-N -1 0 323.308 1.733 50 0 DDAARM CCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000002166575 180913619 /nfs/dbraw/zinc/91/36/19/180913619.db2.gz HGOBMNGFVSYITN-UHFFFAOYSA-N -1 0 313.379 1.433 50 0 DDAARM COc1cc(OC)c(S(=O)(=O)NC(C)C)cc1C(=O)[O-] ZINC000002849824 180963671 /nfs/dbraw/zinc/96/36/71/180963671.db2.gz MOYZZBWOKXHVPZ-UHFFFAOYSA-N -1 0 303.336 1.089 50 0 DDAARM O=C([O-])C1=NC2=N[C@@H](c3cccs3)C[C@H](C(F)(F)F)N2N1 ZINC000033837946 304036330 /nfs/dbraw/zinc/03/63/30/304036330.db2.gz SINTYOCGLUYQQO-IYSWYEEDSA-N -1 0 318.280 1.783 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000003887217 181052936 /nfs/dbraw/zinc/05/29/36/181052936.db2.gz IEMGTWXFCBVWDG-TZMCWYRMSA-N -1 0 321.354 1.048 50 0 DDAARM CC(C)(C)C(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000236760059 201995583 /nfs/dbraw/zinc/99/55/83/201995583.db2.gz PKUFFHXXQTYRNO-UHFFFAOYSA-N -1 0 318.373 1.715 50 0 DDAARM CCOC(=O)N1CCC(NC(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000004784822 181152096 /nfs/dbraw/zinc/15/20/96/181152096.db2.gz KGWLBCWPXJCAMM-JTQLQIEISA-N -1 0 300.355 1.224 50 0 DDAARM CC(C)c1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)n(C)n1 ZINC000236881470 202049312 /nfs/dbraw/zinc/04/93/12/202049312.db2.gz NSYZKQOOVMXMKL-GFCCVEGCSA-N -1 0 323.393 1.639 50 0 DDAARM Cc1nn(C)c(C)c1CCC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237595816 202296643 /nfs/dbraw/zinc/29/66/43/202296643.db2.gz GNNRJODWCWLTAD-SNVBAGLBSA-N -1 0 307.394 1.681 50 0 DDAARM Cc1nn2cccnc2c1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237626153 202309276 /nfs/dbraw/zinc/30/92/76/202309276.db2.gz RWTZIGYYQHUEKR-LBPRGKRZSA-N -1 0 316.361 1.755 50 0 DDAARM Cn1cc(-c2ncc(C(=O)N3CCC[C@@H]3C(=O)[O-])s2)cn1 ZINC000237719497 202338178 /nfs/dbraw/zinc/33/81/78/202338178.db2.gz MVNHODPJUFGWQY-SECBINFHSA-N -1 0 306.347 1.233 50 0 DDAARM Cc1noc([C@@H]2CCCN(C(=O)c3ccc(C(=O)[O-])nc3)C2)n1 ZINC000237695681 202330021 /nfs/dbraw/zinc/33/00/21/202330021.db2.gz YRVWCZPPHCZGDP-LLVKDONJSA-N -1 0 316.317 1.491 50 0 DDAARM Cc1ccc(-c2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)on2)cc1 ZINC000237702929 202331360 /nfs/dbraw/zinc/33/13/60/202331360.db2.gz BJTAXVBSKXTRIB-AWEZNQCLSA-N -1 0 316.313 1.576 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1 ZINC000237965413 202406696 /nfs/dbraw/zinc/40/66/96/202406696.db2.gz FNAOQCIHGBXUHR-SNVBAGLBSA-N -1 0 303.767 1.646 50 0 DDAARM O=C([O-])CCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000238166797 202448082 /nfs/dbraw/zinc/44/80/82/202448082.db2.gz AUBDYCTWXVBUSO-UHFFFAOYSA-N -1 0 313.300 1.604 50 0 DDAARM COc1cc2c(cc1OC)[C@@H]([N-]C(=O)C(F)(F)F)CNC2=O ZINC000006453897 181342007 /nfs/dbraw/zinc/34/20/07/181342007.db2.gz SGZWNPAIMZNPEF-QMMMGPOBSA-N -1 0 318.251 1.167 50 0 DDAARM CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000006563383 181355708 /nfs/dbraw/zinc/35/57/08/181355708.db2.gz UDZLUXXCXDIIOK-MRVPVSSYSA-N -1 0 304.343 1.489 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)NC1(c2ccccc2)CCC1 ZINC000262649156 304114417 /nfs/dbraw/zinc/11/44/17/304114417.db2.gz KWRRPAQINRRJQD-AWEZNQCLSA-N -1 0 302.374 1.731 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000299742698 304114429 /nfs/dbraw/zinc/11/44/29/304114429.db2.gz INDQUXTVXGZFLO-UWVGGRQHSA-N -1 0 308.300 1.336 50 0 DDAARM O=C([N-]S(=O)(=O)NCc1ccco1)c1c[nH]c2ccccc12 ZINC000006756737 181383805 /nfs/dbraw/zinc/38/38/05/181383805.db2.gz UZMKUZMMFARZLW-UHFFFAOYSA-N -1 0 319.342 1.525 50 0 DDAARM CCC[C@@H]1CN(C(=O)CCc2nc(Cl)n[nH]2)C[C@H]1C(=O)[O-] ZINC000091425639 193053665 /nfs/dbraw/zinc/05/36/65/193053665.db2.gz RLFPNFUJVLYUAS-RKDXNWHRSA-N -1 0 314.773 1.350 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2oc(C)nc2C)C1 ZINC000091593812 193077198 /nfs/dbraw/zinc/07/71/98/193077198.db2.gz REIYGVILYOMYGZ-HNNXBMFYSA-N -1 0 310.350 1.635 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2cccnc2)C1 ZINC000091908293 193125420 /nfs/dbraw/zinc/12/54/20/193125420.db2.gz MFEBGUAVLLXNNK-KRWDZBQOSA-N -1 0 320.389 1.744 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000261673873 203091899 /nfs/dbraw/zinc/09/18/99/203091899.db2.gz LRYISYKCWSVFSH-CYBMUJFWSA-N -1 0 301.346 1.961 50 0 DDAARM O=C([O-])CCNC(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1 ZINC000261923624 203154540 /nfs/dbraw/zinc/15/45/40/203154540.db2.gz JJRZANADEHCVAI-CYBMUJFWSA-N -1 0 320.345 1.399 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1coc(-c2ccccc2)n1 ZINC000262518769 203316132 /nfs/dbraw/zinc/31/61/32/203316132.db2.gz QEORFAZBINCFGC-LBPRGKRZSA-N -1 0 302.286 1.267 50 0 DDAARM C[C@H](C(=O)Nc1cccc(-n2cc(C(=O)[O-])nn2)c1)C1CC1 ZINC000263521991 203475366 /nfs/dbraw/zinc/47/53/66/203475366.db2.gz HQIVGVBYOIVMPW-VIFPVBQESA-N -1 0 300.318 1.950 50 0 DDAARM Cc1nc2[n-]c(C(=O)NCc3ccccc3)nn2c(=O)c1Cl ZINC000017113088 182075648 /nfs/dbraw/zinc/07/56/48/182075648.db2.gz KJEIFQZVGYOELB-UHFFFAOYSA-N -1 0 317.736 1.722 50 0 DDAARM COc1ccc(Cc2nnc(SCC(C)=O)[n-]c2=O)cc1 ZINC000019897640 182161404 /nfs/dbraw/zinc/16/14/04/182161404.db2.gz ZNLFVVQNKDTHEO-UHFFFAOYSA-N -1 0 305.359 1.445 50 0 DDAARM CC[C@@H](C)[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)[O-] ZINC000025106956 182401736 /nfs/dbraw/zinc/40/17/36/182401736.db2.gz LRTBCPFCBUZNSH-YMTOWFKASA-N -1 0 317.345 1.081 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000238083807 304186347 /nfs/dbraw/zinc/18/63/47/304186347.db2.gz FTTPQLMCZBCMOS-LLVKDONJSA-N -1 0 302.286 1.324 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000037436294 182893311 /nfs/dbraw/zinc/89/33/11/182893311.db2.gz SMCHLATVDOUCBF-ZANVPECISA-N -1 0 309.749 1.967 50 0 DDAARM O=C([O-])CN(CC1CC1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000040503892 183084487 /nfs/dbraw/zinc/08/44/87/183084487.db2.gz HIONTHWWPLCMRU-UHFFFAOYSA-N -1 0 309.347 1.048 50 0 DDAARM Cc1ccc(-c2noc(CCCC(=O)NCC(=O)[O-])n2)cc1 ZINC000041155376 183178822 /nfs/dbraw/zinc/17/88/22/183178822.db2.gz GKYLVOMZIYEIRG-UHFFFAOYSA-N -1 0 303.318 1.569 50 0 DDAARM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@H]2CCC[C@@H]21 ZINC000057100592 184026939 /nfs/dbraw/zinc/02/69/39/184026939.db2.gz YIIBAHXXEBVHIN-ZFWWWQNUSA-N -1 0 300.362 1.726 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000269126096 207260010 /nfs/dbraw/zinc/26/00/10/207260010.db2.gz XYZNLGYXFTVEJN-HUUCEWRRSA-N -1 0 319.357 1.934 50 0 DDAARM CCOC(=O)N1CCN(C(=O)c2c([O-])cc(F)cc2F)CC1 ZINC000066041898 184385230 /nfs/dbraw/zinc/38/52/30/184385230.db2.gz DIICLJYCRNBHER-UHFFFAOYSA-N -1 0 314.288 1.585 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000269208566 207328216 /nfs/dbraw/zinc/32/82/16/207328216.db2.gz VCBMDEZMYBBUJY-GFCCVEGCSA-N -1 0 302.330 1.360 50 0 DDAARM O=C([O-])c1ccc2c(=O)n(-c3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000003906807 304251712 /nfs/dbraw/zinc/25/17/12/304251712.db2.gz FZNWVGOEEMYTLD-UHFFFAOYSA-N -1 0 300.245 1.516 50 0 DDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCCn2ccnc2)C1 ZINC000092028685 256548757 /nfs/dbraw/zinc/54/87/57/256548757.db2.gz IBKJOBMTLZJFLC-MRXNPFEDSA-N -1 0 323.393 1.393 50 0 DDAARM O=C([O-])CCN(C(=O)[C@H]1COc2ccccc21)C1CCOCC1 ZINC000364902235 257235942 /nfs/dbraw/zinc/23/59/42/257235942.db2.gz QCAZRCKERYKLAB-AWEZNQCLSA-N -1 0 319.357 1.645 50 0 DDAARM Cc1cc2ncc(C(=O)N3CCC[C@H]3c3ccco3)c(=O)n2[n-]1 ZINC000102724839 257242575 /nfs/dbraw/zinc/24/25/75/257242575.db2.gz LIJQGMAKSFIZHT-LBPRGKRZSA-N -1 0 312.329 1.901 50 0 DDAARM O=C([O-])c1n[nH]c2c1[C@@H](c1ccnn1-c1ccccc1)CC(=O)N2 ZINC000065423983 304282758 /nfs/dbraw/zinc/28/27/58/304282758.db2.gz SHZOIQNSDMMUPR-SNVBAGLBSA-N -1 0 323.312 1.768 50 0 DDAARM O=C([O-])CSC[C@H]1NC(=S)N(Cc2ccccc2)C1=O ZINC000000174767 406627879 /nfs/dbraw/zinc/62/78/79/406627879.db2.gz PBYDWVDWQXEJAI-SNVBAGLBSA-N -1 0 310.400 1.090 50 0 DDAARM Cc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)[O-])s1 ZINC000000500319 406654281 /nfs/dbraw/zinc/65/42/81/406654281.db2.gz MHSVMWIUKCUGQF-UHFFFAOYSA-N -1 0 320.330 1.512 50 0 DDAARM O=C([O-])c1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1 ZINC000001071684 406663155 /nfs/dbraw/zinc/66/31/55/406663155.db2.gz XJFDHWATIDAELU-UHFFFAOYSA-N -1 0 312.281 1.931 50 0 DDAARM CCn1cc(NC(=O)CCC(=O)[O-])c(C(=O)NCC(C)C)n1 ZINC000001460264 406672418 /nfs/dbraw/zinc/67/24/18/406672418.db2.gz ATIOAGKZZRKFDH-UHFFFAOYSA-N -1 0 310.354 1.092 50 0 DDAARM CCN(C[C@@H](O)COc1ccccc1Cl)S(=O)(=O)[O-] ZINC000002825915 406702337 /nfs/dbraw/zinc/70/23/37/406702337.db2.gz JUDOIBXIJOAANW-SECBINFHSA-N -1 0 309.771 1.204 50 0 DDAARM O=C([O-])CNC(=O)c1ccccc1I ZINC000000388058 406644936 /nfs/dbraw/zinc/64/49/36/406644936.db2.gz CORFWQGVBFFZHF-UHFFFAOYSA-N -1 0 305.071 1.106 50 0 biogenic,in-man DDAARM O=C([O-])c1cnc(/C=C/c2cnc(N3CCOCC3)nc2)s1 ZINC000069977327 406799221 /nfs/dbraw/zinc/79/92/21/406799221.db2.gz LEZSVUSEUDCYAF-OWOJBTEDSA-N -1 0 318.358 1.638 50 0 DDAARM CNC(=O)c1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000013098026 406858554 /nfs/dbraw/zinc/85/85/54/406858554.db2.gz WARZFCJXKSVVKK-UHFFFAOYSA-N -1 0 309.347 1.452 50 0 DDAARM CS[C@@H](CNC(=O)c1n[nH]c(=O)[n-]1)c1cccc(Cl)c1 ZINC000071898172 406863754 /nfs/dbraw/zinc/86/37/54/406863754.db2.gz XUIPBYUAIRWKLS-VIFPVBQESA-N -1 0 312.782 1.586 50 0 DDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC(F)(F)F)c1 ZINC000025100799 406894473 /nfs/dbraw/zinc/89/44/73/406894473.db2.gz HMMGHDQQGSQZNN-UHFFFAOYSA-N -1 0 310.297 1.659 50 0 DDAARM CN(CC(=O)NC1(C(=O)[O-])CCCCC1)C(=O)c1cccs1 ZINC000071802759 406843480 /nfs/dbraw/zinc/84/34/80/406843480.db2.gz LJMVTIPHHQHQSE-UHFFFAOYSA-N -1 0 324.402 1.724 50 0 DDAARM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3cccnc3)c[nH]2)o1 ZINC000075427978 406932288 /nfs/dbraw/zinc/93/22/88/406932288.db2.gz FCHFWADXONOATF-UHFFFAOYSA-N -1 0 319.346 1.823 50 0 DDAARM COCCn1c(C)c2c(cc1=O)[n-]n(-c1ccc(F)cc1)c2=O ZINC000036585071 406980247 /nfs/dbraw/zinc/98/02/47/406980247.db2.gz AOZKRLGGITUYPN-UHFFFAOYSA-N -1 0 317.320 1.938 50 0 DDAARM Cc1cc(O)c([C@H]2OC(=O)c3ccccc32)c(=O)n1CC(=O)[O-] ZINC000049543455 407123315 /nfs/dbraw/zinc/12/33/15/407123315.db2.gz BWXHLQHGSLZQTO-AWEZNQCLSA-N -1 0 315.281 1.207 50 0 DDAARM COC(=O)N(C)CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000089895866 407156290 /nfs/dbraw/zinc/15/62/90/407156290.db2.gz JXEBZRUITKLRKS-LBPRGKRZSA-N -1 0 322.361 1.434 50 0 DDAARM C[C@H](Cn1cccn1)NC(=O)c1ccccc1NCC(=O)[O-] ZINC000055383788 407201969 /nfs/dbraw/zinc/20/19/69/407201969.db2.gz WQDSHLIXIYGQSW-LLVKDONJSA-N -1 0 302.334 1.198 50 0 DDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2nnc(C)o2)cc1F ZINC000095354090 407208484 /nfs/dbraw/zinc/20/84/84/407208484.db2.gz BOOWQBBJVNWFCY-ZDUSSCGKSA-N -1 0 309.297 1.783 50 0 DDAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC[C@@H](C)C(=O)[O-] ZINC000095970579 407218528 /nfs/dbraw/zinc/21/85/28/407218528.db2.gz BZFAONJZCPFDSH-LLVKDONJSA-N -1 0 315.373 1.869 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(Cn2cccn2)o1 ZINC000095970254 407218593 /nfs/dbraw/zinc/21/85/93/407218593.db2.gz MGDKKDSWDSDCPT-OAHLLOKOSA-N -1 0 305.334 1.898 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]C(=O)c2scnc2C)c(C)o1 ZINC000095989281 407221255 /nfs/dbraw/zinc/22/12/55/407221255.db2.gz WHLGCVNJEFUWIS-UHFFFAOYSA-N -1 0 300.361 1.780 50 0 DDAARM O=C(NCCCNc1ncccn1)c1c([O-])cc(F)cc1F ZINC000066046941 407247351 /nfs/dbraw/zinc/24/73/51/407247351.db2.gz YBURWGAQLONQEB-UHFFFAOYSA-N -1 0 308.288 1.692 50 0 DDAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1-c1ncoc1C1CC1 ZINC000097696326 407301743 /nfs/dbraw/zinc/30/17/43/407301743.db2.gz ADWMAXZOZMCOKG-SECBINFHSA-N -1 0 304.306 1.399 50 0 DDAARM O=C([O-])C1(NC(=O)c2cccc3ncccc32)CCOCC1 ZINC000218071018 407511719 /nfs/dbraw/zinc/51/17/19/407511719.db2.gz XTQRMUADFCHMDO-UHFFFAOYSA-N -1 0 300.314 1.598 50 0 DDAARM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000236627962 407734180 /nfs/dbraw/zinc/73/41/80/407734180.db2.gz APECBMFDCZDOQQ-MSKHEQNASA-N -1 0 307.321 1.931 50 0 DDAARM Cc1noc(CNC(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)n1 ZINC000262280040 407781905 /nfs/dbraw/zinc/78/19/05/407781905.db2.gz ZKHVGJGNOIOODN-UHFFFAOYSA-N -1 0 319.317 1.388 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(-n3cncn3)c(F)c2)CCC1 ZINC000237981161 407859585 /nfs/dbraw/zinc/85/95/85/407859585.db2.gz VZLAKKRXXXDGIY-UHFFFAOYSA-N -1 0 304.281 1.144 50 0 DDAARM CCc1nnc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)[nH]1 ZINC000239807507 407906012 /nfs/dbraw/zinc/90/60/12/407906012.db2.gz CSNLKWQFRLLYLE-UHFFFAOYSA-N -1 0 322.390 1.881 50 0 DDAARM COc1nc(C)ccc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262851174 407954902 /nfs/dbraw/zinc/95/49/02/407954902.db2.gz DPNRHCYPCMDMTL-GVXVVHGQSA-N -1 0 304.346 1.724 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2nn(C)cc2Cl)C1 ZINC000263147882 408038481 /nfs/dbraw/zinc/03/84/81/408038481.db2.gz FDIJPMMBSNZYNR-RKDXNWHRSA-N -1 0 314.773 1.326 50 0 DDAARM COc1ccc(CCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000262978924 407990842 /nfs/dbraw/zinc/99/08/42/407990842.db2.gz MRARNGGMTGOEGR-CQSZACIVSA-N -1 0 307.346 1.330 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)CCc1cccc(F)c1F ZINC000263255993 408079297 /nfs/dbraw/zinc/07/92/97/408079297.db2.gz FPQBQTXOHUQLON-NSHDSACASA-N -1 0 313.300 1.600 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000136123949 408080719 /nfs/dbraw/zinc/08/07/19/408080719.db2.gz JIEJXUXKXJXBNY-SNVBAGLBSA-N -1 0 310.375 1.321 50 0 DDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccnn1C1CCCC1 ZINC000263343079 408112010 /nfs/dbraw/zinc/11/20/10/408112010.db2.gz YEWMIRMRPOCWFH-LBPRGKRZSA-N -1 0 307.350 1.314 50 0 DDAARM COc1cccc([C@@H]2C[C@H](O)CN2c2cnc(C(=O)[O-])cn2)c1 ZINC000263375073 408122429 /nfs/dbraw/zinc/12/24/29/408122429.db2.gz BFDQTVWVLNTYIC-FZMZJTMJSA-N -1 0 315.329 1.496 50 0 DDAARM Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)cc1 ZINC000263554842 408173188 /nfs/dbraw/zinc/17/31/88/408173188.db2.gz NPIURRBNZJZPRI-LBPRGKRZSA-N -1 0 319.361 1.392 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3n[nH]nc3c2)c2ccccc21 ZINC000177483737 408633508 /nfs/dbraw/zinc/63/35/08/408633508.db2.gz CGTJFKDXQUMMHX-NSHDSACASA-N -1 0 308.297 1.787 50 0 DDAARM Cc1cc(C)n([C@H](C)CC(=O)Nc2cnn(CC(=O)[O-])c2)n1 ZINC000647745165 423028833 /nfs/dbraw/zinc/02/88/33/423028833.db2.gz RQSGYPXMYRKSHZ-LLVKDONJSA-N -1 0 305.338 1.371 50 0 DDAARM Cc1cc(C)n([C@@H](C)CC(=O)Nc2cnn(CC(=O)[O-])c2)n1 ZINC000647745167 423028873 /nfs/dbraw/zinc/02/88/73/423028873.db2.gz RQSGYPXMYRKSHZ-NSHDSACASA-N -1 0 305.338 1.371 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136514047 196539318 /nfs/dbraw/zinc/53/93/18/196539318.db2.gz ALEDXPBGPYYVLD-HZMBPMFUSA-N -1 0 307.394 1.681 50 0 DDAARM Cc1cnc2c(cccc2S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000171383023 221751940 /nfs/dbraw/zinc/75/19/40/221751940.db2.gz KFABSJQSUIVFKT-GFCCVEGCSA-N -1 0 320.370 1.638 50 0 DDAARM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cn1 ZINC000069676117 418487839 /nfs/dbraw/zinc/48/78/39/418487839.db2.gz XFHAULMBTHPRFR-UHFFFAOYSA-N -1 0 314.370 2.283 50 0 DDAARM Cc1[n-]n(C)c(=O)c1C(=O)NCCCOCCc1ccccc1 ZINC000101901969 418494478 /nfs/dbraw/zinc/49/44/78/418494478.db2.gz UPHMEVUNFZSKSV-HNNXBMFYSA-N -1 0 317.389 1.216 50 0 DDAARM CCOC(=O)c1c[n-]n(C2CCN(Cc3ccco3)CC2)c1=N ZINC000101913036 418494856 /nfs/dbraw/zinc/49/48/56/418494856.db2.gz IJCKDYNMEOHRDG-UHFFFAOYSA-N -1 0 318.377 1.902 50 0 DDAARM O=C(Cc1cccs1)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102989964 418495369 /nfs/dbraw/zinc/49/53/69/418495369.db2.gz KWXZNYYZAUEGMF-UHFFFAOYSA-N -1 0 314.370 1.212 50 0 DDAARM C[C@H](C(=O)[O-])[C@H](NC(=O)CN1CCCC1=O)c1ccccc1 ZINC000119904466 418503168 /nfs/dbraw/zinc/50/31/68/418503168.db2.gz CTWAMSUJQCMTMD-NHYWBVRUSA-N -1 0 304.346 1.187 50 0 DDAARM COCc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000408513234 418806182 /nfs/dbraw/zinc/80/61/82/418806182.db2.gz CLQQSWSQUKSHJR-UHFFFAOYSA-N -1 0 321.373 1.929 50 0 DDAARM C[C@H](CC(=O)[O-])NC(=O)N(C)Cc1nc(-c2ccncc2)no1 ZINC000426633775 419520800 /nfs/dbraw/zinc/52/08/00/419520800.db2.gz DUCVTJCAPJIJJC-SECBINFHSA-N -1 0 319.321 1.136 50 0 DDAARM O=C([O-])C[C@@H](NC(=O)CN1CCCCC1=O)c1ccccc1 ZINC000426551293 419507226 /nfs/dbraw/zinc/50/72/26/419507226.db2.gz NTYDHINKJBTJAG-CYBMUJFWSA-N -1 0 304.346 1.331 50 0 DDAARM O=C([O-])Cn1ccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000426580742 419511095 /nfs/dbraw/zinc/51/10/95/419511095.db2.gz JWPHPZMYXUUDAS-AWEZNQCLSA-N -1 0 300.362 1.742 50 0 DDAARM O=C([O-])C1CCC(NC(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC000652058656 423821827 /nfs/dbraw/zinc/82/18/27/423821827.db2.gz AAKWVQHDXYGHBM-UHFFFAOYSA-N -1 0 305.378 1.522 50 0 DDAARM Cn1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1=O ZINC000237883130 302908046 /nfs/dbraw/zinc/90/80/46/302908046.db2.gz BGBSWOTVLNCJIK-WXHSDQCUSA-N -1 0 304.346 1.243 50 0 DDAARM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC000530207825 303183720 /nfs/dbraw/zinc/18/37/20/303183720.db2.gz RLAAEQVGBWUVBW-SJCJKPOMSA-N -1 0 320.389 1.812 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])s1 ZINC000299749889 303342852 /nfs/dbraw/zinc/34/28/52/303342852.db2.gz LYVRAEWRNRQHLT-AEJSXWLSSA-N -1 0 322.386 1.705 50 0 DDAARM [NH3+][C@@H](C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-])C(=O)[O-] ZINC000012650594 303449635 /nfs/dbraw/zinc/44/96/35/303449635.db2.gz DGVMWWMTSDUMAQ-WPRPVWTQSA-N -1 0 305.252 1.751 50 0 DDAARM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cc(Br)ccc1O ZINC000663114819 484680099 /nfs/dbraw/zinc/68/00/99/484680099.db2.gz IXFQOUWRAFZJPU-LLVKDONJSA-N -1 0 318.123 1.583 50 0 DDAARM O=C([O-])c1n[nH]cc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000670448746 484836338 /nfs/dbraw/zinc/83/63/38/484836338.db2.gz OAHAJIXBRKRGJQ-UHFFFAOYSA-N -1 0 316.361 1.131 50 0 DDAARM Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(=O)[nH]1 ZINC000390834254 490779202 /nfs/dbraw/zinc/77/92/02/490779202.db2.gz VFNYABOQLKEMFK-UHFFFAOYSA-N -1 0 308.315 1.595 50 0 DDAARM Cc1c(C(=O)NCCCC(=O)[O-])cccc1N1CCNC1=O ZINC000299752810 533784757 /nfs/dbraw/zinc/78/47/57/533784757.db2.gz VNVHUORDZLPEQX-UHFFFAOYSA-N -1 0 305.334 1.119 50 0 DDAARM O=C([O-])CN(C(=O)c1cnc2ccccc2n1)C1CCOCC1 ZINC000299753812 534499364 /nfs/dbraw/zinc/49/93/64/534499364.db2.gz ZKYABVJXKYXSKS-UHFFFAOYSA-N -1 0 315.329 1.336 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)C1 ZINC000328590434 534520871 /nfs/dbraw/zinc/52/08/71/534520871.db2.gz POMHLYXFFPFIHD-PSKZRQQASA-N -1 0 311.341 1.819 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2coc(-c3ccccc3)n2)CCO1 ZINC000299750579 534524204 /nfs/dbraw/zinc/52/42/04/534524204.db2.gz NZKXFKWBQYWNHI-ZDUSSCGKSA-N -1 0 316.313 1.196 50 0 DDAARM CCOc1ccccc1/C=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000321585672 528704034 /nfs/dbraw/zinc/70/40/34/528704034.db2.gz JSXSBUUEMZASTR-NPQIQWPPSA-N -1 0 319.357 1.801 50 0 DDAARM COc1ccccc1C/C(C)=C\C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000606441124 600059828 /nfs/dbraw/zinc/05/98/28/600059828.db2.gz PFAZVOZWIVSGLA-WQTVUKCASA-N -1 0 319.357 1.496 50 0 DDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1ccnc(C(C)C)n1 ZINC000055309975 696283407 /nfs/dbraw/zinc/28/34/07/696283407.db2.gz WUDWSALWEHUVCO-UHFFFAOYSA-N -1 0 317.349 1.750 50 0 DDAARM COc1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1C(N)=O ZINC000067673771 696363037 /nfs/dbraw/zinc/36/30/37/696363037.db2.gz BAQIFUGPRDFXNP-UHFFFAOYSA-N -1 0 317.345 1.614 50 0 DDAARM Cn1nc([C@H]2CCCN(C(=O)O[C@@H]3CCOC3)C2)cc1C(=O)[O-] ZINC000952994248 721534560 /nfs/dbraw/zinc/53/45/60/721534560.db2.gz YDLLLQJMSBWAJA-WDEREUQCSA-N -1 0 323.349 1.223 50 0 DDAARM Cn1cc([C@@H]2OCCC[C@H]2C(=O)N2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000585139509 771967304 /nfs/dbraw/zinc/96/73/04/771967304.db2.gz IOSRAIGWFNBGAU-MCIONIFRSA-N -1 0 321.377 1.354 50 0 DDAARM Cc1ncsc1CCC(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000095501922 185375155 /nfs/dbraw/zinc/37/51/55/185375155.db2.gz ZTSBZOZUFJFJIK-LLVKDONJSA-N -1 0 320.374 1.145 50 0 DDAARM COc1ccc(-c2cc(C(=O)NCCCC(=O)[O-])[nH]n2)cc1 ZINC000095522248 185377548 /nfs/dbraw/zinc/37/75/48/185377548.db2.gz VTRJYUMJYJNBOX-UHFFFAOYSA-N -1 0 303.318 1.680 50 0 DDAARM CCN1C[C@@H](C(=O)NCCc2ccc(C(=O)[O-])cc2)CCC1=O ZINC000095523260 185377909 /nfs/dbraw/zinc/37/79/09/185377909.db2.gz YYTVSKFVLAOXJP-AWEZNQCLSA-N -1 0 318.373 1.302 50 0 DDAARM CCc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnn1C(C)(C)C ZINC000299753222 529476502 /nfs/dbraw/zinc/47/65/02/529476502.db2.gz XIKDTYCDMXPKPG-GFCCVEGCSA-N -1 0 309.366 1.126 50 0 DDAARM C[C@H](Cc1cnn(C)c1)NC(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263336683 539276074 /nfs/dbraw/zinc/27/60/74/539276074.db2.gz MOYDNIZSVAUNRE-WZRBSPASSA-N -1 0 308.382 1.103 50 0 DDAARM O=C(Cn1cccc(C(F)(F)F)c1=O)[N-]O[C@H]1CCCCO1 ZINC000095393494 185352097 /nfs/dbraw/zinc/35/20/97/185352097.db2.gz KKLYKPZAFPSBHK-NSHDSACASA-N -1 0 320.267 1.442 50 0 DDAARM Cc1ccc(C[C@H](CNC(=O)c2cnsn2)C(=O)[O-])cc1 ZINC000095425432 185361582 /nfs/dbraw/zinc/36/15/82/185361582.db2.gz LZWPDUJNBRKKPM-LLVKDONJSA-N -1 0 305.359 1.520 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2cc(F)ccc2F)c1 ZINC000095471816 185372687 /nfs/dbraw/zinc/37/26/87/185372687.db2.gz IBARDJFQXJLDLX-UHFFFAOYSA-N -1 0 308.240 1.463 50 0 DDAARM COc1ccc(C(N)=O)cc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071288042 190953182 /nfs/dbraw/zinc/95/31/82/190953182.db2.gz WYCDMNNQVICBOG-GHMZBOCLSA-N -1 0 306.318 1.089 50 0 DDAARM O=C([O-])c1nccnc1C(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000071285716 190953771 /nfs/dbraw/zinc/95/37/71/190953771.db2.gz FBVAFIIWKZJXJS-UHFFFAOYSA-N -1 0 309.285 1.817 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000071284284 190952323 /nfs/dbraw/zinc/95/23/23/190952323.db2.gz NWAQMSULAOFQPH-UWVGGRQHSA-N -1 0 310.737 1.734 50 0 DDAARM O=C([N-]S(=O)(=O)c1cnccn1)c1cc2c(s1)CCC2 ZINC000152451442 186074551 /nfs/dbraw/zinc/07/45/51/186074551.db2.gz XCBYQVLYAMMHLB-UHFFFAOYSA-N -1 0 309.372 1.146 50 0 DDAARM CC(C)[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)C(=O)[O-] ZINC000078824835 353534367 /nfs/dbraw/zinc/53/43/67/353534367.db2.gz FSZVRAXHRINVEE-GFCCVEGCSA-N -1 0 323.374 1.956 50 0 DDAARM Cc1c(C(=O)Nc2nnn[n-]2)nnn1-c1ccc(Cl)cc1F ZINC000078878327 353536355 /nfs/dbraw/zinc/53/63/55/353536355.db2.gz BPJOINDUUWSATC-UHFFFAOYSA-N -1 0 322.691 1.134 50 0 DDAARM O=C([O-])c1cccc(S(=O)(=O)NOCc2ccccc2)c1 ZINC000003410597 181016672 /nfs/dbraw/zinc/01/66/72/181016672.db2.gz WEBVGKZVLZQEJS-UHFFFAOYSA-N -1 0 307.327 1.795 50 0 DDAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000096595573 353915121 /nfs/dbraw/zinc/91/51/21/353915121.db2.gz IYHIUUSHYJZJMG-TZMCWYRMSA-N -1 0 318.373 1.529 50 0 DDAARM C[C@H](c1ccncc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004099751 181073672 /nfs/dbraw/zinc/07/36/72/181073672.db2.gz IZTDDJXWSQKAAY-HDNYONAXSA-N -1 0 300.314 1.009 50 0 DDAARM CCOC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000004352517 181101446 /nfs/dbraw/zinc/10/14/46/181101446.db2.gz NADRFVQJUKWNGP-ONGXEEELSA-N -1 0 322.704 1.147 50 0 DDAARM COc1cccc(C=C2SC(=O)NC2=O)c1O[C@H](C)C(=O)[O-] ZINC000004743037 181146270 /nfs/dbraw/zinc/14/62/70/181146270.db2.gz LYYBMSNYYPCRJF-VSUWBIFXSA-N -1 0 323.326 1.871 50 0 DDAARM CCOC(=O)N1CCC(NC(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000004784820 181151998 /nfs/dbraw/zinc/15/19/98/181151998.db2.gz KGWLBCWPXJCAMM-SNVBAGLBSA-N -1 0 300.355 1.224 50 0 DDAARM COCCCN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000005016002 181190864 /nfs/dbraw/zinc/19/08/64/181190864.db2.gz GFISKBGEPUTETQ-GFCCVEGCSA-N -1 0 323.370 1.641 50 0 DDAARM Cc1n[n-]c(SCC(=O)N2CCc3ccccc32)nc1=O ZINC000005045260 181195947 /nfs/dbraw/zinc/19/59/47/181195947.db2.gz VNTJFJJRHMXJIO-UHFFFAOYSA-N -1 0 302.359 1.155 50 0 DDAARM O=C([O-])CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O ZINC000026421639 304065075 /nfs/dbraw/zinc/06/50/75/304065075.db2.gz JCTBTCMONLNRKR-UHFFFAOYSA-N -1 0 302.265 1.196 50 0 DDAARM C[C@@H]1CCCC[C@H]1OCCNC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237392995 202253253 /nfs/dbraw/zinc/25/32/53/202253253.db2.gz QIBLDOWGXHVLGA-HZSPNIEDSA-N -1 0 312.410 1.247 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)CCO1 ZINC000271906533 304077348 /nfs/dbraw/zinc/07/73/48/304077348.db2.gz NVKQWCASRGCWCL-GFCCVEGCSA-N -1 0 321.329 1.164 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Cn2cncn2)C1 ZINC000237654403 202318069 /nfs/dbraw/zinc/31/80/69/202318069.db2.gz GITUTOBKHOVAFB-MRXNPFEDSA-N -1 0 314.345 1.263 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCOC1 ZINC000237938595 202397225 /nfs/dbraw/zinc/39/72/25/202397225.db2.gz XBCAVSDVJBYWQV-XPTSAGLGSA-N -1 0 320.320 1.455 50 0 DDAARM O=C([O-])C1(NC(=O)c2cccc(N3CCCC3=O)c2)CCC1 ZINC000237983070 202411947 /nfs/dbraw/zinc/41/19/47/202411947.db2.gz JXBLKEBQNAVAGN-UHFFFAOYSA-N -1 0 302.330 1.551 50 0 DDAARM COc1ccccc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000006471380 181343595 /nfs/dbraw/zinc/34/35/95/181343595.db2.gz KNECDAIQJCUUES-UHFFFAOYSA-N -1 0 306.343 1.595 50 0 DDAARM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccccc1F ZINC000006623495 181362376 /nfs/dbraw/zinc/36/23/76/181362376.db2.gz NYAXYCHZKLFQEM-UHFFFAOYSA-N -1 0 319.321 1.602 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@H]1c1ccccc1 ZINC000091636582 193082929 /nfs/dbraw/zinc/08/29/29/193082929.db2.gz NWQIJEKWMLOLLG-UONOGXRCSA-N -1 0 312.325 1.315 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CSCC2CC2)C[C@H]1c1ccncc1 ZINC000092081887 193155214 /nfs/dbraw/zinc/15/52/14/193155214.db2.gz UEAWPHGADFPOSA-UONOGXRCSA-N -1 0 320.414 1.851 50 0 DDAARM Cc1c(C(=O)N2CCC(C(=O)[O-])CC2)[nH]c2c1C(=O)CCC2 ZINC000008734408 181580976 /nfs/dbraw/zinc/58/09/76/181580976.db2.gz XIZANDZSZAPQEE-UHFFFAOYSA-N -1 0 304.346 1.779 50 0 DDAARM O=C([O-])CCCN1C(=O)C(=O)c2cc(Br)ccc21 ZINC000013609182 181868511 /nfs/dbraw/zinc/86/85/11/181868511.db2.gz JLXXAJIPXXKSNH-UHFFFAOYSA-N -1 0 312.119 1.843 50 0 DDAARM CCn1cc(CN(C)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)n1 ZINC000020606862 182237955 /nfs/dbraw/zinc/23/79/55/182237955.db2.gz VVHOCQWQVCFXRI-KGLIPLIRSA-N -1 0 305.378 1.837 50 0 DDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)n[nH]1 ZINC000021096289 182265279 /nfs/dbraw/zinc/26/52/79/182265279.db2.gz QTMJEOBGTSRALS-UHFFFAOYSA-N -1 0 309.347 1.696 50 0 DDAARM CC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000021518758 182277811 /nfs/dbraw/zinc/27/78/11/182277811.db2.gz NCIOBLYUKPOOPQ-CYBMUJFWSA-N -1 0 313.375 1.667 50 0 DDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1CC ZINC000021883845 182296078 /nfs/dbraw/zinc/29/60/78/182296078.db2.gz HFVDMJFWGBIYCC-UHFFFAOYSA-N -1 0 323.374 1.950 50 0 DDAARM COCc1cc(=O)n2nc(SCc3ccccc3)[n-]c2n1 ZINC000100125793 193795086 /nfs/dbraw/zinc/79/50/86/193795086.db2.gz WTGDVPDKMOUNOS-UHFFFAOYSA-N -1 0 302.359 1.856 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)[C@@H]2SCCc3ccccc32)CCO1 ZINC000299750413 304197468 /nfs/dbraw/zinc/19/74/68/304197468.db2.gz NKWRNCRCMVTTAM-CHWSQXEVSA-N -1 0 307.371 1.329 50 0 DDAARM CCOc1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000314983156 248845033 /nfs/dbraw/zinc/84/50/33/248845033.db2.gz QVGFNRNMOUBFJI-PODYEWJSSA-N -1 0 305.330 1.411 50 0 DDAARM COc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2)ccn1 ZINC000040555409 183101829 /nfs/dbraw/zinc/10/18/29/183101829.db2.gz XSSYZGITBIIGMU-UHFFFAOYSA-N -1 0 306.343 1.350 50 0 DDAARM O=C([O-])[C@]1(NC(=O)[C@@H]2CCOc3ccccc32)CCSC1 ZINC000111185483 304213797 /nfs/dbraw/zinc/21/37/97/304213797.db2.gz RHGROOYNUNPUAN-ABAIWWIYSA-N -1 0 307.371 1.629 50 0 DDAARM O=C([O-])CCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000057352157 184034985 /nfs/dbraw/zinc/03/49/85/184034985.db2.gz IHENDYZQILEZMW-UHFFFAOYSA-N -1 0 301.277 1.777 50 0 DDAARM Cc1cccc(OCCCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268985205 207142624 /nfs/dbraw/zinc/14/26/24/207142624.db2.gz PILXWQJSNYUKME-CQSZACIVSA-N -1 0 307.346 1.466 50 0 DDAARM COc1cc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000268988153 207144920 /nfs/dbraw/zinc/14/49/20/207144920.db2.gz QYNHVGUJNMPZSB-RDFMZFSFSA-N -1 0 321.329 1.029 50 0 DDAARM O=C([O-])c1ccc(-n2cc(NC(=O)[C@@H]3CCOC3)cn2)cc1 ZINC000299781055 304230979 /nfs/dbraw/zinc/23/09/79/304230979.db2.gz OCXQRMSDRXRFED-LLVKDONJSA-N -1 0 301.302 1.546 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000269093768 207235668 /nfs/dbraw/zinc/23/56/68/207235668.db2.gz XSWKRZDJRMUAMM-ZFWWWQNUSA-N -1 0 320.389 1.209 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000269093764 207235941 /nfs/dbraw/zinc/23/59/41/207235941.db2.gz XSWKRZDJRMUAMM-DZGCQCFKSA-N -1 0 320.389 1.209 50 0 DDAARM CO[N-]C(=O)[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000063727104 184286843 /nfs/dbraw/zinc/28/68/43/184286843.db2.gz SUCYELISNDVTMA-LBPRGKRZSA-N -1 0 305.359 1.361 50 0 DDAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)Cc1ccc(O)c(Cl)c1 ZINC000065454780 184347192 /nfs/dbraw/zinc/34/71/92/184347192.db2.gz IEBNXONQAUYUQZ-GXSJLCMTSA-N -1 0 313.737 1.025 50 0 DDAARM COc1ccc(C(C)(C)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000269184744 207305804 /nfs/dbraw/zinc/30/58/04/207305804.db2.gz MFVZVVPAYIQZPW-NSHDSACASA-N -1 0 321.373 1.915 50 0 DDAARM COc1cccc2ccc(CN3CC[C@H](O)C[C@@H]3C(=O)[O-])nc21 ZINC000065406538 184338734 /nfs/dbraw/zinc/33/87/34/184338734.db2.gz DOMTWOJUWXFMMV-UONOGXRCSA-N -1 0 316.357 1.653 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1cc(F)cc2nccnc21)C(=O)[O-] ZINC000156180024 197092636 /nfs/dbraw/zinc/09/26/36/197092636.db2.gz SQHKKHVHNRALKV-GFCCVEGCSA-N -1 0 305.309 1.998 50 0 DDAARM Cc1cc(C)n(-c2ccc(NC3=CC(=O)NC3)cc2C(=O)[O-])n1 ZINC000524733911 257213712 /nfs/dbraw/zinc/21/37/12/257213712.db2.gz CPXLHCCCPFQCSI-UHFFFAOYSA-N -1 0 312.329 1.613 50 0 DDAARM O=C([O-])C1(NC(=O)c2cccc3cccnc32)CCOCC1 ZINC000317153922 257241993 /nfs/dbraw/zinc/24/19/93/257241993.db2.gz GMHVXRIISQYKIV-UHFFFAOYSA-N -1 0 300.314 1.598 50 0 DDAARM COc1ccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])cc1OC ZINC000268982770 257257310 /nfs/dbraw/zinc/25/73/10/257257310.db2.gz OGVTTZIGNWIHPO-FUEXJSSKSA-N -1 0 321.329 1.029 50 0 DDAARM Cc1cc([C@H]2CCCN2Cc2cc(=O)n3[n-]c(C)cc3n2)on1 ZINC000334159636 257261771 /nfs/dbraw/zinc/26/17/71/257261771.db2.gz XEVVXXSLKPCYHM-CYBMUJFWSA-N -1 0 313.361 1.965 50 0 DDAARM O=S(=O)([O-])[C@H](O)c1cccc(I)c1 ZINC000001885425 406682340 /nfs/dbraw/zinc/68/23/40/406682340.db2.gz UPXYKLJIKNGBRY-ZETCQYMHSA-N -1 0 314.100 1.170 50 0 DDAARM CC[C@@H](C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000002105158 406682459 /nfs/dbraw/zinc/68/24/59/406682459.db2.gz JCFPMPHELOZYDY-RNCFNFMXSA-N -1 0 308.334 1.714 50 0 biogenic DDAARM O=S(=O)([N-]c1ccc(N2CCOCC2)nn1)c1ccccc1 ZINC000002634439 406693796 /nfs/dbraw/zinc/69/37/96/406693796.db2.gz OXQQUABXROAUOP-UHFFFAOYSA-N -1 0 320.374 1.114 50 0 DDAARM CC(C)=CCC[C@H](C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004027370 406721094 /nfs/dbraw/zinc/72/10/94/406721094.db2.gz AYRGGDSIYYYSRA-RKWLLSJHSA-N -1 0 305.374 1.988 50 0 biogenic DDAARM CC(NNc1cccc2ccccc21)=C1C(=O)[N-]C(=O)NC1=O ZINC000009332733 406806424 /nfs/dbraw/zinc/80/64/24/406806424.db2.gz ODHMDJVEGDQJJG-UHFFFAOYSA-N -1 0 310.313 1.396 50 0 DDAARM Cc1ccc2c(N)c(C(=O)N3CCC[C@H]3C(=O)[O-])sc2n1 ZINC000008783639 406798011 /nfs/dbraw/zinc/79/80/11/406798011.db2.gz HDUVMUHMMQPXOZ-VIFPVBQESA-N -1 0 305.359 1.876 50 0 biogenic,in-vitro DDAARM CCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000009468262 406810026 /nfs/dbraw/zinc/81/00/26/406810026.db2.gz AVIQBKLFRBFRRF-UHFFFAOYSA-N -1 0 321.362 1.419 50 0 DDAARM CCSc1nnc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)s1 ZINC000011915219 406832112 /nfs/dbraw/zinc/83/21/12/406832112.db2.gz OAUWHFWBAJBFAT-SCSAIBSYSA-N -1 0 318.405 1.330 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000071285434 406835796 /nfs/dbraw/zinc/83/57/96/406835796.db2.gz TYCBEKVUELNSMY-STQMWFEESA-N -1 0 316.357 1.874 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC000071288618 406837988 /nfs/dbraw/zinc/83/79/88/406837988.db2.gz LQFAKDZMQHPHJB-GHMZBOCLSA-N -1 0 324.764 1.995 50 0 DDAARM CCCN1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000013070093 406857945 /nfs/dbraw/zinc/85/79/45/406857945.db2.gz ILRGYPUPYUFCLJ-UHFFFAOYSA-N -1 0 312.391 1.101 50 0 DDAARM C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccn1 ZINC000013072075 406858456 /nfs/dbraw/zinc/85/84/56/406858456.db2.gz SKILZLKLDZFAQH-JTQLQIEISA-N -1 0 306.343 1.819 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Br)o2)C1 ZINC000013170339 406859221 /nfs/dbraw/zinc/85/92/21/406859221.db2.gz PZALWLKEGHIWPD-SSDOTTSWSA-N -1 0 302.124 1.979 50 0 DDAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NCc1ccco1 ZINC000013419500 406860848 /nfs/dbraw/zinc/86/08/48/406860848.db2.gz NVVRDJQDGGFBNP-UHFFFAOYSA-N -1 0 305.286 1.682 50 0 DDAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(=O)[nH]ncn3c2)c(C)c1 ZINC000075874140 406944413 /nfs/dbraw/zinc/94/44/13/406944413.db2.gz YHFIHEWLGBPTHY-UHFFFAOYSA-N -1 0 318.358 1.440 50 0 DDAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cnc(N)nc2)cc1 ZINC000033074052 406959141 /nfs/dbraw/zinc/95/91/41/406959141.db2.gz DETAVXIAFLEUCS-UHFFFAOYSA-N -1 0 322.346 1.036 50 0 DDAARM Cc1nn(C)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1C ZINC000078612480 407036522 /nfs/dbraw/zinc/03/65/22/407036522.db2.gz COYJHEWXBMBPST-UHFFFAOYSA-N -1 0 305.363 1.714 50 0 DDAARM CS(=O)(=O)[N-]c1nnc(NC(=O)CC2CCCCC2)s1 ZINC000044972338 407037122 /nfs/dbraw/zinc/03/71/22/407037122.db2.gz VKOJANVHCWAHMH-UHFFFAOYSA-N -1 0 318.424 1.819 50 0 DDAARM COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000089466103 407135967 /nfs/dbraw/zinc/13/59/67/407135967.db2.gz PGXRNEHUQTZEAO-ZDUSSCGKSA-N -1 0 300.314 1.516 50 0 DDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000089702015 407144468 /nfs/dbraw/zinc/14/44/68/407144468.db2.gz OXYYBCMERDWXSL-GHMZBOCLSA-N -1 0 314.432 1.617 50 0 DDAARM CCn1c2cc(C(=O)[O-])cnc2n(CCc2ccccn2)c1=O ZINC000055108199 407195691 /nfs/dbraw/zinc/19/56/91/407195691.db2.gz QWKHCLQIWCCPKF-UHFFFAOYSA-N -1 0 312.329 1.554 50 0 DDAARM CC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)CC1 ZINC000095366263 407210324 /nfs/dbraw/zinc/21/03/24/407210324.db2.gz OPQXNINHOXHTIT-ZDUSSCGKSA-N -1 0 314.744 1.769 50 0 DDAARM COc1ccc(Br)cc1[C@H](NC(N)=O)C(=O)[O-] ZINC000096102791 407236895 /nfs/dbraw/zinc/23/68/95/407236895.db2.gz HDBGEKSXHBGQNQ-QMMMGPOBSA-N -1 0 303.112 1.252 50 0 DDAARM O=C([O-])[C@@]12CN(C(=O)C3CCC3)C[C@@H]1c1ccccc1OC2 ZINC000096151141 407240399 /nfs/dbraw/zinc/24/03/99/407240399.db2.gz ISQXHPMJWACYAA-CXAGYDPISA-N -1 0 301.342 1.876 50 0 DDAARM O=C(CS(=O)(=O)c1ncc[n-]1)NCCCC1CCCCC1 ZINC000096475672 407270730 /nfs/dbraw/zinc/27/07/30/407270730.db2.gz SRRUWCJXSFYVNY-UHFFFAOYSA-N -1 0 313.423 1.660 50 0 DDAARM Cc1cc(C)c(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)c(C)c1 ZINC000124716896 407367245 /nfs/dbraw/zinc/36/72/45/407367245.db2.gz FLIRNXKKGVITRI-ZDUSSCGKSA-N -1 0 301.394 1.930 50 0 DDAARM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1[nH]cnc1C(=O)[O-] ZINC000215409987 407485004 /nfs/dbraw/zinc/48/50/04/407485004.db2.gz ITFQCPOBRUFVND-VIFPVBQESA-N -1 0 305.338 1.149 50 0 DDAARM Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNCC(=O)[O-] ZINC000230240032 407684109 /nfs/dbraw/zinc/68/41/09/407684109.db2.gz MNTMOGLRFMOLFZ-WSVATBPTSA-N -1 0 308.297 1.877 50 0 DDAARM CC(C)N(CC(=O)[O-])C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000236719080 407760346 /nfs/dbraw/zinc/76/03/46/407760346.db2.gz CPAOCXSFYNSONS-UHFFFAOYSA-N -1 0 318.373 1.744 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000236719734 407761040 /nfs/dbraw/zinc/76/10/40/407761040.db2.gz KHTGCKVQPLTRJE-UONOGXRCSA-N -1 0 304.346 1.187 50 0 DDAARM CC(=O)Nc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1F ZINC000236762551 407769823 /nfs/dbraw/zinc/76/98/23/407769823.db2.gz GKOUIRSBHLGVAK-MNOVXSKESA-N -1 0 308.309 1.767 50 0 DDAARM CCOc1ncccc1C(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000263012714 408001426 /nfs/dbraw/zinc/00/14/26/408001426.db2.gz LPYUZNVLAVUKLJ-WDEREUQCSA-N -1 0 308.334 1.185 50 0 DDAARM CN(Cc1ccc(Br)o1)C(=O)C1(C(=O)[O-])CC1 ZINC000154794822 408085865 /nfs/dbraw/zinc/08/58/65/408085865.db2.gz DACKOTGKBVPKSY-UHFFFAOYSA-N -1 0 302.124 1.865 50 0 DDAARM O=C([O-])C1(C(=O)N2CCC(C(=O)c3ccccc3)CC2)CC1 ZINC000154779624 408086949 /nfs/dbraw/zinc/08/69/49/408086949.db2.gz BBBYQYLECLJITJ-UHFFFAOYSA-N -1 0 301.342 1.973 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136536660 408108643 /nfs/dbraw/zinc/10/86/43/408108643.db2.gz UKTVBSFPENCWLS-AWEZNQCLSA-N -1 0 314.345 1.655 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000136523722 408108864 /nfs/dbraw/zinc/10/88/64/408108864.db2.gz KXCKHFKYCZQWQO-CYBMUJFWSA-N -1 0 318.308 1.486 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)Nc1cccc(CN2CCCCC2=O)c1 ZINC000263555125 408172345 /nfs/dbraw/zinc/17/23/45/408172345.db2.gz NTBXQKRPRUATSE-LLVKDONJSA-N -1 0 304.346 1.858 50 0 DDAARM C[C@H](Cc1cccc(F)c1)C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000183451507 408416799 /nfs/dbraw/zinc/41/67/99/408416799.db2.gz UETSCTBLCPHHKM-GHMZBOCLSA-N -1 0 305.357 1.780 50 0 DDAARM CC[C@@H](Cc1ccc(NS(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000184903831 408713917 /nfs/dbraw/zinc/71/39/17/408713917.db2.gz YLEMIHMCJLBJQX-NSHDSACASA-N -1 0 300.380 1.558 50 0 DDAARM Cc1cccc2[nH]c(CCC(=O)N3CC[C@@H](C(=O)[O-])C3)nc21 ZINC000178264489 408796169 /nfs/dbraw/zinc/79/61/69/408796169.db2.gz TVZKOHZPBQAMNL-LLVKDONJSA-N -1 0 301.346 1.737 50 0 DDAARM Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000178276451 408797660 /nfs/dbraw/zinc/79/76/60/408797660.db2.gz XJTVKMQOJXVWKN-JTQLQIEISA-N -1 0 304.306 1.073 50 0 DDAARM COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000252494066 408798434 /nfs/dbraw/zinc/79/84/34/408798434.db2.gz NKDAQBCGVDPDTJ-MRVPVSSYSA-N -1 0 321.782 1.903 50 0 DDAARM Cc1nn(CC(=O)[O-])c(=O)c2nc(-c3ccccc3)sc21 ZINC000169676739 408820005 /nfs/dbraw/zinc/82/00/05/408820005.db2.gz GBWIRYUVNXPSMT-UHFFFAOYSA-N -1 0 301.327 1.913 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2cnc(-c3ccsc3)s2)CCO1 ZINC000332214070 409984273 /nfs/dbraw/zinc/98/42/73/409984273.db2.gz TVSPJUDJGUGRRV-VIFPVBQESA-N -1 0 324.383 1.797 50 0 DDAARM Cc1nn(CCNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c(C)c1C ZINC000299762001 410610447 /nfs/dbraw/zinc/61/04/47/410610447.db2.gz CTWHXKLYCLEHGP-UHFFFAOYSA-N -1 0 318.377 1.882 50 0 DDAARM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000129327402 196039824 /nfs/dbraw/zinc/03/98/24/196039824.db2.gz IIBILMHDHSKCBW-UHFFFAOYSA-N -1 0 320.378 1.616 50 0 DDAARM O=C(NCC(F)(F)F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047933204 418462508 /nfs/dbraw/zinc/46/25/08/418462508.db2.gz IJDIPPAMWUVPQU-UHFFFAOYSA-N -1 0 303.265 1.504 50 0 DDAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000069585831 418488305 /nfs/dbraw/zinc/48/83/05/418488305.db2.gz SFPNLLRMVJPHTN-UHFFFAOYSA-N -1 0 320.370 2.352 50 0 DDAARM Cc1ocnc1C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000109414662 418500263 /nfs/dbraw/zinc/50/02/63/418500263.db2.gz CTOIDQNGUAKFTG-UHFFFAOYSA-N -1 0 317.326 1.650 50 0 DDAARM COc1ccc(S(=O)(=O)[N-]C(=O)c2ncoc2C)c(C)c1C ZINC000117540099 418502305 /nfs/dbraw/zinc/50/23/05/418502305.db2.gz MCMIJTACYPDDLD-UHFFFAOYSA-N -1 0 324.358 1.727 50 0 DDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@@H]21 ZINC000426370534 419450319 /nfs/dbraw/zinc/45/03/19/419450319.db2.gz RGIMDYCXJSXNGH-ITGUQSILSA-N -1 0 303.362 1.860 50 0 DDAARM Cn1cc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000492349988 420531634 /nfs/dbraw/zinc/53/16/34/420531634.db2.gz PIZILNLLKXQQSP-IDTUSYRASA-N -1 0 314.341 1.504 50 0 DDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(c1ncccc1F)CC2 ZINC000095374388 289838129 /nfs/dbraw/zinc/83/81/29/289838129.db2.gz OKDNCYHENMKCAC-SNVBAGLBSA-N -1 0 307.325 1.123 50 0 DDAARM C[C@@H]1CN(c2ccnc(C(=O)[O-])c2)CC[C@@]1(O)C1CCOCC1 ZINC000092066250 297082422 /nfs/dbraw/zinc/08/24/22/297082422.db2.gz GKYVRDYVLXWCSF-PXAZEXFGSA-N -1 0 320.389 1.784 50 0 DDAARM COc1ccc(C(F)(F)F)cc1-n1c(=O)cc([O-])[nH]c1=O ZINC000017044300 295102377 /nfs/dbraw/zinc/10/23/77/295102377.db2.gz JLAYQSJMTFYGJX-UHFFFAOYSA-N -1 0 302.208 1.891 50 0 DDAARM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2nccn2C)c1OC ZINC000095379641 295312149 /nfs/dbraw/zinc/31/21/49/295312149.db2.gz RTTAMMVMLIZVLN-AWEZNQCLSA-N -1 0 319.361 1.695 50 0 DDAARM COc1ccccc1N1CC[C@@H](N2CCCC[C@H]2C(=O)[O-])C1=O ZINC000262249298 295368750 /nfs/dbraw/zinc/36/87/50/295368750.db2.gz CYOXPFZAHWDMKY-KGLIPLIRSA-N -1 0 318.373 1.740 50 0 DDAARM O=C(c1cccc(F)c1[O-])N1CCCC[C@@H]1CN1CCOCC1 ZINC000220549694 304548309 /nfs/dbraw/zinc/54/83/09/304548309.db2.gz KXQVPZFKEGWXJR-CYBMUJFWSA-N -1 0 322.380 1.858 50 0 DDAARM Cc1cc2c(cc1C)O[C@H](C(=O)N[C@](C)(C(=O)[O-])C1CC1)C2 ZINC000237897074 301441888 /nfs/dbraw/zinc/44/18/88/301441888.db2.gz HZDUSNWGBBDWMC-YOEHRIQHSA-N -1 0 303.358 1.976 50 0 DDAARM Cc1nc2ccc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2nc1C ZINC000532256022 303280407 /nfs/dbraw/zinc/28/04/07/303280407.db2.gz GDMCTFDOMDXZHR-CQSZACIVSA-N -1 0 315.329 1.172 50 0 DDAARM NC(=O)[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000237929213 303328699 /nfs/dbraw/zinc/32/86/99/303328699.db2.gz PUGYLNCNYKCJKG-ZDUSSCGKSA-N -1 0 304.346 1.041 50 0 DDAARM Cc1c[nH]c([C@H](C)NC(=O)c2cnc3cc(=O)[nH]n3c2C)n1 ZINC000534638569 334310254 /nfs/dbraw/zinc/31/02/54/334310254.db2.gz ISVGFQPRKISQEA-QMMMGPOBSA-N -1 0 300.322 1.266 50 0 DDAARM COc1ccc(-c2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)o2)cc1 ZINC000670445986 484833905 /nfs/dbraw/zinc/83/39/05/484833905.db2.gz MGCMAOFNDABIKG-UHFFFAOYSA-N -1 0 314.301 1.709 50 0 DDAARM C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000668282178 485075188 /nfs/dbraw/zinc/07/51/88/485075188.db2.gz MHHJYDGZSXPJDJ-IUODEOHRSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(OC3CCCC3)cc2)CCO1 ZINC000299751068 534538750 /nfs/dbraw/zinc/53/87/50/534538750.db2.gz PJYORFABHPHBFH-OAHLLOKOSA-N -1 0 319.357 1.934 50 0 DDAARM CC[C@H](Oc1ccccc1F)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299749991 529167247 /nfs/dbraw/zinc/16/72/47/529167247.db2.gz MHBMHGLKNLUPHA-WCQYABFASA-N -1 0 311.309 1.295 50 0 DDAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1Cn1cccn1 ZINC000020606343 696070867 /nfs/dbraw/zinc/07/08/67/696070867.db2.gz AIOBZKASUSSCOZ-OCCSQVGLSA-N -1 0 319.386 1.728 50 0 DDAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)CCc1cccnc1)C2 ZINC000067955887 696365557 /nfs/dbraw/zinc/36/55/57/696365557.db2.gz LRQBYZXMESNZSN-UHFFFAOYSA-N -1 0 314.345 1.031 50 0 DDAARM C[C@@H](NC(=O)c1n[n-]c2ccccc2c1=O)C1CCOCC1 ZINC000124119391 696739469 /nfs/dbraw/zinc/73/94/69/696739469.db2.gz MFNCKNUIDYVPGF-SNVBAGLBSA-N -1 0 301.346 1.468 50 0 DDAARM Cc1cccc(OC[C@H](O)CNC(=O)c2cc(C(=O)[O-])co2)c1 ZINC000262371007 698466629 /nfs/dbraw/zinc/46/66/29/698466629.db2.gz LRNFHILPOMVNQQ-GFCCVEGCSA-N -1 0 319.313 1.456 50 0 DDAARM COc1cccc(C)c1C(=O)N[C@H](C)c1n[nH]c(CC(=O)[O-])n1 ZINC000952967422 721528982 /nfs/dbraw/zinc/52/89/82/721528982.db2.gz LKTNLJNYOMVCGL-SECBINFHSA-N -1 0 318.333 1.240 50 0 DDAARM O=C([O-])c1cn2c(n1)[C@@H](c1ccccc1)N(CCCO)CC2 ZINC000675016550 737519782 /nfs/dbraw/zinc/51/97/82/737519782.db2.gz XXJOJRHQUKONMN-CQSZACIVSA-N -1 0 301.346 1.369 50 0 DDAARM O=C([O-])c1cn2c(n1)[C@H](c1ccccc1)N(CCCO)CC2 ZINC000675016547 737519844 /nfs/dbraw/zinc/51/98/44/737519844.db2.gz XXJOJRHQUKONMN-AWEZNQCLSA-N -1 0 301.346 1.369 50 0 DDAARM O=C(Nc1cncc(F)c1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000585138254 771966776 /nfs/dbraw/zinc/96/67/76/771966776.db2.gz YWIYQHMTPSIARQ-SNVBAGLBSA-N -1 0 306.301 1.804 50 0 DDAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc2c1OCCO2 ZINC000315095348 539294986 /nfs/dbraw/zinc/29/49/86/539294986.db2.gz MXZKIQSEWVGXIB-LLVKDONJSA-N -1 0 305.330 1.927 50 0 DDAARM COCCOCc1cc(C(=O)NCCCC(=O)[O-])ccc1F ZINC000095424159 185361521 /nfs/dbraw/zinc/36/15/21/185361521.db2.gz FITASWVDVQCVSB-UHFFFAOYSA-N -1 0 313.325 1.583 50 0 DDAARM CC(C)C[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCC1)C(=O)[O-] ZINC000095427716 185362151 /nfs/dbraw/zinc/36/21/51/185362151.db2.gz VSLDQOCMMMXIOP-AAEUAGOBSA-N -1 0 312.410 1.687 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000491846373 529879219 /nfs/dbraw/zinc/87/92/19/529879219.db2.gz PRPPVXCUGXMALG-ALCCZGGFSA-N -1 0 305.330 1.794 50 0 DDAARM Cn1c2ccc(NC(=O)CC(C)(C)C(=O)[O-])cc2n(C)c1=O ZINC000169987593 197763937 /nfs/dbraw/zinc/76/39/37/197763937.db2.gz ICRJRHLZKXQJMF-UHFFFAOYSA-N -1 0 305.334 1.316 50 0 DDAARM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)C(C)(F)F ZINC000263042045 299130624 /nfs/dbraw/zinc/13/06/24/299130624.db2.gz LZJMDXYEGXECDE-RRKCRQDMSA-N -1 0 318.242 1.935 50 0 DDAARM Cc1ccccc1C(=O)NCCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000072291170 191109086 /nfs/dbraw/zinc/10/90/86/191109086.db2.gz HXSRLLAXPNCDGH-UHFFFAOYSA-N -1 0 318.373 1.438 50 0 DDAARM O=C([O-])[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc2c(c1)CCO2 ZINC000262864058 186315610 /nfs/dbraw/zinc/31/56/10/186315610.db2.gz APIMTKPCQMSLCY-TZMCWYRMSA-N -1 0 305.330 1.290 50 0 DDAARM COc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000002028046 352110785 /nfs/dbraw/zinc/11/07/85/352110785.db2.gz ROLKPLJIYRQHNY-LMOYCYGVSA-N -1 0 301.298 1.066 50 0 biogenic DDAARM CCOC(=O)C1CN(CCC(=O)[O-])C(=O)C1=Nc1ccccc1 ZINC000004638552 352112407 /nfs/dbraw/zinc/11/24/07/352112407.db2.gz WMAYUGDDIFEKEX-UHFFFAOYSA-N -1 0 318.329 1.233 50 0 DDAARM O=C([O-])[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)CCO1 ZINC000072428732 191162085 /nfs/dbraw/zinc/16/20/85/191162085.db2.gz CZZGBTANUPMOIH-ZDUSSCGKSA-N -1 0 305.309 1.501 50 0 DDAARM COCC(=O)N1CCC(Oc2ccccc2OC)(C(=O)[O-])CC1 ZINC000072480299 191180606 /nfs/dbraw/zinc/18/06/06/191180606.db2.gz YSRBOPXEDVSSJE-UHFFFAOYSA-N -1 0 323.345 1.166 50 0 DDAARM COc1ccccc1-c1cc(=O)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000049551269 352555714 /nfs/dbraw/zinc/55/57/14/352555714.db2.gz HFXSTGRAUBBDPP-JTQLQIEISA-N -1 0 308.359 1.212 50 0 DDAARM CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)[O-])ccc12 ZINC000000488978 180806437 /nfs/dbraw/zinc/80/64/37/180806437.db2.gz NKMWABKCXZZXSA-UHFFFAOYSA-N -1 0 319.313 1.243 50 0 biogenic DDAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000001618828 180879981 /nfs/dbraw/zinc/87/99/81/180879981.db2.gz XJVMWSBOCNRPNF-UHFFFAOYSA-N -1 0 321.354 1.975 50 0 DDAARM O=C([O-])C1(O)CCN(c2nc3ccccc3cc2CO)CC1 ZINC000072166531 353193707 /nfs/dbraw/zinc/19/37/07/353193707.db2.gz PEEOVRYNEBEXML-UHFFFAOYSA-N -1 0 302.330 1.143 50 0 DDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000001751679 180894173 /nfs/dbraw/zinc/89/41/73/180894173.db2.gz WURIPAYKVUIDHJ-LLVKDONJSA-N -1 0 303.405 1.480 50 0 biogenic,in-vitro DDAARM O=C([O-])C1=NC2=N[C@H](c3cccs3)C[C@@H](C(F)(F)F)N2N1 ZINC000033837947 304036512 /nfs/dbraw/zinc/03/65/12/304036512.db2.gz SINTYOCGLUYQQO-FSPLSTOPSA-N -1 0 318.280 1.783 50 0 DDAARM O=C([O-])[C@@H]1[C@@H](C(=O)NCc2ccc(Cl)cc2)[C@H]2C=C[C@@H]1O2 ZINC000003890054 181052796 /nfs/dbraw/zinc/05/27/96/181052796.db2.gz QGKIVHLGDKAKBZ-VOAKCMCISA-N -1 0 307.733 1.610 50 0 DDAARM Cc1cccc(NC(=O)C[C@@H](C(=O)[O-])N2CCOCC2)c1C ZINC000004264022 181089155 /nfs/dbraw/zinc/08/91/55/181089155.db2.gz CQMXFRYXHMWIGK-AWEZNQCLSA-N -1 0 306.362 1.417 50 0 DDAARM C[C@@H]1C[C@H](C)CN(Cc2csc([N-]S(C)(=O)=O)n2)C1 ZINC000195568209 354297649 /nfs/dbraw/zinc/29/76/49/354297649.db2.gz QWBCHKULMRBINZ-AOOOYVTPSA-N -1 0 303.453 1.993 50 0 DDAARM Cc1ccc(C(=O)NC[C@H]2C[C@H](C(=O)[O-])C[C@H]2O)cc1Cl ZINC000585134684 354812103 /nfs/dbraw/zinc/81/21/03/354812103.db2.gz GIIBFWAENAUXES-DMDPSCGWSA-N -1 0 311.765 1.850 50 0 DDAARM C[C@@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)Cc1cccc(F)c1 ZINC000237335261 202235726 /nfs/dbraw/zinc/23/57/26/202235726.db2.gz GVRNGDLJPIBORM-RISCZKNCSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccc(F)cc1 ZINC000237763026 202348722 /nfs/dbraw/zinc/34/87/22/202348722.db2.gz ROUORDCQIKEHMO-LLVKDONJSA-N -1 0 317.320 1.867 50 0 DDAARM Cc1ccc(CN2C[C@@H](C(=O)NC3(C(=O)[O-])CC3)CC2=O)cc1 ZINC000237725706 202339553 /nfs/dbraw/zinc/33/95/53/202339553.db2.gz MYCARDQEAOWCTC-ZDUSSCGKSA-N -1 0 316.357 1.077 50 0 DDAARM C[C@]1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCc2ccccc21 ZINC000237786578 202354149 /nfs/dbraw/zinc/35/41/49/202354149.db2.gz DJVHNFNJASCDMW-KDOFPFPSSA-N -1 0 317.385 1.983 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCO[C@@H](CC(=O)[O-])C3)c[nH]c2c1 ZINC000237871300 202376285 /nfs/dbraw/zinc/37/62/85/202376285.db2.gz MUBPCSNFOIVJAL-ZDUSSCGKSA-N -1 0 316.357 1.721 50 0 DDAARM NC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000237929244 202394981 /nfs/dbraw/zinc/39/49/81/202394981.db2.gz FABIEEJNOSXCNV-LJLILKBBSA-N -1 0 302.330 1.122 50 0 DDAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CCCO1 ZINC000238146434 202445535 /nfs/dbraw/zinc/44/55/35/202445535.db2.gz ADCZNXKJJPQBDL-LBPRGKRZSA-N -1 0 313.300 1.947 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000299385877 304110231 /nfs/dbraw/zinc/11/02/31/304110231.db2.gz IHINQWNLYVQDEF-GFCCVEGCSA-N -1 0 302.330 1.508 50 0 DDAARM O=C([O-])[C@@]1(CC2CC2)CCCN(S(=O)(=O)N2CCCC2)C1 ZINC000091997285 193138393 /nfs/dbraw/zinc/13/83/93/193138393.db2.gz WZGQPDBVCTZJLX-CQSZACIVSA-N -1 0 316.423 1.294 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000262436223 203294579 /nfs/dbraw/zinc/29/45/79/203294579.db2.gz TTXJPPIGSTWIBU-AXFHLTTASA-N -1 0 318.156 1.864 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COC[C@@H]1CCCO1 ZINC000299749592 304151851 /nfs/dbraw/zinc/15/18/51/304151851.db2.gz KXUYCBFKGCFZMK-GJZGRUSLSA-N -1 0 319.357 1.220 50 0 DDAARM COc1ccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)cc1 ZINC000018154044 182095012 /nfs/dbraw/zinc/09/50/12/182095012.db2.gz BFQIPFQNWDJIGY-UHFFFAOYSA-N -1 0 307.331 1.215 50 0 DDAARM O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 ZINC000020200922 182197027 /nfs/dbraw/zinc/19/70/27/182197027.db2.gz NYEDKMDIAZXUII-GFCCVEGCSA-N -1 0 308.378 1.101 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2F)c[nH]1 ZINC000021055340 182264313 /nfs/dbraw/zinc/26/43/13/182264313.db2.gz FBZBDDHWMNIVFN-UHFFFAOYSA-N -1 0 302.258 1.792 50 0 DDAARM Cn1nccc1/C=C/c1nc2ccccc2c(=O)n1CCC(=O)[O-] ZINC000029736900 182575836 /nfs/dbraw/zinc/57/58/36/182575836.db2.gz VTWVGLPRCUQDSM-VOTSOKGWSA-N -1 0 324.340 1.775 50 0 DDAARM O=C([O-])COc1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000100624543 193802106 /nfs/dbraw/zinc/80/21/06/193802106.db2.gz DDHSTVKWHMSVBT-BETUJISGSA-N -1 0 301.298 1.606 50 0 DDAARM COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CCCC2 ZINC000100857419 193805197 /nfs/dbraw/zinc/80/51/97/193805197.db2.gz PHSWQJBAHRHEHZ-SREVYHEPSA-N -1 0 309.343 1.993 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2F)c[nH]1 ZINC000040230307 183047868 /nfs/dbraw/zinc/04/78/68/183047868.db2.gz SHPOFMCOZTYSOB-UHFFFAOYSA-N -1 0 302.258 1.792 50 0 DDAARM Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000041670296 183214323 /nfs/dbraw/zinc/21/43/23/183214323.db2.gz FFABVXOHEISGEN-UHFFFAOYSA-N -1 0 300.314 1.802 50 0 DDAARM COc1ccccc1CCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043509912 183368865 /nfs/dbraw/zinc/36/88/65/183368865.db2.gz GHDREBWZKVOSEM-HNNXBMFYSA-N -1 0 309.387 1.704 50 0 DDAARM C[C@H](Oc1ccccc1Cl)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043702073 183381938 /nfs/dbraw/zinc/38/19/38/183381938.db2.gz AEVIBVZTBKJREX-JOYOIKCWSA-N -1 0 313.737 1.419 50 0 DDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4cccc(Cl)c4)C(=O)[C@@H]13)O2 ZINC000004454616 304211983 /nfs/dbraw/zinc/21/19/83/304211983.db2.gz FYMDPHPYLXMCGD-NWJSVONSSA-N -1 0 305.717 1.711 50 0 DDAARM CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268880388 207051152 /nfs/dbraw/zinc/05/11/52/207051152.db2.gz CUJMLPADMOAOQV-JMSVASOKSA-N -1 0 319.357 1.992 50 0 DDAARM O=C([O-])CCCCNC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000268912544 207079880 /nfs/dbraw/zinc/07/98/80/207079880.db2.gz ZYVZFLKGZQWQCX-UHFFFAOYSA-N -1 0 323.324 1.340 50 0 DDAARM COCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268915609 207082226 /nfs/dbraw/zinc/08/22/26/207082226.db2.gz POHNSZQKJXUCNI-NWDGAFQWSA-N -1 0 321.329 1.111 50 0 DDAARM Cc1nnnn1-c1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000061721799 184185877 /nfs/dbraw/zinc/18/58/77/184185877.db2.gz HPMSOGMTZQIJAR-VXGBXAGGSA-N -1 0 315.333 1.266 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1COC1CCOCC1 ZINC000269086105 207230207 /nfs/dbraw/zinc/23/02/07/207230207.db2.gz MOPFWZPSLCZEFL-GFCCVEGCSA-N -1 0 321.373 1.927 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cncc(Br)c2)C1 ZINC000062913098 184259296 /nfs/dbraw/zinc/25/92/96/184259296.db2.gz GQNAFRRPYREZKC-GFCCVEGCSA-N -1 0 313.151 1.781 50 0 DDAARM Cc1c(NC(=O)Cc2nnn[n-]2)cccc1C(=O)NC(C)(C)C ZINC000065463336 184349513 /nfs/dbraw/zinc/34/95/13/184349513.db2.gz PVXVFUUCCJSWQK-UHFFFAOYSA-N -1 0 316.365 1.218 50 0 DDAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000118987825 194950387 /nfs/dbraw/zinc/95/03/87/194950387.db2.gz ODQOQCRBTLERRO-QMMMGPOBSA-N -1 0 319.292 1.918 50 0 DDAARM COc1ccc(C)cc1/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000328589234 533375333 /nfs/dbraw/zinc/37/53/33/533375333.db2.gz SNZPVJJJUIAZJY-BPJJOFIESA-N -1 0 305.330 1.329 50 0 DDAARM CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000236874938 286275672 /nfs/dbraw/zinc/27/56/72/286275672.db2.gz GBXMMAXSMCCOGQ-CHWSQXEVSA-N -1 0 304.346 1.857 50 0 DDAARM O=C([O-])[C@]1(CCC(=O)NCc2ccccc2)CCC(=O)NC1 ZINC000000053601 406617468 /nfs/dbraw/zinc/61/74/68/406617468.db2.gz KFUNZJUZXYJCRY-MRXNPFEDSA-N -1 0 304.346 1.064 50 0 DDAARM O=C([O-])CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000000258451 406636544 /nfs/dbraw/zinc/63/65/44/406636544.db2.gz CAZJUADETXHVJK-UHFFFAOYSA-N -1 0 308.153 1.202 50 0 DDAARM O=C([O-])CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000000479981 406649985 /nfs/dbraw/zinc/64/99/85/406649985.db2.gz AGOOJTUDNDWVFB-UHFFFAOYSA-N -1 0 322.324 1.749 50 0 DDAARM Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)[O-])c1=O ZINC000002133074 406683605 /nfs/dbraw/zinc/68/36/05/406683605.db2.gz ZNXKQDPGHAYKBF-HNNXBMFYSA-N -1 0 324.336 1.569 50 0 biogenic DDAARM CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000006848136 406742479 /nfs/dbraw/zinc/74/24/79/406742479.db2.gz ADUOAIBOPUWDDZ-VIFPVBQESA-N -1 0 301.364 1.860 50 0 DDAARM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cccs1)C2=O ZINC000008342650 406786292 /nfs/dbraw/zinc/78/62/92/406786292.db2.gz ZMKAPKNOZUAWPI-UHFFFAOYSA-N -1 0 307.375 1.894 50 0 DDAARM Cc1nc(N)sc1C(=O)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000008575824 406791006 /nfs/dbraw/zinc/79/10/06/406791006.db2.gz IMEMVIFLFSVDKJ-UHFFFAOYSA-N -1 0 304.331 1.496 50 0 DDAARM COc1cc(C(=O)N2CCN(CCC(=O)[O-])CC2)ccc1C ZINC000071851811 406853141 /nfs/dbraw/zinc/85/31/41/406853141.db2.gz KVKBLMVTUNCIFY-UHFFFAOYSA-N -1 0 306.362 1.236 50 0 DDAARM COCCNC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1Cl ZINC000013315862 406861426 /nfs/dbraw/zinc/86/14/26/406861426.db2.gz WGWLPKKOXZFKCD-QMMMGPOBSA-N -1 0 301.726 1.568 50 0 DDAARM O=c1nc(CSc2ncnc3[nH]cnc32)[n-]c2ccsc21 ZINC000071905437 406864829 /nfs/dbraw/zinc/86/48/29/406864829.db2.gz WTVKQTTWFKEIRK-UHFFFAOYSA-N -1 0 316.371 1.943 50 0 DDAARM O=C([O-])CN1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000035680301 406974806 /nfs/dbraw/zinc/97/48/06/406974806.db2.gz UFZZSUFDFREYSL-UHFFFAOYSA-N -1 0 317.172 1.836 50 0 DDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC[C@H]1CCCO1 ZINC000032315700 406946684 /nfs/dbraw/zinc/94/66/84/406946684.db2.gz FLZQAHOFNBANKE-SNVBAGLBSA-N -1 0 321.402 1.902 50 0 DDAARM COc1ccc2[nH]c3c(c2c1)CN(C(=O)CCC(=O)[O-])CC3 ZINC000032500176 406949150 /nfs/dbraw/zinc/94/91/50/406949150.db2.gz UJKTYLCKZMZWBM-UHFFFAOYSA-N -1 0 302.330 1.926 50 0 DDAARM Cc1nccc(CNC(=O)c2nn(-c3ccccc3)cc2[O-])n1 ZINC000076082810 406953930 /nfs/dbraw/zinc/95/39/30/406953930.db2.gz AYZOFFWLYDUNHO-UHFFFAOYSA-N -1 0 309.329 1.606 50 0 DDAARM CCn1cc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-] ZINC000036863842 406984398 /nfs/dbraw/zinc/98/43/98/406984398.db2.gz WGYMTURYZOHSCB-UHFFFAOYSA-N -1 0 300.380 1.817 50 0 DDAARM Cc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037376997 406988446 /nfs/dbraw/zinc/98/84/46/406988446.db2.gz BAIJOJWBDARVOD-JTQLQIEISA-N -1 0 301.339 1.619 50 0 DDAARM C[C@H]1S[C@@]2([N-]c3ncnn3C1=O)C(=O)Nc1ccccc12 ZINC000038538203 407000948 /nfs/dbraw/zinc/00/09/48/407000948.db2.gz CTXZEQMRYMJXEH-FUXBKTLASA-N -1 0 301.331 1.271 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC000055358493 407201496 /nfs/dbraw/zinc/20/14/96/407201496.db2.gz DYFJUWCTLDAMHS-LBPRGKRZSA-N -1 0 322.336 1.269 50 0 DDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2nccn2C)c(C)c1 ZINC000095354864 407208214 /nfs/dbraw/zinc/20/82/14/407208214.db2.gz LUKSFYSJJQHDPN-OAHLLOKOSA-N -1 0 303.362 1.995 50 0 DDAARM CCOC(=O)[C@H](C)OCCNC(=O)c1ccccc1C(=O)[O-] ZINC000096029646 407224532 /nfs/dbraw/zinc/22/45/32/407224532.db2.gz JUGIRZWQNKYYCG-JTQLQIEISA-N -1 0 309.318 1.083 50 0 DDAARM COC(=O)N1CCN(Cc2ccccc2OCC(=O)[O-])CC1 ZINC000215762375 407490003 /nfs/dbraw/zinc/49/00/03/407490003.db2.gz HVOSXAIQZDMMRZ-UHFFFAOYSA-N -1 0 308.334 1.034 50 0 DDAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000236601468 407732497 /nfs/dbraw/zinc/73/24/97/407732497.db2.gz CMHIFPVWGVANIK-AWEZNQCLSA-N -1 0 316.357 1.478 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2cc(Cl)ccc2Cl)CCO1 ZINC000237965925 407856316 /nfs/dbraw/zinc/85/63/16/407856316.db2.gz KXTZVXUGMIVJBW-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(-n2ccnn2)c1 ZINC000238046607 407877682 /nfs/dbraw/zinc/87/76/82/407877682.db2.gz KKJJITWWKKLWBI-ZDUSSCGKSA-N -1 0 300.318 1.347 50 0 DDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cnn2cccnc12 ZINC000262827118 407951190 /nfs/dbraw/zinc/95/11/90/407951190.db2.gz BZJOGTKNOKQMHX-UMNHJUIQSA-N -1 0 300.318 1.055 50 0 DDAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000263005740 407998681 /nfs/dbraw/zinc/99/86/81/407998681.db2.gz QLDGAEIGHUYDRL-QPUJVOFHSA-N -1 0 315.272 1.044 50 0 DDAARM O=C(CC1CCCCC1)NCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136125829 408080910 /nfs/dbraw/zinc/08/09/10/408080910.db2.gz XWDBVSNWORLERH-CYBMUJFWSA-N -1 0 310.394 1.396 50 0 DDAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)C1 ZINC000263360966 408119847 /nfs/dbraw/zinc/11/98/47/408119847.db2.gz UDYFVSIHYQFTRN-CJNGLKHVSA-N -1 0 307.321 1.829 50 0 DDAARM CC[C@H](NC(=O)c1ccn(-c2ccc(F)cc2C)n1)C(=O)[O-] ZINC000190910026 408341266 /nfs/dbraw/zinc/34/12/66/408341266.db2.gz KFVFOLLSPHLORD-NSHDSACASA-N -1 0 305.309 1.913 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cnn(CC)c2)(C(=O)[O-])C1(C)C ZINC000193036181 408687345 /nfs/dbraw/zinc/68/73/45/408687345.db2.gz QUZRRABKQMEANI-IAQYHMDHSA-N -1 0 309.366 1.291 50 0 DDAARM Cc1nc(-c2ccccc2)oc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000178280091 408798953 /nfs/dbraw/zinc/79/89/53/408798953.db2.gz MIQYZCICBRPYOB-LBPRGKRZSA-N -1 0 316.313 1.576 50 0 DDAARM CC(C)C[C@@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)C(=O)[O-] ZINC000178289839 408799775 /nfs/dbraw/zinc/79/97/75/408799775.db2.gz PBAVWMHCEPOUQA-DJLDLDEBSA-N -1 0 324.299 1.059 50 0 DDAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000330032697 410524411 /nfs/dbraw/zinc/52/44/11/410524411.db2.gz RCRZBODAKYFRJG-UHFFFAOYSA-N -1 0 313.360 1.516 50 0 DDAARM CC(C)c1nc(CCNC(=O)c2[nH]cnc2C(=O)[O-])cs1 ZINC000299771520 410618541 /nfs/dbraw/zinc/61/85/41/410618541.db2.gz QDVYHSZMPSMSDF-UHFFFAOYSA-N -1 0 308.363 1.660 50 0 DDAARM O=C(c1cc(=O)[n-]o1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000299795108 410634151 /nfs/dbraw/zinc/63/41/51/410634151.db2.gz LUHDGZGUZACWJB-CQSZACIVSA-N -1 0 316.357 1.836 50 0 DDAARM CCn1nc(C)c([C@@H](C)NC(=O)c2[nH]cnc2C(=O)[O-])c1C ZINC000299796425 410634269 /nfs/dbraw/zinc/63/42/69/410634269.db2.gz NEZKXKJIRKHZON-SSDOTTSWSA-N -1 0 305.338 1.432 50 0 DDAARM CCc1cc(C(=O)[N-]S(=O)(=O)c2cnccn2)oc1CC ZINC000129552053 196057005 /nfs/dbraw/zinc/05/70/05/196057005.db2.gz NRXLPQBGWGCHGV-UHFFFAOYSA-N -1 0 309.347 1.313 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2(Nc3ccccc3)CCCC2)CCO1 ZINC000426730327 419539316 /nfs/dbraw/zinc/53/93/16/419539316.db2.gz GEOHYBCLUZFAQA-AWEZNQCLSA-N -1 0 318.373 1.723 50 0 DDAARM CSCC[C@@H](NC(=O)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000426550715 419507342 /nfs/dbraw/zinc/50/73/42/419507342.db2.gz ZNGMNKLSRUPLRZ-GFCCVEGCSA-N -1 0 309.387 1.948 50 0 DDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)N(CCO)Cc1cccs1 ZINC000426581003 419509222 /nfs/dbraw/zinc/50/92/22/419509222.db2.gz RBQSZENJRMEDLB-LBPRGKRZSA-N -1 0 314.407 1.751 50 0 DDAARM C[C@](NC(=O)c1ccc2c(c1)OCCCO2)(C(=O)[O-])C1CC1 ZINC000299744556 229385576 /nfs/dbraw/zinc/38/55/76/229385576.db2.gz SVGCPUPYMQILOJ-MRXNPFEDSA-N -1 0 305.330 1.831 50 0 DDAARM Cc1ccc(-n2[n-]c(C(=O)N[C@@H]3C[C@@H]3C(F)F)cc2=O)cc1 ZINC000345807076 272339912 /nfs/dbraw/zinc/33/99/12/272339912.db2.gz PMPUDLQQINKSMM-WDEREUQCSA-N -1 0 307.300 1.857 50 0 DDAARM CC(C)=CCC[C@@H](C)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004027371 278660973 /nfs/dbraw/zinc/66/09/73/278660973.db2.gz AYRGGDSIYYYSRA-GODIYZJISA-N -1 0 305.374 1.988 50 0 biogenic DDAARM CC(C)n1c2sc3c(c2c(=O)n(CC(=O)[O-])c1=O)CCC3 ZINC000006760825 280762516 /nfs/dbraw/zinc/76/25/16/280762516.db2.gz YEPCOGWBFXRVIH-UHFFFAOYSA-N -1 0 308.359 1.379 50 0 DDAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c(OC)c1OC ZINC000062715982 295252273 /nfs/dbraw/zinc/25/22/73/295252273.db2.gz NGSHHQFBVBUOOQ-CABZTGNLSA-N -1 0 309.318 1.316 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000263541222 298199350 /nfs/dbraw/zinc/19/93/50/298199350.db2.gz CWMLIAKWGZIBLB-KWQFWETISA-N -1 0 310.737 1.060 50 0 DDAARM Cn1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000265264212 302908172 /nfs/dbraw/zinc/90/81/72/302908172.db2.gz BGBSWOTVLNCJIK-UHTWSYAYSA-N -1 0 304.346 1.243 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cc3ccccc3o2)CCO1 ZINC000299749397 534525105 /nfs/dbraw/zinc/52/51/05/534525105.db2.gz KESKWJRAZUFSQC-AWEZNQCLSA-N -1 0 303.314 1.677 50 0 DDAARM Cc1cccc([C@H](CC(=O)N2CC[C@@H](C(=O)[O-])C2)NC(N)=O)c1 ZINC000299743345 534761996 /nfs/dbraw/zinc/76/19/96/534761996.db2.gz NHLVGAPOEUNQTM-OLZOCXBDSA-N -1 0 319.361 1.028 50 0 DDAARM CCOc1ccccc1CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299740592 528714536 /nfs/dbraw/zinc/71/45/36/528714536.db2.gz AIOOKSCNSDFILR-AWEZNQCLSA-N -1 0 321.373 1.720 50 0 DDAARM O=S(=O)([N-]c1cnn(C[C@@H]2CCCCO2)c1)c1cccnc1 ZINC000390826931 563930710 /nfs/dbraw/zinc/93/07/10/563930710.db2.gz CRUWADLKNUTNRN-ZDUSSCGKSA-N -1 0 322.390 1.648 50 0 DDAARM Cc1ccnc(N2CCC[C@@H](Cn3cc(C(=O)[O-])nn3)C2)c1 ZINC000067473433 696361507 /nfs/dbraw/zinc/36/15/07/696361507.db2.gz AZFGWWVFTZOOTF-GFCCVEGCSA-N -1 0 301.350 1.596 50 0 DDAARM Cc1nccn1CCC1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000095373219 696602779 /nfs/dbraw/zinc/60/27/79/696602779.db2.gz JGFHCPPFFWPGBG-UHFFFAOYSA-N -1 0 315.377 1.986 50 0 DDAARM COC(=O)c1cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)on1 ZINC000864095865 706066357 /nfs/dbraw/zinc/06/63/57/706066357.db2.gz JCYLYEDXUOLHPR-CYBMUJFWSA-N -1 0 316.313 1.645 50 0 DDAARM CCOc1ccc(-n2cnnc2)cc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000199317396 741077907 /nfs/dbraw/zinc/07/79/07/741077907.db2.gz HHGJXATUZQGHLJ-JTQLQIEISA-N -1 0 316.317 1.104 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@H](C(=O)[O-])C1)CCc1ccccc1 ZINC000584908060 771884282 /nfs/dbraw/zinc/88/42/82/771884282.db2.gz UKKOPQWQLLOYMC-FQNOHDAGSA-N -1 0 303.358 1.878 50 0 DDAARM Cc1ccn2cnnc2c1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000585128701 771960761 /nfs/dbraw/zinc/96/07/61/771960761.db2.gz LDYRZSUUYCCGOT-UHFFFAOYSA-N -1 0 320.378 1.616 50 0 DDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000095470250 185372544 /nfs/dbraw/zinc/37/25/44/185372544.db2.gz IQTFOIAOIHFREO-UHFFFAOYSA-N -1 0 312.325 1.674 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1cccnc1N1CCCC1)C(=O)[O-] ZINC000236595747 201930917 /nfs/dbraw/zinc/93/09/17/201930917.db2.gz YXACTAYHUFLZGE-CYBMUJFWSA-N -1 0 305.378 1.911 50 0 DDAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000318932144 290817157 /nfs/dbraw/zinc/81/71/57/290817157.db2.gz PBIBWEIWFVTZLV-GWCFXTLKSA-N -1 0 305.330 1.586 50 0 DDAARM O=C([O-])C1(NC(=O)c2ccc(-n3cccn3)nc2)CCCCC1 ZINC000072276984 191099032 /nfs/dbraw/zinc/09/90/32/191099032.db2.gz FNVVZLPXCUFWOR-UHFFFAOYSA-N -1 0 314.345 1.785 50 0 DDAARM CCOC(=O)CN(c1ccc(C)cc1)[C@H]1SC(=O)[N-]C1=O ZINC000001317738 352110201 /nfs/dbraw/zinc/11/02/01/352110201.db2.gz HKEHBAIPQORJFJ-ZDUSSCGKSA-N -1 0 308.359 1.674 50 0 DDAARM COc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc(OC)c1OC ZINC000000073946 180684687 /nfs/dbraw/zinc/68/46/87/180684687.db2.gz QTUHHHIOMGXNRY-LBPRGKRZSA-N -1 0 311.334 1.551 50 0 biogenic,in-vitro DDAARM COc1ccc(Cn2c(=O)c3nccnc3[nH]c2=S)cc1 ZINC000020131663 352169857 /nfs/dbraw/zinc/16/98/57/352169857.db2.gz IWZZGMBKMVRTDS-UHFFFAOYSA-N -1 0 300.343 1.532 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)NCc2ccco2)CC1 ZINC000072430114 191163663 /nfs/dbraw/zinc/16/36/63/191163663.db2.gz ICPWUUCBPOTDNI-UHFFFAOYSA-N -1 0 318.333 1.262 50 0 DDAARM O=C([O-])c1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nncn12 ZINC000038874696 352298955 /nfs/dbraw/zinc/29/89/55/352298955.db2.gz PGDYVQYRWBTPKF-UHFFFAOYSA-N -1 0 320.308 1.791 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000072456679 191173477 /nfs/dbraw/zinc/17/34/77/191173477.db2.gz AQCIWMPYRNITQZ-UHFFFAOYSA-N -1 0 312.333 1.235 50 0 DDAARM CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000002090579 180910256 /nfs/dbraw/zinc/91/02/56/180910256.db2.gz SNXZEOKEUUSIKS-UHFFFAOYSA-N -1 0 304.346 1.691 50 0 biogenic DDAARM C[C@@H](c1ccccc1)N1C[C@H](C(=O)N(C)CCC(=O)[O-])CC1=O ZINC000096595572 353915459 /nfs/dbraw/zinc/91/54/59/353915459.db2.gz IYHIUUSHYJZJMG-GXTWGEPZSA-N -1 0 318.373 1.529 50 0 DDAARM COc1cccc(/C=C2\SC(=N)NC2=O)c1OCC(=O)[O-] ZINC000004349489 181100928 /nfs/dbraw/zinc/10/09/28/181100928.db2.gz VSHDFRFLIIEABM-UITAMQMPSA-N -1 0 308.315 1.297 50 0 DDAARM CCn1nc(C(C)C)cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237173690 202174889 /nfs/dbraw/zinc/17/48/89/202174889.db2.gz KMKUFCPYTCDKHG-NSHDSACASA-N -1 0 309.366 1.342 50 0 DDAARM COc1cc(C(=O)N2CC[NH+]([C@@H](C)C(=O)[O-])CC2)ccc1C ZINC000237241497 202202367 /nfs/dbraw/zinc/20/23/67/202202367.db2.gz XKCBGKDTSXVECL-LBPRGKRZSA-N -1 0 306.362 1.235 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cs2)cn1 ZINC000237715304 202336718 /nfs/dbraw/zinc/33/67/18/202336718.db2.gz CIFMNFMUARZRJI-LLVKDONJSA-N -1 0 320.374 1.623 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000237722162 202337733 /nfs/dbraw/zinc/33/77/33/202337733.db2.gz WQYOQYQNHVGZBI-UHFFFAOYSA-N -1 0 317.345 1.682 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)s1 ZINC000237744295 202344596 /nfs/dbraw/zinc/34/45/96/202344596.db2.gz LYVRAEWRNRQHLT-GUBZILKMSA-N -1 0 322.386 1.705 50 0 DDAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cnn1Cc1ccccc1 ZINC000237755506 202348275 /nfs/dbraw/zinc/34/82/75/202348275.db2.gz PDCVAWBJYDAMKO-HNNXBMFYSA-N -1 0 313.357 1.929 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cn(Cc2cccs2)nn1 ZINC000238086300 202437912 /nfs/dbraw/zinc/43/79/12/202437912.db2.gz ANDMVGQMAWTXNM-LLVKDONJSA-N -1 0 306.347 1.077 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)C1 ZINC000238102430 202441256 /nfs/dbraw/zinc/44/12/56/202441256.db2.gz HHOFMLXBHZFOHM-JTQLQIEISA-N -1 0 303.293 1.558 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000190699318 200575839 /nfs/dbraw/zinc/57/58/39/200575839.db2.gz DYMVXQMRQHKNBW-UHFFFAOYSA-N -1 0 308.309 1.647 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Cl ZINC000002620223 304106385 /nfs/dbraw/zinc/10/63/85/304106385.db2.gz MOUSWKSFMZFOSK-JTQLQIEISA-N -1 0 303.767 1.968 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000037406448 304106537 /nfs/dbraw/zinc/10/65/37/304106537.db2.gz UPIALQGHEWCXTB-LBPRGKRZSA-N -1 0 311.359 1.249 50 0 DDAARM O=C([O-])[C@@H]1CCCN1CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000299743044 304114217 /nfs/dbraw/zinc/11/42/17/304114217.db2.gz JPDVQBZGFWTLHD-OLZOCXBDSA-N -1 0 304.346 1.175 50 0 DDAARM COc1ccc(Cl)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091293020 193032577 /nfs/dbraw/zinc/03/25/77/193032577.db2.gz LENSESUOCZCBCK-SNVBAGLBSA-N -1 0 313.737 1.664 50 0 DDAARM CCOCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091321019 193039721 /nfs/dbraw/zinc/03/97/21/193039721.db2.gz YKSHCUQBMCJMSO-UONOGXRCSA-N -1 0 309.337 1.879 50 0 DDAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1cscn1)CC2 ZINC000091526424 193069589 /nfs/dbraw/zinc/06/95/89/193069589.db2.gz BINDXTVOBZSJGL-ZDUSSCGKSA-N -1 0 323.418 1.431 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1c1cccnc1 ZINC000091818324 193112359 /nfs/dbraw/zinc/11/23/59/193112359.db2.gz JNHKNEQFRKOKHO-UONOGXRCSA-N -1 0 304.346 1.135 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2c(s1)CCCCC2 ZINC000088376106 304135814 /nfs/dbraw/zinc/13/58/14/304135814.db2.gz XPISEOJOFVQOGG-NSHDSACASA-N -1 0 309.387 1.943 50 0 DDAARM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262149391 203211485 /nfs/dbraw/zinc/21/14/85/203211485.db2.gz OILIGJYOAYSEBV-UWVGGRQHSA-N -1 0 315.322 1.030 50 0 DDAARM Cc1n[n-]c(SCC(=O)Nc2ccc(Cl)cn2)nc1=O ZINC000018179435 182097246 /nfs/dbraw/zinc/09/72/46/182097246.db2.gz FEXILDSPWWOZPM-UHFFFAOYSA-N -1 0 311.754 1.253 50 0 DDAARM COC(=O)c1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020616085 182239171 /nfs/dbraw/zinc/23/91/71/182239171.db2.gz YVSASQPSMPWGKE-UHFFFAOYSA-N -1 0 303.274 1.157 50 0 DDAARM C[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000020614873 182239427 /nfs/dbraw/zinc/23/94/27/182239427.db2.gz MSBXNNUXNAMLMN-QMMMGPOBSA-N -1 0 317.301 1.338 50 0 DDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1n[nH]cc1-c1ccccc1 ZINC000020616624 182239449 /nfs/dbraw/zinc/23/94/49/182239449.db2.gz JZFPAQJLQJONMG-UHFFFAOYSA-N -1 0 311.301 1.761 50 0 DDAARM Cc1c([N-]S(=O)(=O)c2ccccc2)c(-n2cnnc2)nn1C ZINC000021777715 182288307 /nfs/dbraw/zinc/28/83/07/182288307.db2.gz UEQZKGYLONZTOF-UHFFFAOYSA-N -1 0 318.362 1.110 50 0 DDAARM O=C([O-])C1CCC(CNc2c(=O)c(=O)c2N2CCCC2)CC1 ZINC000021727764 182286874 /nfs/dbraw/zinc/28/68/74/182286874.db2.gz PMHCUHHILXZNMF-UHFFFAOYSA-N -1 0 306.362 1.186 50 0 DDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2cccnc2)c1 ZINC000024962659 182395976 /nfs/dbraw/zinc/39/59/76/182395976.db2.gz WNWXMEOTOLSSTE-UHFFFAOYSA-N -1 0 319.386 1.692 50 0 DDAARM Cc1c(C(=O)[O-])sc2ncn(Cc3ccncc3)c(=O)c12 ZINC000031892671 182628119 /nfs/dbraw/zinc/62/81/19/182628119.db2.gz LMSCUEFLVPMGDL-UHFFFAOYSA-N -1 0 301.327 1.908 50 0 DDAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1OC ZINC000101675551 193834220 /nfs/dbraw/zinc/83/42/20/193834220.db2.gz DGFRAZPULVYPBT-SNVBAGLBSA-N -1 0 317.305 1.064 50 0 DDAARM Cc1c(-c2nn(CC(=O)[O-])c(=O)o2)cnn1-c1ccccc1 ZINC000040448182 183068646 /nfs/dbraw/zinc/06/86/46/183068646.db2.gz SFYNTTAVUKZSKW-UHFFFAOYSA-N -1 0 300.274 1.082 50 0 DDAARM COc1cc(NC(=O)COCC(=O)[O-])c(OC)cc1Cl ZINC000041063525 183160928 /nfs/dbraw/zinc/16/09/28/183160928.db2.gz GQLRTUGAPCKNCY-UHFFFAOYSA-N -1 0 303.698 1.397 50 0 DDAARM Cc1cc(C(=O)[N-]S(C)(=O)=O)c(C)n1Cc1ccccn1 ZINC000042280662 183249602 /nfs/dbraw/zinc/24/96/02/183249602.db2.gz DDWBHNLRCQMZDV-UHFFFAOYSA-N -1 0 307.375 1.238 50 0 DDAARM CC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268885709 207055117 /nfs/dbraw/zinc/05/51/17/207055117.db2.gz GBTWWFDQPUKYTR-UTUOFQBUSA-N -1 0 305.330 1.746 50 0 DDAARM COc1cc(F)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000268932029 207096666 /nfs/dbraw/zinc/09/66/66/207096666.db2.gz ZABSTEVSFXVRRJ-HGNGGELXSA-N -1 0 311.309 1.741 50 0 DDAARM Cc1cccc2c(CCC(=O)N3CCOC[C@@H]3C(=O)[O-])c[nH]c21 ZINC000268995072 207151094 /nfs/dbraw/zinc/15/10/94/207151094.db2.gz VGJCKPWFWCGJJG-CQSZACIVSA-N -1 0 316.357 1.721 50 0 DDAARM Cc1cccc(OCCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1C ZINC000268995124 207151718 /nfs/dbraw/zinc/15/17/18/207151718.db2.gz VQTDTMDXEIGMOY-CYBMUJFWSA-N -1 0 307.346 1.384 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000269079787 207225664 /nfs/dbraw/zinc/22/56/64/207225664.db2.gz FEITXMFYJMWRDY-JHJVBQTASA-N -1 0 317.341 1.637 50 0 DDAARM O=C([O-])c1nnn(-c2ccc3c(c2)OCO3)c1-c1ccccn1 ZINC000065288236 184322590 /nfs/dbraw/zinc/32/25/90/184322590.db2.gz BFCLUQYZBMYMSG-UHFFFAOYSA-N -1 0 310.269 1.756 50 0 DDAARM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)[C@H]1C(=O)[O-] ZINC000332658999 296381700 /nfs/dbraw/zinc/38/17/00/296381700.db2.gz WKKHYRKSAUTRCH-QMTHXVAHSA-N -1 0 301.346 1.899 50 0 DDAARM COc1ccc([C@]2(CC(=O)[O-])CC(=O)N(C3CC3)C2=O)cc1 ZINC000299781529 533211405 /nfs/dbraw/zinc/21/14/05/533211405.db2.gz UJIIFMYUNGSWHO-MRXNPFEDSA-N -1 0 303.314 1.329 50 0 DDAARM O=C([O-])C1(NC(=O)N2CCc3sccc3C2)CCOCC1 ZINC000131897318 257242420 /nfs/dbraw/zinc/24/24/20/257242420.db2.gz FZAZHPFSHSKKOC-UHFFFAOYSA-N -1 0 310.375 1.450 50 0 DDAARM CCSc1nnc([N-]C(=O)c2nc3nccc(C)n3n2)s1 ZINC000002630688 406693388 /nfs/dbraw/zinc/69/33/88/406693388.db2.gz MCXBWYLTOMZQHF-UHFFFAOYSA-N -1 0 321.391 1.649 50 0 DDAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000002846681 406705448 /nfs/dbraw/zinc/70/54/48/406705448.db2.gz VKOANWKCMSJQQZ-UHFFFAOYSA-N -1 0 321.354 1.911 50 0 DDAARM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cn[nH]c3)ccc21 ZINC000069770973 406767728 /nfs/dbraw/zinc/76/77/28/406767728.db2.gz PNTKCQNSDHNTGE-UHFFFAOYSA-N -1 0 306.347 1.120 50 0 DDAARM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000069414441 406706492 /nfs/dbraw/zinc/70/64/92/406706492.db2.gz NLQGLAKJWIMREN-UHFFFAOYSA-N -1 0 316.285 1.816 50 0 DDAARM COc1ccccc1OCCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170591 406859423 /nfs/dbraw/zinc/85/94/23/406859423.db2.gz WOMFYXLQOFKQIM-LBPRGKRZSA-N -1 0 307.346 1.787 50 0 DDAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CCO1 ZINC000013455933 406862564 /nfs/dbraw/zinc/86/25/64/406862564.db2.gz CZXSQCGMVWJMNQ-QMMMGPOBSA-N -1 0 319.766 1.448 50 0 DDAARM O=C([O-])c1cccc(CN2C(=S)N=NC2c2cnccn2)c1 ZINC000013730804 406867242 /nfs/dbraw/zinc/86/72/42/406867242.db2.gz HGNBNVIBCAJRFJ-UHFFFAOYSA-N -1 0 313.342 1.770 50 0 DDAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2nccs2)cs1 ZINC000013735095 406867689 /nfs/dbraw/zinc/86/76/89/406867689.db2.gz WRAUBSYFTXAQTO-UHFFFAOYSA-N -1 0 318.405 1.152 50 0 DDAARM CCn1c2ccccc2nc(N2CCC(C(=O)[O-])CC2)c1=O ZINC000021782475 406889528 /nfs/dbraw/zinc/88/95/28/406889528.db2.gz LSTVHKOBVCIGRD-UHFFFAOYSA-N -1 0 301.346 1.717 50 0 DDAARM C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000036722481 406983039 /nfs/dbraw/zinc/98/30/39/406983039.db2.gz MBKPMQYFUMHDOR-LBPRGKRZSA-N -1 0 317.128 1.845 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)CCO1 ZINC000049864858 407125740 /nfs/dbraw/zinc/12/57/40/407125740.db2.gz CGQPJQUHFYKWGD-VIFPVBQESA-N -1 0 324.383 1.797 50 0 DDAARM CN(C[C@H](O)C1CC1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000089880341 407154860 /nfs/dbraw/zinc/15/48/60/407154860.db2.gz VGRIUMRKRUTOPG-LBPRGKRZSA-N -1 0 319.386 1.841 50 0 DDAARM Cc1cc(C)n(CC2(CNc3ncncc3C(=O)[O-])CC2)n1 ZINC000095371010 407210156 /nfs/dbraw/zinc/21/01/56/407210156.db2.gz KTDHMFOYDGVWBK-UHFFFAOYSA-N -1 0 301.350 1.880 50 0 DDAARM CCNc1ncc(C(=O)N[C@H](CC(=O)[O-])c2ccco2)cn1 ZINC000095366546 407210255 /nfs/dbraw/zinc/21/02/55/407210255.db2.gz YGHAPUNUXFEMBW-SNVBAGLBSA-N -1 0 304.306 1.447 50 0 DDAARM CN1CCCc2ccc(S(=O)(=O)[N-]c3nncs3)cc21 ZINC000095439250 407214140 /nfs/dbraw/zinc/21/41/40/407214140.db2.gz KXCHSEFTCHTBBD-UHFFFAOYSA-N -1 0 310.404 1.721 50 0 DDAARM Cc1cc(S(=O)(=O)N2CCO[C@H](C)C2)cc(C(=O)[O-])c1C ZINC000095940681 407215005 /nfs/dbraw/zinc/21/50/05/407215005.db2.gz GIZXZBZDRFLIJU-SNVBAGLBSA-N -1 0 313.375 1.411 50 0 DDAARM O=S(=O)([N-]c1ncc(-c2ncc[nH]2)cn1)c1ccccc1 ZINC000102653657 407325593 /nfs/dbraw/zinc/32/55/93/407325593.db2.gz KPGKILLFWHVRNP-UHFFFAOYSA-N -1 0 301.331 1.668 50 0 DDAARM Cc1ocnc1C(=O)NC[C@H](Cc1ccccc1C)C(=O)[O-] ZINC000097036034 407275700 /nfs/dbraw/zinc/27/57/00/407275700.db2.gz PGDDRONGJLMIRR-ZDUSSCGKSA-N -1 0 302.330 1.965 50 0 DDAARM O=C([O-])CCn1cc(CN2CCO[C@@H](c3cccnc3)C2)cn1 ZINC000097522759 407299013 /nfs/dbraw/zinc/29/90/13/407299013.db2.gz UNESKKFASJLSSO-OAHLLOKOSA-N -1 0 316.361 1.326 50 0 DDAARM C[C@H](CN(C)C(=O)c1cccn1C1CCCC1)c1nnn[n-]1 ZINC000124170502 407350067 /nfs/dbraw/zinc/35/00/67/407350067.db2.gz VKVTZIQOTCTISP-LLVKDONJSA-N -1 0 302.382 1.992 50 0 DDAARM C=C(C)CNC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000254698200 407467962 /nfs/dbraw/zinc/46/79/62/407467962.db2.gz AITUOOIZKFEHRQ-UHFFFAOYSA-N -1 0 307.375 1.524 50 0 DDAARM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc(=O)[nH]1 ZINC000217353257 407501319 /nfs/dbraw/zinc/50/13/19/407501319.db2.gz BVPLYZFORAYJQV-ZDUSSCGKSA-N -1 0 300.314 1.629 50 0 DDAARM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCSC3)cc2[n-]c1=S ZINC000170643455 407463333 /nfs/dbraw/zinc/46/33/33/407463333.db2.gz DWVTYBYSVHGGRG-SECBINFHSA-N -1 0 321.427 1.458 50 0 DDAARM COC[C@@H]1[C@H](NC(=O)c2ccc([O-])c(Cl)c2)[C@@H]2CCO[C@H]12 ZINC000222242853 407554497 /nfs/dbraw/zinc/55/44/97/407554497.db2.gz OMEHDJHRVSEJRE-PJQZNRQZSA-N -1 0 311.765 1.825 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000261751744 407599925 /nfs/dbraw/zinc/59/99/25/407599925.db2.gz HHFSALOSSSEWPW-CYBMUJFWSA-N -1 0 307.394 1.632 50 0 DDAARM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000226746441 407624000 /nfs/dbraw/zinc/62/40/00/407624000.db2.gz XRWWEXIRGVGQSW-UHFFFAOYSA-N -1 0 321.358 1.007 50 0 DDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCc1nc2c(s1)CCCC2 ZINC000262575606 407870715 /nfs/dbraw/zinc/87/07/15/407870715.db2.gz DKIQMLNCAQDHAB-UWVGGRQHSA-N -1 0 308.403 1.791 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 ZINC000238087224 407886230 /nfs/dbraw/zinc/88/62/30/407886230.db2.gz QGYXIBQRWOVLBN-ZDUSSCGKSA-N -1 0 316.357 1.289 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)CCO1 ZINC000238123729 407892925 /nfs/dbraw/zinc/89/29/25/407892925.db2.gz HDXJBNHGYPMDLI-DZGCQCFKSA-N -1 0 303.358 1.809 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CCO1 ZINC000238123856 407893685 /nfs/dbraw/zinc/89/36/85/407893685.db2.gz QJUDWADAKSKPRO-CYBMUJFWSA-N -1 0 306.293 1.162 50 0 DDAARM O=C([O-])c1cccc(C(=O)N2CCN(c3cnccn3)CC2)c1 ZINC000238205813 407899313 /nfs/dbraw/zinc/89/93/13/407899313.db2.gz LODSTGSKOGWKDL-UHFFFAOYSA-N -1 0 312.329 1.137 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCn2ccc3ccccc32)CCO1 ZINC000262905106 407966064 /nfs/dbraw/zinc/96/60/64/407966064.db2.gz BYEGFBZYCVZLAB-AWEZNQCLSA-N -1 0 302.330 1.343 50 0 DDAARM C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1ccnn1C ZINC000263161336 408043343 /nfs/dbraw/zinc/04/33/43/408043343.db2.gz IJBPQHKRBBXFNZ-DGCLKSJQSA-N -1 0 301.346 1.336 50 0 DDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000263185573 408051465 /nfs/dbraw/zinc/05/14/65/408051465.db2.gz ZXNBUJYULZGYGP-SJCJKPOMSA-N -1 0 321.373 1.748 50 0 DDAARM C[C@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)NC(=O)C1CCCC1 ZINC000136163976 408084123 /nfs/dbraw/zinc/08/41/23/408084123.db2.gz SJURLJJFSCAFMH-DGCLKSJQSA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000136490904 408110315 /nfs/dbraw/zinc/11/03/15/408110315.db2.gz MPZKRHIBGSEVCM-AWEZNQCLSA-N -1 0 314.341 1.467 50 0 DDAARM CC1=NN(c2ccc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)cc2)CC1 ZINC000263336443 408112621 /nfs/dbraw/zinc/11/26/21/408112621.db2.gz QYXXBBIZWFHNTO-BETUJISGSA-N -1 0 301.346 1.866 50 0 DDAARM Cc1cn(-c2ccc(F)cc2)nc1C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000263371725 408121789 /nfs/dbraw/zinc/12/17/89/408121789.db2.gz YNKCZVOTCZOLSI-CQSZACIVSA-N -1 0 317.320 1.913 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cc(C3CC3)no2)(C(=O)[O-])C1(C)C ZINC000263480876 408151787 /nfs/dbraw/zinc/15/17/87/408151787.db2.gz AOAPTGBXILQOSZ-LRDDRELGSA-N -1 0 322.361 1.940 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cc(C3CC3)n[nH]2)(C(=O)[O-])C1(C)C ZINC000193042833 408687308 /nfs/dbraw/zinc/68/73/08/408687308.db2.gz QSHGSGVMQNIUJH-MLGOLLRUSA-N -1 0 321.377 1.675 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cn1 ZINC000647744979 423027935 /nfs/dbraw/zinc/02/79/35/423027935.db2.gz NRBHNHMLHKEVOL-WDEREUQCSA-N -1 0 321.283 1.988 50 0 DDAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccc(-n2cccn2)nn1 ZINC000044978420 418436071 /nfs/dbraw/zinc/43/60/71/418436071.db2.gz FCJIQDUOQIJUMI-UHFFFAOYSA-N -1 0 304.313 1.803 50 0 DDAARM O=C(CCNC(=O)c1ccc2[n-]c(=S)oc2c1)N1CCCC1 ZINC000118766762 418502179 /nfs/dbraw/zinc/50/21/79/418502179.db2.gz ZEEDOZXCNZGWDF-UHFFFAOYSA-N -1 0 319.386 1.859 50 0 DDAARM Cn1ccnc1CN1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426690512 419532419 /nfs/dbraw/zinc/53/24/19/419532419.db2.gz DFARLIPPOKQYCJ-GFCCVEGCSA-N -1 0 303.366 1.081 50 0 DDAARM COCc1cccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299752651 229395113 /nfs/dbraw/zinc/39/51/13/229395113.db2.gz UWOPRYTWSHFQEN-UHFFFAOYSA-N -1 0 307.346 1.539 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1cnn(-c2ccccc2)c1 ZINC000492215727 421214774 /nfs/dbraw/zinc/21/47/74/421214774.db2.gz VCDDIUJKPKPTBM-CDNLZTBQSA-N -1 0 311.341 1.961 50 0 DDAARM CCc1n[n-]c(=NC(=O)NCc2cc(C(F)(F)F)on2)s1 ZINC000585120166 422306623 /nfs/dbraw/zinc/30/66/23/422306623.db2.gz WOFDMBPDUDVRSB-UHFFFAOYSA-N -1 0 321.284 1.851 50 0 DDAARM NC(=O)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000606441894 422459698 /nfs/dbraw/zinc/45/96/98/422459698.db2.gz RIVPSTTVLRIZPT-PIZKADEWSA-N -1 0 316.357 1.655 50 0 DDAARM CC(C)(C)N1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000243013713 263598467 /nfs/dbraw/zinc/59/84/67/263598467.db2.gz HXLYPWWBCZSLQJ-ZDUSSCGKSA-N -1 0 318.373 1.648 50 0 DDAARM O=C([O-])c1cccnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000647453581 424033490 /nfs/dbraw/zinc/03/34/90/424033490.db2.gz MDYFZUBJLYPESG-MRVPVSSYSA-N -1 0 317.267 1.285 50 0 DDAARM CO[N-]C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000053720401 293375110 /nfs/dbraw/zinc/37/51/10/293375110.db2.gz SJFYYGGLDMUUTE-ZDUSSCGKSA-N -1 0 300.314 1.524 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000262910715 298210627 /nfs/dbraw/zinc/21/06/27/298210627.db2.gz SBICDUOKFINHLT-MRVPVSSYSA-N -1 0 308.359 1.666 50 0 DDAARM C[C@H]1CN(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000037462825 300285215 /nfs/dbraw/zinc/28/52/15/300285215.db2.gz YMTHXYYRKOJVDN-UWVGGRQHSA-N -1 0 314.363 1.151 50 0 DDAARM C[C@H]1CN(c2cc(C(=O)[O-])ccc2S(C)(=O)=O)C[C@H](C)O1 ZINC000015443600 300295456 /nfs/dbraw/zinc/29/54/56/300295456.db2.gz KUHMXFFFEAEMPI-UWVGGRQHSA-N -1 0 313.375 1.402 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)O[C@@H](C)C(=O)N3)no1 ZINC000252491923 301364322 /nfs/dbraw/zinc/36/43/22/301364322.db2.gz LZPYXEIMWFTKFG-QMMMGPOBSA-N -1 0 323.330 1.503 50 0 DDAARM Cc1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)[O-])c(C)s1 ZINC000072148372 301388873 /nfs/dbraw/zinc/38/88/73/301388873.db2.gz YSVCUXOMSVZGFS-SNVBAGLBSA-N -1 0 319.404 1.229 50 0 DDAARM Cc1ccc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])c(C)nc2c1 ZINC000299751522 301920424 /nfs/dbraw/zinc/92/04/24/301920424.db2.gz QUMSLJORBQJUCX-HNNXBMFYSA-N -1 0 314.341 1.777 50 0 DDAARM Cc1ccc(C(C)C)cc1OCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000532002203 303269130 /nfs/dbraw/zinc/26/91/30/303269130.db2.gz IVKVXWANNRGLBH-HNNXBMFYSA-N -1 0 321.373 1.809 50 0 DDAARM C[C@@H]1Cc2cc(C(=O)N3C[C@@H](C)O[C@@H](C(=O)[O-])C3)ccc2O1 ZINC000659163356 484664674 /nfs/dbraw/zinc/66/46/74/484664674.db2.gz SDVUHJYGYYSWHP-GPCCPHFNSA-N -1 0 305.330 1.324 50 0 DDAARM CCN(CCC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328595080 528400890 /nfs/dbraw/zinc/40/08/90/528400890.db2.gz KDKCIWTXEJXDHL-GQCTYLIASA-N -1 0 305.330 1.794 50 0 DDAARM CCOc1ccc2c(c1)C[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)CO2 ZINC000299743108 528621717 /nfs/dbraw/zinc/62/17/17/528621717.db2.gz LVOJEXXRNVAFHH-AAEUAGOBSA-N -1 0 319.357 1.570 50 0 DDAARM C/C(=C/C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccncc1 ZINC000124393312 696742605 /nfs/dbraw/zinc/74/26/05/696742605.db2.gz BUHHMKBWVOJVOO-LUAWRHEFSA-N -1 0 303.343 1.385 50 0 DDAARM CC(=O)N[C@@H](CSS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000085395677 539169581 /nfs/dbraw/zinc/16/95/81/539169581.db2.gz DTYDDEBFHLIKGG-NSHDSACASA-N -1 0 317.388 1.006 50 0 DDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2nc3cccnc3[nH]2)C1 ZINC000426544681 529520014 /nfs/dbraw/zinc/52/00/14/529520014.db2.gz IMMDJLFCLGTGML-OAHLLOKOSA-N -1 0 302.334 1.675 50 0 DDAARM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1F)N1CCCC1=O ZINC000261885293 539275354 /nfs/dbraw/zinc/27/53/54/539275354.db2.gz AXFQDUUBPPUZIO-GFCCVEGCSA-N -1 0 308.309 1.863 50 0 DDAARM COCc1ccsc1C(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262723834 539275830 /nfs/dbraw/zinc/27/58/30/539275830.db2.gz FVEFVDIQEKFNJM-ONGXEEELSA-N -1 0 313.375 1.504 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000263568395 539276191 /nfs/dbraw/zinc/27/61/91/539276191.db2.gz YLJBUAYOEWDVBB-GXSJLCMTSA-N -1 0 308.309 1.158 50 0 DDAARM Cc1cc(C(=O)NCCc2n[nH]c(=O)[n-]2)c2cccc(C)c2n1 ZINC000082108925 192357082 /nfs/dbraw/zinc/35/70/82/192357082.db2.gz DFUHGKUOBPVERB-UHFFFAOYSA-N -1 0 311.345 1.236 50 0 DDAARM CCC(CC)[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)N1CCOCC1 ZINC000178270777 282250849 /nfs/dbraw/zinc/25/08/49/282250849.db2.gz ZHCIGYBAFRMCCU-ZIAGYGMSSA-N -1 0 312.410 1.057 50 0 DDAARM COCCN1CCN([C@@H](C(=O)[O-])c2ccc(SC)cc2)CC1 ZINC000095392276 185351935 /nfs/dbraw/zinc/35/19/35/185351935.db2.gz HTVDFHZQTFAZQR-OAHLLOKOSA-N -1 0 324.446 1.798 50 0 DDAARM COc1ccccc1/C=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000095403627 185355166 /nfs/dbraw/zinc/35/51/66/185355166.db2.gz HMNPLEZOEFBTIQ-YBJDMEARSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cnc2N)nn1C ZINC000095437185 185365265 /nfs/dbraw/zinc/36/52/65/185365265.db2.gz UZPWLBVJYZMTHA-UHFFFAOYSA-N -1 0 301.759 1.160 50 0 DDAARM Cc1cc(N2CC[NH2+][C@H](C(=O)[O-])C2)nc(-c2ccccc2[O-])n1 ZINC000071764378 191026950 /nfs/dbraw/zinc/02/69/50/191026950.db2.gz AKTMZTXWGDZEPJ-LBPRGKRZSA-N -1 0 314.345 1.020 50 0 DDAARM O=C([O-])Cc1ccccc1S(=O)(=O)NCc1ccccc1 ZINC000071769480 191030458 /nfs/dbraw/zinc/03/04/58/191030458.db2.gz KKSXJIIHICTXLF-UHFFFAOYSA-N -1 0 305.355 1.792 50 0 DDAARM CCc1nn(C)c(OC)c1CNC(=O)c1ccc(C(=O)[O-])s1 ZINC000262900486 186321550 /nfs/dbraw/zinc/32/15/50/186321550.db2.gz ZZKROMUKBKCIPG-UHFFFAOYSA-N -1 0 323.374 1.681 50 0 DDAARM Cc1cccc(NC(=O)[C@H](C)Sc2n[nH]c(=O)[n-]c2=O)c1C ZINC000000115619 180697739 /nfs/dbraw/zinc/69/77/39/180697739.db2.gz UYFMIYUUOBSTIK-VIFPVBQESA-N -1 0 320.374 1.194 50 0 DDAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)c(C)o1 ZINC000072474448 191177671 /nfs/dbraw/zinc/17/76/71/191177671.db2.gz MZJPAOJRXZOQEF-UHFFFAOYSA-N -1 0 317.345 1.809 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000331963276 234326017 /nfs/dbraw/zinc/32/60/17/234326017.db2.gz SRTRYNFBYAIVLC-NSHDSACASA-N -1 0 321.724 1.005 50 0 DDAARM COc1ccc(OC)c2c1cc(C(=O)N[C@@H](C)C(=O)[O-])n2C ZINC000004000277 181060329 /nfs/dbraw/zinc/06/03/29/181060329.db2.gz BWAUQNDPUJQORX-QMMMGPOBSA-N -1 0 306.318 1.398 50 0 biogenic DDAARM COc1ccccc1NS(=O)(=O)c1ccc([O-])c(C(N)=O)c1 ZINC000004001780 181061467 /nfs/dbraw/zinc/06/14/67/181061467.db2.gz MSVIIEIGCLPMIB-UHFFFAOYSA-N -1 0 322.342 1.301 50 0 DDAARM O=C([N-]S(=O)(=O)CCc1cccs1)c1cscn1 ZINC000195579078 354298428 /nfs/dbraw/zinc/29/84/28/354298428.db2.gz NYYWCGKCUZSILO-UHFFFAOYSA-N -1 0 302.402 1.507 50 0 DDAARM COc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(C)=O)cc1OC ZINC000004421502 181109249 /nfs/dbraw/zinc/10/92/49/181109249.db2.gz JVXRTJGUSUROLQ-MFKMUULPSA-N -1 0 311.359 1.751 50 0 DDAARM COc1cc(C(=O)N2CC3(COC3)[C@@](F)(C(=O)[O-])C2)ccc1C ZINC000585134261 354811335 /nfs/dbraw/zinc/81/13/35/354811335.db2.gz KEIJTYFZIQFCOC-INIZCTEOSA-N -1 0 323.320 1.269 50 0 DDAARM O=C(COc1ccccc1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000585139746 354814054 /nfs/dbraw/zinc/81/40/54/354814054.db2.gz SNXGZZHFZCDKRF-OAHLLOKOSA-N -1 0 309.329 1.484 50 0 DDAARM Cc1c(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000005378102 181236367 /nfs/dbraw/zinc/23/63/67/181236367.db2.gz MSUJKBMHPCMFRK-VXGBXAGGSA-N -1 0 315.329 1.144 50 0 DDAARM COCC[C@@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000081026303 192216879 /nfs/dbraw/zinc/21/68/79/192216879.db2.gz LNPNWUFRYPJUIJ-GFCCVEGCSA-N -1 0 303.362 1.629 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000237026301 202127497 /nfs/dbraw/zinc/12/74/97/202127497.db2.gz DGGFGSWOAJXHMS-UHFFFAOYSA-N -1 0 304.346 1.750 50 0 DDAARM Cc1nc(-c2nc[nH]n2)sc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237738736 202341875 /nfs/dbraw/zinc/34/18/75/202341875.db2.gz LGDWKSXCLGJQPE-CYBMUJFWSA-N -1 0 321.362 1.173 50 0 DDAARM C[C@]1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CCCc2ccccc21 ZINC000237786504 202354411 /nfs/dbraw/zinc/35/44/11/202354411.db2.gz RTBFQSBVTCVPDU-PBHICJAKSA-N -1 0 303.358 1.593 50 0 DDAARM Cc1nc(-c2cccc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)c2)no1 ZINC000237811381 202360612 /nfs/dbraw/zinc/36/06/12/202360612.db2.gz WDUNRTNHBXKKRQ-INIZCTEOSA-N -1 0 315.329 1.982 50 0 DDAARM Cc1ccc2nc(C)c(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2c1 ZINC000237898666 202385007 /nfs/dbraw/zinc/38/50/07/202385007.db2.gz FDZLETCHITWBOQ-HNNXBMFYSA-N -1 0 314.341 1.777 50 0 DDAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC000238011485 202417834 /nfs/dbraw/zinc/41/78/34/202417834.db2.gz OYHSLVZZJBPJFZ-LLVKDONJSA-N -1 0 306.366 1.259 50 0 DDAARM Nc1ccc(S[C@H]2[C@H]3OC(=O)[C@@H]4[C@H]3C[C@H]2[C@H]4C(=O)[O-])cc1 ZINC000244659695 202486806 /nfs/dbraw/zinc/48/68/06/202486806.db2.gz HHIQPLWSTYAEPV-QRNINRFLSA-N -1 0 305.355 1.622 50 0 DDAARM Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)n1 ZINC000091793432 193109529 /nfs/dbraw/zinc/10/95/29/193109529.db2.gz PWJZVDAWJBYVJJ-CHWSQXEVSA-N -1 0 311.341 1.725 50 0 DDAARM O=C([O-])C1(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000262338180 203265277 /nfs/dbraw/zinc/26/52/77/203265277.db2.gz XPNULNMLTSSDCR-LBPRGKRZSA-N -1 0 318.329 1.607 50 0 DDAARM COc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1F ZINC000262349725 203271048 /nfs/dbraw/zinc/27/10/48/203271048.db2.gz DXVBOTLLLWZOGE-LLVKDONJSA-N -1 0 305.327 1.222 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cnc(-c2ncccn2)s1 ZINC000262720844 203393102 /nfs/dbraw/zinc/39/31/02/203393102.db2.gz VIELOXAKDQVAHO-QMMMGPOBSA-N -1 0 304.331 1.289 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCOCC1 ZINC000095948667 193455087 /nfs/dbraw/zinc/45/50/87/193455087.db2.gz XHGISWSODCFNAS-HNNXBMFYSA-N -1 0 316.357 1.706 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(CC(=O)[O-])CC(C)C ZINC000095969872 193466357 /nfs/dbraw/zinc/46/63/57/193466357.db2.gz VXGQVABZPWSDFE-LLVKDONJSA-N -1 0 309.410 1.785 50 0 DDAARM CNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000020120036 182189475 /nfs/dbraw/zinc/18/94/75/182189475.db2.gz MTSNKHFTMILZHK-QWHCGFSZSA-N -1 0 304.346 1.876 50 0 DDAARM CCc1nc2n(n1)[C@H](c1ccc(O)c(OC)c1)CC(C(=O)[O-])=N2 ZINC000020724985 182244660 /nfs/dbraw/zinc/24/46/60/182244660.db2.gz FLRGKFMXFXBFGL-JTQLQIEISA-N -1 0 316.317 1.538 50 0 DDAARM O=CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1 ZINC000020744834 182245821 /nfs/dbraw/zinc/24/58/21/182245821.db2.gz SQUGYOYYJPCYEX-AWEZNQCLSA-N -1 0 321.764 1.721 50 0 DDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=S)Nc1ccccc1 ZINC000022405225 182320711 /nfs/dbraw/zinc/32/07/11/182320711.db2.gz YZJAJLZKYPOXCK-GFCCVEGCSA-N -1 0 302.359 1.618 50 0 DDAARM O=C([O-])c1ccc(S(=O)(=O)NCCc2cccnc2)cc1 ZINC000037492354 182898925 /nfs/dbraw/zinc/89/89/25/182898925.db2.gz JOIMSBHHHDXJCQ-UHFFFAOYSA-N -1 0 306.343 1.301 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)CCO1 ZINC000043701441 183381697 /nfs/dbraw/zinc/38/16/97/183381697.db2.gz FFHHFMCICJUAGV-LLVKDONJSA-N -1 0 318.156 1.848 50 0 DDAARM O=C([O-])c1n[nH]cc1[C@H]1CC(=O)Nc2n[nH]c(-c3cccnc3)c21 ZINC000067446774 304216388 /nfs/dbraw/zinc/21/63/88/304216388.db2.gz BGHWGBRRPOQAEE-MRVPVSSYSA-N -1 0 324.300 1.367 50 0 DDAARM C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)CS2 ZINC000268901651 207069698 /nfs/dbraw/zinc/06/96/98/207069698.db2.gz GLODFIUWKCYZQX-OTYXRUKQSA-N -1 0 324.358 1.048 50 0 DDAARM COCCOC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000268931940 207097287 /nfs/dbraw/zinc/09/72/87/207097287.db2.gz YVYLKOTWVGSGQC-UHFFFAOYSA-N -1 0 307.346 1.652 50 0 DDAARM CCc1cccc2c(CC(=O)N3CCOC[C@H]3C(=O)[O-])c[nH]c21 ZINC000268973131 207135431 /nfs/dbraw/zinc/13/54/31/207135431.db2.gz HZURAYJHUMHDQE-AWEZNQCLSA-N -1 0 316.357 1.585 50 0 DDAARM Cc1ccc2c(CC(=O)N3CCOC[C@H]3C(=O)[O-])coc2c1C ZINC000268970168 207132045 /nfs/dbraw/zinc/13/20/45/207132045.db2.gz GHTKRMKMDZJTKV-AWEZNQCLSA-N -1 0 317.341 1.904 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2OCC2CC2)CCO1 ZINC000269037998 207186538 /nfs/dbraw/zinc/18/65/38/207186538.db2.gz PEEODTBECXGUGG-ZDUSSCGKSA-N -1 0 319.357 1.791 50 0 DDAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1N(C)C[C@@H]1COCCO1 ZINC000064820648 184303704 /nfs/dbraw/zinc/30/37/04/184303704.db2.gz BSEUXZLKUVUJJC-GFCCVEGCSA-N -1 0 322.361 1.585 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000071328867 256542643 /nfs/dbraw/zinc/54/26/43/256542643.db2.gz SEAFFYSOKRKJIE-HZMBPMFUSA-N -1 0 317.345 1.012 50 0 DDAARM COc1ccccc1[C@@H](C)CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268977147 257256854 /nfs/dbraw/zinc/25/68/54/257256854.db2.gz KOZXJSOCTXSKDB-WCQYABFASA-N -1 0 307.346 1.501 50 0 DDAARM CS[C@H](CNC(=O)c1n[nH]c(=O)[n-]1)c1cccc(Cl)c1 ZINC000071898173 184894370 /nfs/dbraw/zinc/89/43/70/184894370.db2.gz XUIPBYUAIRWKLS-SECBINFHSA-N -1 0 312.782 1.586 50 0 DDAARM O=C([O-])c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO ZINC000037328029 304286056 /nfs/dbraw/zinc/28/60/56/304286056.db2.gz FGOCPFKNBYZDTF-VIFPVBQESA-N -1 0 319.404 1.372 50 0 DDAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]c3cccc(F)c3)nc2n1 ZINC000000081537 406618389 /nfs/dbraw/zinc/61/83/89/406618389.db2.gz DPIXJBFABDOFKI-UHFFFAOYSA-N -1 0 321.337 1.681 50 0 DDAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000101891 406620875 /nfs/dbraw/zinc/62/08/75/406620875.db2.gz KCGRRSBXPMGGCE-UHFFFAOYSA-N -1 0 322.346 1.846 50 0 DDAARM Cc1nc2nc(S(=O)(=O)[N-]CCC(C)C)nn2c(C)c1C ZINC000000210859 406631188 /nfs/dbraw/zinc/63/11/88/406631188.db2.gz VANMIWXIMRVPPL-UHFFFAOYSA-N -1 0 311.411 1.374 50 0 DDAARM CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)[O-])ccc12 ZINC000000489352 406651911 /nfs/dbraw/zinc/65/19/11/406651911.db2.gz WLHQCUMEWBFFAT-UHFFFAOYSA-N -1 0 319.313 1.325 50 0 biogenic DDAARM CCCCCCOC(=O)[C@@H](CC)Sc1n[nH]c(=O)[n-]c1=O ZINC000001747408 406677449 /nfs/dbraw/zinc/67/74/49/406677449.db2.gz BEYBDSIHBGJQNB-SECBINFHSA-N -1 0 315.395 1.452 50 0 DDAARM Cc1nn(C)c(Cl)c1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000002510537 406691422 /nfs/dbraw/zinc/69/14/22/406691422.db2.gz RPZOCZJKTZOSID-NSHDSACASA-N -1 0 307.737 1.938 50 0 DDAARM O=C(NC1CCSCC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069871494 406783228 /nfs/dbraw/zinc/78/32/28/406783228.db2.gz PMNMZKGLCOOBSE-UHFFFAOYSA-N -1 0 321.427 1.837 50 0 DDAARM CCCC(=O)Nc1cc(=O)nc2[n-]c(Cc3ccccc3)nn21 ZINC000009329775 406807327 /nfs/dbraw/zinc/80/73/27/406807327.db2.gz LGFDVVYTYVWCKO-UHFFFAOYSA-N -1 0 311.345 1.747 50 0 DDAARM CC(C)NC(=O)[C@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000071289436 406836955 /nfs/dbraw/zinc/83/69/55/406836955.db2.gz XTXPPMZOMDCDNG-VIFPVBQESA-N -1 0 321.406 1.533 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)CCN2CCSC2=O)cc1 ZINC000013317256 406860979 /nfs/dbraw/zinc/86/09/79/406860979.db2.gz STLGKYBNGIUQFL-UHFFFAOYSA-N -1 0 308.359 1.560 50 0 DDAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CC1 ZINC000014244342 406873779 /nfs/dbraw/zinc/87/37/79/406873779.db2.gz JBHCMZTXBFXXTL-UHFFFAOYSA-N -1 0 303.337 1.824 50 0 DDAARM C/N=C1\S[C@@H](CC(=O)[O-])C(=O)N1c1cc([N+](=O)[O-])ccc1C ZINC000017242501 406883314 /nfs/dbraw/zinc/88/33/14/406883314.db2.gz APELAFTUWRUMFN-DZOVYVGFSA-N -1 0 323.330 1.812 50 0 DDAARM Cc1cccc(C)c1NC(=O)C[C@@H](C(=O)[O-])[NH+]1CCN(C)CC1 ZINC000022584970 406890819 /nfs/dbraw/zinc/89/08/19/406890819.db2.gz BOOXIACHMNQHOE-AWEZNQCLSA-N -1 0 319.405 1.333 50 0 DDAARM Cc1c(NC(=O)/C=C\C(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000032233363 406945778 /nfs/dbraw/zinc/94/57/78/406945778.db2.gz OOPQDRYQEAEXEW-HJWRWDBZSA-N -1 0 301.302 1.064 50 0 DDAARM CC(=O)Nc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000032103545 406946427 /nfs/dbraw/zinc/94/64/27/406946427.db2.gz FUMLBMXMCBNYGJ-UHFFFAOYSA-N -1 0 300.274 1.386 50 0 DDAARM Cn1c(C(=O)Nc2nnn[n-]2)cc2cc(C(F)(F)F)ccc21 ZINC000076066108 406953389 /nfs/dbraw/zinc/95/33/89/406953389.db2.gz QFZZESGDTVWKRS-UHFFFAOYSA-N -1 0 310.239 1.963 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)CCOc2ccccc2Cl)CCO1 ZINC000043702012 407019887 /nfs/dbraw/zinc/01/98/87/407019887.db2.gz WWWUFSONFAFEMM-GFCCVEGCSA-N -1 0 313.737 1.421 50 0 DDAARM CCn1cc(Br)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000037589311 406992001 /nfs/dbraw/zinc/99/20/01/406992001.db2.gz NVRRSYYITJEMLY-UHFFFAOYSA-N -1 0 315.167 1.960 50 0 DDAARM COc1ncc([N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC000085472042 407101972 /nfs/dbraw/zinc/10/19/72/407101972.db2.gz YRZVWDPQMBJMIT-UHFFFAOYSA-N -1 0 301.274 1.564 50 0 DDAARM CC(C)n1cc(C(=O)[O-])c(S(=O)(=O)N2CCC(C)CC2)n1 ZINC000049411640 407120276 /nfs/dbraw/zinc/12/02/76/407120276.db2.gz SCUORFJYLSKHEC-UHFFFAOYSA-N -1 0 315.395 1.583 50 0 DDAARM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000095976709 407219205 /nfs/dbraw/zinc/21/92/05/407219205.db2.gz RHLCFVGNKDNQKG-CQSZACIVSA-N -1 0 318.373 1.763 50 0 DDAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cn12 ZINC000067172414 407268966 /nfs/dbraw/zinc/26/89/66/407268966.db2.gz LXGPEJBOJJOWFW-UHFFFAOYSA-N -1 0 306.322 1.978 50 0 DDAARM CC[C@H](C)NC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000067245506 407269743 /nfs/dbraw/zinc/26/97/43/407269743.db2.gz WJLSAFSLXGVYKF-JTQLQIEISA-N -1 0 322.390 1.739 50 0 DDAARM NS(=O)(=O)[N-][C@@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000096496891 407273577 /nfs/dbraw/zinc/27/35/77/407273577.db2.gz KHQMAPHXMJWTSQ-ZETCQYMHSA-N -1 0 320.239 1.685 50 0 DDAARM C[C@@](NC(=O)c1cnn(Cc2ccccc2)c1)(C(=O)[O-])C1CC1 ZINC000097036226 407275766 /nfs/dbraw/zinc/27/57/66/407275766.db2.gz VRVWVEAMXQWOCM-KRWDZBQOSA-N -1 0 313.357 1.915 50 0 DDAARM O=C([O-])C1(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 ZINC000225485045 407590271 /nfs/dbraw/zinc/59/02/71/407590271.db2.gz TWEUUFXIQGCSGU-UHFFFAOYSA-N -1 0 308.281 1.685 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2Cn2cncn2)C1 ZINC000128554477 407547584 /nfs/dbraw/zinc/54/75/84/407547584.db2.gz YIZZLDRGNUVMHD-ZDUSSCGKSA-N -1 0 314.345 1.263 50 0 DDAARM CCN1CCN(c2ccc(C(=O)N(C)CC(=O)[O-])cc2F)CC1 ZINC000178929134 407660315 /nfs/dbraw/zinc/66/03/15/407660315.db2.gz VUJBYPAFFSYCFJ-UHFFFAOYSA-N -1 0 323.368 1.124 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(OCC(F)(F)F)nc2)C1 ZINC000237952577 407854374 /nfs/dbraw/zinc/85/43/74/407854374.db2.gz KACVMALTEWTTRM-SECBINFHSA-N -1 0 318.251 1.569 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000238097272 407889259 /nfs/dbraw/zinc/88/92/59/407889259.db2.gz UUBBAYLUACAYKE-JTQLQIEISA-N -1 0 320.320 1.499 50 0 DDAARM CCCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)C1 ZINC000262688864 407900804 /nfs/dbraw/zinc/90/08/04/407900804.db2.gz DJGNOOUCWXPJFV-UPJWGTAASA-N -1 0 310.394 1.395 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2c[nH]c3cc(F)ccc23)CCO1 ZINC000263005720 407999569 /nfs/dbraw/zinc/99/95/69/407999569.db2.gz QJUDWADAKSKPRO-ZDUSSCGKSA-N -1 0 306.293 1.162 50 0 DDAARM COc1ccc2c(CC(=O)N3CCO[C@H](C(=O)[O-])C3)coc2c1 ZINC000263060079 408014124 /nfs/dbraw/zinc/01/41/24/408014124.db2.gz XYPYDCLEVPGCLT-AWEZNQCLSA-N -1 0 319.313 1.296 50 0 DDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136513917 408109593 /nfs/dbraw/zinc/10/95/93/408109593.db2.gz ALEDXPBGPYYVLD-QMTHXVAHSA-N -1 0 307.394 1.681 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21 ZINC000136490870 408110951 /nfs/dbraw/zinc/11/09/51/408110951.db2.gz MPZKRHIBGSEVCM-CQSZACIVSA-N -1 0 314.341 1.467 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cc[nH]c(=O)c2)(C(=O)[O-])C1(C)C ZINC000262781606 163878094 /nfs/dbraw/zinc/87/80/94/163878094.db2.gz JDLFBCFQQCFPJO-BMIGLBTASA-N -1 0 308.334 1.175 50 0 DDAARM COc1ccccc1CC(=O)NC[C@H](C(=O)[O-])C1CCOCC1 ZINC000263032360 163905736 /nfs/dbraw/zinc/90/57/36/163905736.db2.gz VBKNCYWJIZFMSB-AWEZNQCLSA-N -1 0 321.373 1.481 50 0 DDAARM Cc1ccc(F)c(OCC(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000263307724 163948236 /nfs/dbraw/zinc/94/82/36/163948236.db2.gz OQOPNFVPEYHFCC-LLVKDONJSA-N -1 0 311.309 1.215 50 0 DDAARM CCOc1ccccc1/C=C\C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000314932501 409835271 /nfs/dbraw/zinc/83/52/71/409835271.db2.gz KWCNJYGKUBTWEC-DANTVBBOSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1ccc2nc(C)c(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2c1 ZINC000299748237 410604611 /nfs/dbraw/zinc/60/46/11/410604611.db2.gz GNKGYTNBEHPQRM-OAHLLOKOSA-N -1 0 314.341 1.777 50 0 DDAARM O=C([N-]S(=O)(=O)CCCF)c1cc(C2CCCCC2)n[nH]1 ZINC000130786623 196110425 /nfs/dbraw/zinc/11/04/25/196110425.db2.gz MYORIHXHVWLSMM-UHFFFAOYSA-N -1 0 317.386 1.877 50 0 DDAARM O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000036885615 418414834 /nfs/dbraw/zinc/41/48/34/418414834.db2.gz HETFVUNMOZZALP-UHFFFAOYSA-N -1 0 323.292 1.589 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cc(-c3ccccc3)on2)CCO1 ZINC000408513460 418806287 /nfs/dbraw/zinc/80/62/87/418806287.db2.gz QLNLXISTMMCEEP-AWEZNQCLSA-N -1 0 316.313 1.196 50 0 DDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(C2CC2)on1 ZINC000299747792 229391025 /nfs/dbraw/zinc/39/10/25/229391025.db2.gz FCDWXJZBQLCTFV-LLVKDONJSA-N -1 0 308.334 1.648 50 0 DDAARM Cc1cccc(OCC(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000299749946 229393371 /nfs/dbraw/zinc/39/33/71/229393371.db2.gz MFDFZESDHMXIIQ-UHFFFAOYSA-N -1 0 307.346 1.466 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)[C@H](C)O1 ZINC000630161978 421928130 /nfs/dbraw/zinc/92/81/30/421928130.db2.gz WKIOLBBWXAWAKI-TYNCELHUSA-N -1 0 321.373 1.922 50 0 DDAARM COc1cc(C)c(S(=O)(=O)NC(C)(C)C(=O)[O-])cc1C ZINC000578886388 422668858 /nfs/dbraw/zinc/66/88/58/422668858.db2.gz WGWGFLCZHXDNLM-UHFFFAOYSA-N -1 0 301.364 1.454 50 0 DDAARM COc1cccc2c(C)c(C(=O)N3CCOC[C@H]3C(=O)[O-])oc21 ZINC000299747416 295332394 /nfs/dbraw/zinc/33/23/94/295332394.db2.gz CXXCBLZATZPKSY-NSHDSACASA-N -1 0 319.313 1.675 50 0 DDAARM COc1ncccc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237121592 295464633 /nfs/dbraw/zinc/46/46/33/295464633.db2.gz JBDMPUGISGWRAI-WXHSDQCUSA-N -1 0 304.346 1.948 50 0 DDAARM C[C@@H]1C[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])CCO1 ZINC000262751022 297207624 /nfs/dbraw/zinc/20/76/24/297207624.db2.gz ISWLRYFDQFLAIW-ZLDLUXBVSA-N -1 0 303.358 1.840 50 0 DDAARM C[C@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000101692830 300856761 /nfs/dbraw/zinc/85/67/61/300856761.db2.gz JNJUYMAVYLYJRG-PRRDBKRISA-N -1 0 313.309 1.608 50 0 DDAARM Cc1cc(C)n(-c2cc(N3CCC[C@H](C(=O)[O-])C3)ncn2)n1 ZINC000040351601 301233948 /nfs/dbraw/zinc/23/39/48/301233948.db2.gz RKQFFSUPYNNWRQ-LBPRGKRZSA-N -1 0 301.350 1.580 50 0 DDAARM Cn1c2nc(-c3ccccc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615586 302897956 /nfs/dbraw/zinc/89/79/56/302897956.db2.gz GLZPYPDWWUQPKV-UHFFFAOYSA-N -1 0 313.338 1.982 50 0 DDAARM Cn1nnc(-c2ccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)n1 ZINC000071285029 303104753 /nfs/dbraw/zinc/10/47/53/303104753.db2.gz NDOMSNUSYAYMSP-MNOVXSKESA-N -1 0 315.333 1.172 50 0 DDAARM O=C([O-])CN(C(=O)COc1ccccc1F)C1CCOCC1 ZINC000532258169 303280507 /nfs/dbraw/zinc/28/05/07/303280507.db2.gz XTHFTSCZYNZJBO-UHFFFAOYSA-N -1 0 311.309 1.297 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000237744264 303342879 /nfs/dbraw/zinc/34/28/79/303342879.db2.gz JEQKFWPWTQXNOL-IHRRRGAJSA-N -1 0 316.357 1.643 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000537476772 303374305 /nfs/dbraw/zinc/37/43/05/303374305.db2.gz VGYWCNMUGSDESH-LLVKDONJSA-N -1 0 300.314 1.416 50 0 DDAARM CC(C)[C@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1cccnc1 ZINC000534671631 334320512 /nfs/dbraw/zinc/32/05/12/334320512.db2.gz BKHDZGBGARGWCL-AWEZNQCLSA-N -1 0 302.334 1.339 50 0 DDAARM O=C([O-])c1cc(CN2CCN(c3cccnc3)CC2)ccc1O ZINC000077534838 483961727 /nfs/dbraw/zinc/96/17/27/483961727.db2.gz FMRDGXBCFPTGNH-UHFFFAOYSA-N -1 0 313.357 1.808 50 0 DDAARM O=C([O-])c1csc(CCNC(=O)Cc2ccc(O)c(F)c2)n1 ZINC000217088938 484143843 /nfs/dbraw/zinc/14/38/43/484143843.db2.gz OEYKNYVGVQFDGB-UHFFFAOYSA-N -1 0 324.333 1.587 50 0 DDAARM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1c(C)onc1N ZINC000331727721 533869001 /nfs/dbraw/zinc/86/90/01/533869001.db2.gz OFJDOENJUWVJOQ-NSHDSACASA-N -1 0 323.374 1.370 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc32)CCO1 ZINC000299744938 534504053 /nfs/dbraw/zinc/50/40/53/534504053.db2.gz VPELVZPVQAXBHA-SNVBAGLBSA-N -1 0 316.313 1.256 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2nc3ccccc3s2)CCO1 ZINC000328594900 534524444 /nfs/dbraw/zinc/52/44/44/534524444.db2.gz FUQHJRXFFQFGSF-QRGHLMKCSA-N -1 0 318.354 1.622 50 0 DDAARM Cc1nc([C@@H]2CN(C(=O)c3ccc(F)cc3[O-])CCO2)no1 ZINC000328587914 534582452 /nfs/dbraw/zinc/58/24/52/534582452.db2.gz JSXHYFPOKVRCEZ-LBPRGKRZSA-N -1 0 307.281 1.436 50 0 DDAARM Cc1cccc([C@H](CC(=O)N2CCC[C@@H]2C(=O)[O-])NC(N)=O)c1 ZINC000299749284 534761312 /nfs/dbraw/zinc/76/13/12/534761312.db2.gz JURXXTOYAIKVAU-QWHCGFSZSA-N -1 0 319.361 1.170 50 0 DDAARM Cc1n[nH]c(C)c1CC(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000426386917 534835631 /nfs/dbraw/zinc/83/56/31/534835631.db2.gz OVWUEQLKZSNBFI-CQSZACIVSA-N -1 0 303.318 1.217 50 0 DDAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000299740750 526678950 /nfs/dbraw/zinc/67/89/50/526678950.db2.gz BPVBZQHJHYIHKE-CHWSQXEVSA-N -1 0 322.386 1.240 50 0 DDAARM CCOc1c(F)cccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299748806 528181865 /nfs/dbraw/zinc/18/18/65/528181865.db2.gz IGFWOWIQUIQBAG-JTQLQIEISA-N -1 0 311.309 1.540 50 0 DDAARM CC(C)n1nccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000426388370 528673434 /nfs/dbraw/zinc/67/34/34/528673434.db2.gz GTQDXSLBEHJANB-CYBMUJFWSA-N -1 0 303.318 1.725 50 0 DDAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000208488105 697749826 /nfs/dbraw/zinc/74/98/26/697749826.db2.gz PARGZCYEIOTURK-OMMCCPJFSA-N -1 0 311.769 1.718 50 0 DDAARM O=C([O-])C1(S(=O)(=O)N[C@@H]2CCc3ccc(F)cc32)CCC1 ZINC000864095842 706066395 /nfs/dbraw/zinc/06/63/95/706066395.db2.gz HNQHEVOGXQXMEK-GFCCVEGCSA-N -1 0 313.350 1.740 50 0 DDAARM O=S(=O)(c1ncc[n-]1)N1CCC[C@H](c2ccncc2)CC1 ZINC000952993520 721534300 /nfs/dbraw/zinc/53/43/00/721534300.db2.gz IDYXIBORWVANFK-LBPRGKRZSA-N -1 0 306.391 1.763 50 0 DDAARM CO[C@H](CS(=O)(=O)[N-]c1cnnn1-c1ccccc1)C(C)C ZINC000585129700 771961851 /nfs/dbraw/zinc/96/18/51/771961851.db2.gz SCWIWOIKNBPRIB-CYBMUJFWSA-N -1 0 324.406 1.680 50 0 DDAARM O=C([O-])[C@@H]1CCN1C(=O)CCc1nc(-c2ccccc2)no1 ZINC000095510153 185376263 /nfs/dbraw/zinc/37/62/63/185376263.db2.gz FUCZMIWGPLWEFG-NSHDSACASA-N -1 0 301.302 1.355 50 0 DDAARM CN(C(=O)c1cn2ccsc2n1)[C@H](C(=O)[O-])c1cccnc1 ZINC000095516384 185376618 /nfs/dbraw/zinc/37/66/18/185376618.db2.gz MHHKJVOZCPNIFA-NSHDSACASA-N -1 0 316.342 1.689 50 0 DDAARM CCCc1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)cc1 ZINC000079102256 185158641 /nfs/dbraw/zinc/15/86/41/185158641.db2.gz DFMYQVYBIOCYIR-UHFFFAOYSA-N -1 0 317.374 1.878 50 0 DDAARM COc1ccc2c(c1)OC[C@H](NC(=O)NCCCC(=O)[O-])C2 ZINC000263313480 539276082 /nfs/dbraw/zinc/27/60/82/539276082.db2.gz ZDNKOMWJTQEPBW-LLVKDONJSA-N -1 0 308.334 1.163 50 0 DDAARM O=C([O-])CCN(C(=O)C1=NO[C@@H](c2ccccc2)C1)C1CC1 ZINC000095424467 185361403 /nfs/dbraw/zinc/36/14/03/185361403.db2.gz ZPNLLIGYQGPGJY-CQSZACIVSA-N -1 0 302.330 1.970 50 0 DDAARM C[C@H](NC(=O)c1ccc(COCC(F)(F)F)cc1)C(=O)[O-] ZINC000095425342 185361685 /nfs/dbraw/zinc/36/16/85/185361685.db2.gz RRCDXOXXGJBCHT-QMMMGPOBSA-N -1 0 305.252 1.968 50 0 DDAARM C[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])n1cccn1 ZINC000095463996 185371508 /nfs/dbraw/zinc/37/15/08/185371508.db2.gz NLCIEIUVSLLCOB-GWCFXTLKSA-N -1 0 305.309 1.395 50 0 DDAARM O=C(Nc1ncccn1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001300139 304017543 /nfs/dbraw/zinc/01/75/43/304017543.db2.gz XULOCAGHKQBTCY-UHFFFAOYSA-N -1 0 322.324 1.696 50 0 DDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000000128421 180702246 /nfs/dbraw/zinc/70/22/46/180702246.db2.gz PEINVNOSCFNBIB-UHFFFAOYSA-N -1 0 308.153 1.154 50 0 DDAARM COc1ccc([C@@H]2SC[C@@H](C(=O)[O-])N2C(C)=O)cc1OC ZINC000004421501 181108793 /nfs/dbraw/zinc/10/87/93/181108793.db2.gz JVXRTJGUSUROLQ-GWCFXTLKSA-N -1 0 311.359 1.751 50 0 DDAARM C/C(=C/C(=O)[O-])C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000004744985 181146816 /nfs/dbraw/zinc/14/68/16/181146816.db2.gz XPTSSWKAOBULBM-KTKRTIGZSA-N -1 0 315.329 1.454 50 0 DDAARM COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCC(=O)[O-] ZINC000005022779 181191925 /nfs/dbraw/zinc/19/19/25/181191925.db2.gz JDOGSPHXDFVRHK-YHYXMXQVSA-N -1 0 308.315 1.297 50 0 DDAARM Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000005800426 181285340 /nfs/dbraw/zinc/28/53/40/181285340.db2.gz JXSPITCHLWFQNQ-UHFFFAOYSA-N -1 0 319.342 1.507 50 0 DDAARM NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1[O-] ZINC000005762782 181281514 /nfs/dbraw/zinc/28/15/14/181281514.db2.gz SIQWFHRCYOEDLH-UHFFFAOYSA-N -1 0 300.101 1.344 50 0 DDAARM CCN1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)CC1=O ZINC000236909746 202067327 /nfs/dbraw/zinc/06/73/27/202067327.db2.gz OUZVJCUPQUDZSP-JSGCOSHPSA-N -1 0 318.373 1.495 50 0 DDAARM CCn1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1=O ZINC000237027883 202127311 /nfs/dbraw/zinc/12/73/11/202127311.db2.gz CJDCSJDAAMWOSZ-WXHSDQCUSA-N -1 0 319.361 1.121 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000237174091 202177208 /nfs/dbraw/zinc/17/72/08/202177208.db2.gz WAWDAZSBAKAKDZ-PPGNKHEKSA-N -1 0 302.330 1.135 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)C1CCN(c2cnccn2)CC1 ZINC000237254680 202206118 /nfs/dbraw/zinc/20/61/18/202206118.db2.gz VBGFDABIOSNMLY-UHFFFAOYSA-N -1 0 306.366 1.016 50 0 DDAARM C[C@@H](CCc1ccccc1F)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237349211 202239699 /nfs/dbraw/zinc/23/96/99/202239699.db2.gz LPHZNFUUYLTDIF-SMDDNHRTSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])C2=O)cc1 ZINC000237392308 202253141 /nfs/dbraw/zinc/25/31/41/202253141.db2.gz QTECFUJPBCZTHM-JSGCOSHPSA-N -1 0 318.373 1.527 50 0 DDAARM O=C([O-])C1(NC(=O)c2cc(N3CCCC3=O)ccc2F)CCC1 ZINC000237965912 202406988 /nfs/dbraw/zinc/40/69/88/202406988.db2.gz RUWYCMPHFPNULB-UHFFFAOYSA-N -1 0 320.320 1.690 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 ZINC000006719958 181376683 /nfs/dbraw/zinc/37/66/83/181376683.db2.gz DBABIDPALZCEAK-UHFFFAOYSA-N -1 0 301.298 1.730 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(Cl)sc1Cl ZINC000224779747 304135483 /nfs/dbraw/zinc/13/54/83/304135483.db2.gz ZGSIPBXXIFWNBI-LURJTMIESA-N -1 0 310.158 1.981 50 0 DDAARM Cc1oc(CN(C)C(=O)c2cccc(=O)n2C)cc1C(=O)[O-] ZINC000262604266 203348297 /nfs/dbraw/zinc/34/82/97/203348297.db2.gz AEBIWLUYRMZXKW-UHFFFAOYSA-N -1 0 304.302 1.257 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1 ZINC000000106157 304153554 /nfs/dbraw/zinc/15/35/54/304153554.db2.gz BLLKGHBDKCMCSU-LBPRGKRZSA-N -1 0 323.395 1.948 50 0 DDAARM O=C([O-])c1cn(-c2cccc(NC(=O)C3CCOCC3)c2)nn1 ZINC000263437337 203468009 /nfs/dbraw/zinc/46/80/09/203468009.db2.gz LSKUTBOBXXQHSP-UHFFFAOYSA-N -1 0 316.317 1.331 50 0 DDAARM Cc1ccc(-c2nnc(CCC(=O)N(C)CCC(=O)[O-])o2)cc1 ZINC000095970530 193466835 /nfs/dbraw/zinc/46/68/35/193466835.db2.gz PRMFPMMQLBOQSH-UHFFFAOYSA-N -1 0 317.345 1.911 50 0 DDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cnn2cccnc12 ZINC000262827117 304161426 /nfs/dbraw/zinc/16/14/26/304161426.db2.gz BZJOGTKNOKQMHX-SCVCMEIPSA-N -1 0 300.318 1.055 50 0 DDAARM O=C([O-])COc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000015685833 182012503 /nfs/dbraw/zinc/01/25/03/182012503.db2.gz DDHSTVKWHMSVBT-STQMWFEESA-N -1 0 301.298 1.606 50 0 DDAARM COc1ccc([C@@H](C)NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020318451 182206489 /nfs/dbraw/zinc/20/64/89/182206489.db2.gz ZBFBVUZSFOAOEB-SECBINFHSA-N -1 0 303.318 1.618 50 0 DDAARM COc1cccc(-c2nc(CC(=O)N[C@@H](C)C(=O)[O-])cs2)c1 ZINC000020720192 182243705 /nfs/dbraw/zinc/24/37/05/182243705.db2.gz JFZHPQSSYVTHKE-VIFPVBQESA-N -1 0 320.370 1.951 50 0 DDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2n[nH]cc2-c2ccccc2)n1 ZINC000020616223 182239001 /nfs/dbraw/zinc/23/90/01/182239001.db2.gz OZCZSGCAEHXYKU-UHFFFAOYSA-N -1 0 311.301 1.761 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Br)c[nH]2)C1 ZINC000022157738 182310935 /nfs/dbraw/zinc/31/09/35/182310935.db2.gz HKIVHEJJCHODMO-SSDOTTSWSA-N -1 0 301.140 1.714 50 0 DDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=S)Nc1ccccc1 ZINC000022405222 182320668 /nfs/dbraw/zinc/32/06/68/182320668.db2.gz YZJAJLZKYPOXCK-LBPRGKRZSA-N -1 0 302.359 1.618 50 0 DDAARM Cc1cc2nnnn2c([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000023017387 182345167 /nfs/dbraw/zinc/34/51/67/182345167.db2.gz RZTZKGGJOJPROK-UHFFFAOYSA-N -1 0 324.753 1.282 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000268985243 304200428 /nfs/dbraw/zinc/20/04/28/304200428.db2.gz PLIYSBAVBACCCP-SNVBAGLBSA-N -1 0 319.235 1.511 50 0 DDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043510126 183368874 /nfs/dbraw/zinc/36/88/74/183368874.db2.gz GNKNNGJYNGHCSO-YMTOWFKASA-N -1 0 313.350 1.670 50 0 DDAARM CCOc1cc(C(=O)NC2CCOCC2)ccc1OCC(=O)[O-] ZINC000268913788 207080794 /nfs/dbraw/zinc/08/07/94/207080794.db2.gz OXZIEPPPGDYOCW-UHFFFAOYSA-N -1 0 323.345 1.458 50 0 DDAARM Cc1cccc(OCCCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000268938810 207103437 /nfs/dbraw/zinc/10/34/37/207103437.db2.gz DBABSOMQKGIIGP-HNNXBMFYSA-N -1 0 321.373 1.856 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000268956329 207120727 /nfs/dbraw/zinc/12/07/27/207120727.db2.gz VNBDKFUSXVATSK-HWKANZROSA-N -1 0 305.330 1.194 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Br)o2)C1 ZINC000062912565 184259371 /nfs/dbraw/zinc/25/93/71/184259371.db2.gz YCQFZOKJBWNPNL-NSHDSACASA-N -1 0 302.124 1.979 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC000062912712 184259457 /nfs/dbraw/zinc/25/94/57/184259457.db2.gz IYRGWAROUUSMEC-CQSZACIVSA-N -1 0 311.359 1.027 50 0 DDAARM O=c1[nH]nc(Cc2nnn[n-]2)n1-c1ccccc1-c1ccccc1 ZINC000065421212 184341700 /nfs/dbraw/zinc/34/17/00/184341700.db2.gz ZPULZUANGOXENB-UHFFFAOYSA-N -1 0 319.328 1.332 50 0 DDAARM C[C@H](CNC(=O)c1ccc2c(c1)NC(=O)CS2)CC(=O)[O-] ZINC000157922980 197227173 /nfs/dbraw/zinc/22/71/73/197227173.db2.gz WXJJMAFCMOZNOR-QMMMGPOBSA-N -1 0 308.359 1.571 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCOc1ccccc1F ZINC000268982730 257256560 /nfs/dbraw/zinc/25/65/60/257256560.db2.gz OFQVPSXDUOVXDR-LBPRGKRZSA-N -1 0 311.309 1.297 50 0 DDAARM CC(=O)c1c(C)nn(CC(=O)N[C@@H](CC(=O)[O-])C(C)C)c1C ZINC000222895145 407560703 /nfs/dbraw/zinc/56/07/03/407560703.db2.gz KRIWSMYMDZLMGR-LBPRGKRZSA-N -1 0 309.366 1.318 50 0 DDAARM CC(=O)Nc1ccc(S(=O)(=O)c2cc(O)ccc2[O-])cc1 ZINC000000289034 406635996 /nfs/dbraw/zinc/63/59/96/406635996.db2.gz OQXREQZOGOFYJC-UHFFFAOYSA-N -1 0 307.327 1.889 50 0 DDAARM CSc1nc([N-]S(=O)(=O)c2ccc(F)cc2F)nn1C ZINC000000141247 406627061 /nfs/dbraw/zinc/62/70/61/406627061.db2.gz FORYBVRAHJFXPM-UHFFFAOYSA-N -1 0 320.346 1.616 50 0 DDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 ZINC000000276488 406637016 /nfs/dbraw/zinc/63/70/16/406637016.db2.gz BNKUFAPLNXFUTK-NEPJUHHUSA-N -1 0 305.330 1.923 50 0 DDAARM CCC[C@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001575973 406673128 /nfs/dbraw/zinc/67/31/28/406673128.db2.gz LDWKLEOJLPWEIE-YPMHNXCESA-N -1 0 322.361 1.671 50 0 DDAARM CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000002983182 406707431 /nfs/dbraw/zinc/70/74/31/406707431.db2.gz GERHSPZWUBRVHB-MQJVFOOVSA-N -1 0 322.336 1.528 50 0 DDAARM CC(C)CN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000009870488 406816012 /nfs/dbraw/zinc/81/60/12/406816012.db2.gz XWWBLXNVFPCEKW-SNVBAGLBSA-N -1 0 308.359 1.655 50 0 DDAARM CNC(=O)Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071284987 406836209 /nfs/dbraw/zinc/83/62/09/406836209.db2.gz QUYPKXORQOBTNJ-OLZOCXBDSA-N -1 0 304.346 1.270 50 0 DDAARM O=C([O-])c1cc(-n2cccn2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071405717 406838334 /nfs/dbraw/zinc/83/83/34/406838334.db2.gz PRUNXTNFEFLZDC-UHFFFAOYSA-N -1 0 321.358 1.355 50 0 DDAARM C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)[O-] ZINC000012946201 406855979 /nfs/dbraw/zinc/85/59/79/406855979.db2.gz CDGSPWQKWAKHGJ-INIZCTEOSA-N -1 0 302.330 1.850 50 0 DDAARM COC(=O)CCCNC(=O)CSc1ccccc1C(=O)[O-] ZINC000025054546 406892751 /nfs/dbraw/zinc/89/27/51/406892751.db2.gz 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/nfs/dbraw/zinc/98/96/71/406989671.db2.gz PARGZCYEIOTURK-BRAIEQGRSA-N -1 0 311.769 1.718 50 0 DDAARM CO[N-]C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000048345877 407095600 /nfs/dbraw/zinc/09/56/00/407095600.db2.gz ATPVCUISXLPVTJ-SNVBAGLBSA-N -1 0 313.151 1.480 50 0 DDAARM CC[C@@H](NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000095348424 407207392 /nfs/dbraw/zinc/20/73/92/407207392.db2.gz FDHAYPZQSUUMPO-SGUJLRQBSA-N -1 0 321.329 1.459 50 0 DDAARM COc1ccccc1CNC(=O)Cc1c(C(=O)[O-])c(C)cn1C ZINC000064980530 407239641 /nfs/dbraw/zinc/23/96/41/407239641.db2.gz VMOYKMXVQSKNRC-UHFFFAOYSA-N -1 0 316.357 1.899 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1Cl ZINC000101675327 407314550 /nfs/dbraw/zinc/31/45/50/407314550.db2.gz LPFKTOJLLWHOJA-VIFPVBQESA-N -1 0 307.697 1.319 50 0 DDAARM CCC[C@H](NC(=O)Cc1ccc(OC)c(F)c1)c1nnn[n-]1 ZINC000096466440 407270017 /nfs/dbraw/zinc/27/00/17/407270017.db2.gz WRFCQCLJHOEGBQ-NSHDSACASA-N -1 0 307.329 1.548 50 0 DDAARM C[C@H](CNC(=O)Cc1ccc(F)c(Br)c1)C(=O)[O-] ZINC000096480528 407270498 /nfs/dbraw/zinc/27/04/98/407270498.db2.gz NYOVZMGHXJKRIS-SSDOTTSWSA-N -1 0 318.142 1.968 50 0 DDAARM COC(C)(C)C(=O)N1CCC(c2cc(CC(=O)[O-])n[nH]2)CC1 ZINC000067690849 407280845 /nfs/dbraw/zinc/28/08/45/407280845.db2.gz AGPZZLTXKUKKLO-UHFFFAOYSA-N -1 0 309.366 1.168 50 0 DDAARM Cc1cnn([C@H](C)c2nc(-c3ccncc3)nn2CC(=O)[O-])c1 ZINC000097532592 407299301 /nfs/dbraw/zinc/29/93/01/407299301.db2.gz DTBQBMHEWPDDML-LLVKDONJSA-N -1 0 312.333 1.539 50 0 DDAARM COC(=O)[C@@H]1C([O-])=C(C(=O)CC[C@@H]2CCCO2)C(=O)CC1(C)C ZINC000100768361 407308324 /nfs/dbraw/zinc/30/83/24/407308324.db2.gz XGEULGNSRGWTSS-GDLCADMTSA-N -1 0 324.373 1.488 50 0 DDAARM C[C@H](CN(C)C(=O)c1ccc(OC(F)F)cc1)c1nnn[n-]1 ZINC000124384238 407356603 /nfs/dbraw/zinc/35/66/03/407356603.db2.gz LIXIHONGFHARKR-MRVPVSSYSA-N -1 0 311.292 1.677 50 0 DDAARM Nc1ccc(S[C@@H]2[C@H]3C[C@H]4[C@@H]2OC(=O)[C@@H]4[C@H]3C(=O)[O-])cc1 ZINC000104188901 407348979 /nfs/dbraw/zinc/34/89/79/407348979.db2.gz HHIQPLWSTYAEPV-VVVXUTRGSA-N -1 0 305.355 1.622 50 0 DDAARM O=C([O-])[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1 ZINC000253496418 407454372 /nfs/dbraw/zinc/45/43/72/407454372.db2.gz UBGPKXCDBYKGFU-XYPYZODXSA-N -1 0 302.330 1.993 50 0 DDAARM CCOc1ccc(C(=O)NCCc2nc([O-])cc(=O)[nH]2)cc1 ZINC000219609747 407531645 /nfs/dbraw/zinc/53/16/45/407531645.db2.gz KBBNJQIMEJMGCG-UHFFFAOYSA-N -1 0 303.318 1.259 50 0 DDAARM CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3cccnc3)cc21 ZINC000227161679 407628654 /nfs/dbraw/zinc/62/86/54/407628654.db2.gz PLPKIEFTGZQQBQ-UHFFFAOYSA-N -1 0 319.342 1.238 50 0 DDAARM O=C([O-])C1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 ZINC000238042847 407876497 /nfs/dbraw/zinc/87/64/97/407876497.db2.gz LBEHDQGLRWEYGK-UHFFFAOYSA-N -1 0 300.318 1.204 50 0 DDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000245245165 407950823 /nfs/dbraw/zinc/95/08/23/407950823.db2.gz BATUTGLUDJGLDN-BIMULSAOSA-N -1 0 305.330 1.299 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(N2CCCNC2=O)c1 ZINC000262926359 407972693 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CC(C)(C)c1ccc(C(=O)NCC(=O)[N-]OC(C)(C)CO)cc1 ZINC000297317354 409911077 /nfs/dbraw/zinc/91/10/77/409911077.db2.gz VXLWLVUGIYTYDA-UHFFFAOYSA-N -1 0 322.405 1.533 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)CN2C(=O)CCc3ccccc32)C1 ZINC000136157441 196523273 /nfs/dbraw/zinc/52/32/73/196523273.db2.gz POLNQYBJKDNDSL-ZDUSSCGKSA-N -1 0 316.357 1.289 50 0 DDAARM CC(C)[C@H](CO)O[N-]C(=O)Cc1csc(-c2ccccn2)n1 ZINC000408520623 418807883 /nfs/dbraw/zinc/80/78/83/418807883.db2.gz OLPZWRUEYQGCIE-ZDUSSCGKSA-N -1 0 321.402 1.812 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000426651355 419525035 /nfs/dbraw/zinc/52/50/35/419525035.db2.gz OPNNODXQKLWDHO-UHFFFAOYSA-N -1 0 315.308 1.258 50 0 DDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 ZINC000299741549 229377820 /nfs/dbraw/zinc/37/78/20/229377820.db2.gz GGWUCFSMQYQHAS-CQSZACIVSA-N -1 0 312.325 1.792 50 0 DDAARM CC(=O)N[C@H](Cc1c(C)[nH]c2c(C)cccc2c1=O)C(=O)[O-] ZINC000067620651 278176147 /nfs/dbraw/zinc/17/61/47/278176147.db2.gz PYZGZZFHCYWESC-CYBMUJFWSA-N -1 0 302.330 1.277 50 0 DDAARM CC(C)[C@@H](NC(=O)CCN1C(=O)COc2ccccc21)C(=O)[O-] ZINC000033520769 279882501 /nfs/dbraw/zinc/88/25/01/279882501.db2.gz CWWPKYKISLVPAI-OAHLLOKOSA-N -1 0 320.345 1.028 50 0 DDAARM COc1cc([O-])c(Cl)c2c1C(=O)[C@]1(O2)C(=O)CC(=O)C[C@@H]1C ZINC000100122102 295004273 /nfs/dbraw/zinc/00/42/73/295004273.db2.gz SXCNFUDOBRUGOV-WDDATRMLSA-N -1 0 324.716 1.936 50 0 DDAARM Cc1cc(C)cc(N2CC[C@H](C(=O)N(C)CCC(=O)[O-])C2=O)c1 ZINC000299748094 301225924 /nfs/dbraw/zinc/22/59/24/301225924.db2.gz FZDYWXFHHLVEOA-CQSZACIVSA-N -1 0 318.373 1.589 50 0 DDAARM Cc1ccc(N2CC[C@H](C(=O)NC[C@@H](C)C(=O)[O-])C2=O)cc1C ZINC000237471091 301629589 /nfs/dbraw/zinc/62/95/89/301629589.db2.gz MWKZKMZSGXOQCG-TZMCWYRMSA-N -1 0 318.373 1.493 50 0 DDAARM NC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000237891541 303257161 /nfs/dbraw/zinc/25/71/61/303257161.db2.gz RIVPSTTVLRIZPT-MRZGDXHCSA-N -1 0 316.357 1.655 50 0 DDAARM Cc1nc2ccc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2nc1C ZINC000532256021 303280360 /nfs/dbraw/zinc/28/03/60/303280360.db2.gz GDMCTFDOMDXZHR-AWEZNQCLSA-N -1 0 315.329 1.172 50 0 DDAARM CCOc1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000388177810 325769869 /nfs/dbraw/zinc/76/98/69/325769869.db2.gz XLTAKIWVJYIHPB-BMWLXYDHSA-N -1 0 305.330 1.411 50 0 DDAARM CC(C)Cc1nc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])no1 ZINC000534630515 334307561 /nfs/dbraw/zinc/30/75/61/334307561.db2.gz VXDUBJZFAVJAJM-NSHDSACASA-N -1 0 305.338 1.003 50 0 DDAARM CCc1nnc(C)cc1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000663123060 484685927 /nfs/dbraw/zinc/68/59/27/484685927.db2.gz JOJLNWDWABLNQU-UHFFFAOYSA-N -1 0 307.350 1.101 50 0 DDAARM O=C([O-])CN(C(=O)C[C@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000299744829 534499521 /nfs/dbraw/zinc/49/95/21/534499521.db2.gz QCZPYGKUILXYRI-GFCCVEGCSA-N -1 0 320.370 1.565 50 0 DDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cnn(CC(C)C)c2C)C1 ZINC000262990912 524018267 /nfs/dbraw/zinc/01/82/67/524018267.db2.gz 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ZINC000236673002 201958727 /nfs/dbraw/zinc/95/87/27/201958727.db2.gz QGEFEDHVYQXRTQ-VIFPVBQESA-N -1 0 324.764 1.672 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccc(F)cc32)c[nH]1 ZINC000071853738 191032662 /nfs/dbraw/zinc/03/26/62/191032662.db2.gz COXWARQTRJMAFJ-UHFFFAOYSA-N -1 0 310.306 1.603 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071771192 191030536 /nfs/dbraw/zinc/03/05/36/191030536.db2.gz CIPHGDFDHRZPBY-UHFFFAOYSA-N -1 0 317.263 1.757 50 0 DDAARM C[C@@H](CN(C(=O)[C@@H]1Cc2cccc(F)c2O1)C1CC1)C(=O)[O-] ZINC000237454545 186291748 /nfs/dbraw/zinc/29/17/48/186291748.db2.gz ATPBXINVJBJCEZ-ZANVPECISA-N -1 0 307.321 1.841 50 0 DDAARM COc1cc(NC(=O)CCc2cnn(C)c2)ccc1C(=O)[O-] ZINC000262883352 186318550 /nfs/dbraw/zinc/31/85/50/186318550.db2.gz HGMPWPSPZLWKBN-UHFFFAOYSA-N -1 0 303.318 1.698 50 0 DDAARM COc1cccc2c1c([N-]S(=O)(=O)c1cn(C)cn1)nn2C ZINC000000147650 352109201 /nfs/dbraw/zinc/10/92/01/352109201.db2.gz SBMRMXNEUVFVNB-UHFFFAOYSA-N -1 0 321.362 1.116 50 0 DDAARM CCCn1c(=O)c2ccc(C(=O)NCCOC)cc2[n-]c1=S ZINC000003043430 352110970 /nfs/dbraw/zinc/11/09/70/352110970.db2.gz QDIVKQSURCDIQY-UHFFFAOYSA-N -1 0 321.402 1.845 50 0 DDAARM COc1ccc2c(c1)C=C(CN1CCO[C@@H](C(=O)[O-])C1)CO2 ZINC000072412318 191155467 /nfs/dbraw/zinc/15/54/67/191155467.db2.gz CYHOVGJASXRNOD-OAHLLOKOSA-N -1 0 305.330 1.256 50 0 DDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc(Cl)c(F)c1 ZINC000001926596 180902038 /nfs/dbraw/zinc/90/20/38/180902038.db2.gz DZHGMNKEFWRXLK-NSHDSACASA-N -1 0 300.717 1.254 50 0 DDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000003864735 181050671 /nfs/dbraw/zinc/05/06/71/181050671.db2.gz DZFXLKMJEOGJLV-VIFPVBQESA-N -1 0 303.767 1.825 50 0 DDAARM Cc1nc2ncc(C(=O)NC3(c4ccccc4)CC3)c(=O)n2[n-]1 ZINC000584899308 354799101 /nfs/dbraw/zinc/79/91/01/354799101.db2.gz IUIBYNRYHOAZEV-UHFFFAOYSA-N -1 0 309.329 1.145 50 0 DDAARM CN(C(=O)[C@H](CC(=O)[O-])NCc1ccco1)c1ccccc1 ZINC000005024279 181192674 /nfs/dbraw/zinc/19/26/74/181192674.db2.gz VDVCXXAPNWWKIR-AWEZNQCLSA-N -1 0 302.330 1.876 50 0 DDAARM CN(CCOc1ccccc1F)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237197108 202184695 /nfs/dbraw/zinc/18/46/95/202184695.db2.gz USRKKLFWPTZYOH-CYBMUJFWSA-N -1 0 324.352 1.212 50 0 DDAARM COc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237252834 202207057 /nfs/dbraw/zinc/20/70/57/202207057.db2.gz YKCNDZNDOCKGCV-WCQYABFASA-N -1 0 306.362 1.421 50 0 DDAARM Cc1nc(C)n(-c2ccc(C(=O)N(CC(=O)[O-])C3CC3)cc2)n1 ZINC000237695985 202329682 /nfs/dbraw/zinc/32/96/82/202329682.db2.gz KOXYZFTZNMXDRO-UHFFFAOYSA-N -1 0 314.345 1.573 50 0 DDAARM Cc1ccc(-n2cc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)nn2)cc1 ZINC000237828902 202365075 /nfs/dbraw/zinc/36/50/75/202365075.db2.gz UCVVWMLNGOQYPS-GFCCVEGCSA-N -1 0 314.345 1.513 50 0 DDAARM Cc1ccc2[nH]cc(CCC(=O)N3CCO[C@@H](C(=O)[O-])C3)c2c1 ZINC000237860481 202373005 /nfs/dbraw/zinc/37/30/05/202373005.db2.gz NFVSQQQWIKCDND-OAHLLOKOSA-N -1 0 316.357 1.721 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2cc(C)nn2C)(C(=O)[O-])C1(C)C ZINC000193042754 200982437 /nfs/dbraw/zinc/98/24/37/200982437.db2.gz PKTFFSYPVFFFNM-ABAIWWIYSA-N -1 0 309.366 1.117 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000238078342 304111192 /nfs/dbraw/zinc/11/11/92/304111192.db2.gz VCDDIUJKPKPTBM-HVHJFMEUSA-N -1 0 311.341 1.961 50 0 DDAARM CCOc1ccc(S(=O)(=O)N(CC)CC(=O)[O-])cc1Cl ZINC000006697511 181371657 /nfs/dbraw/zinc/37/16/57/181371657.db2.gz VXLOXOWGOHKRBE-UHFFFAOYSA-N -1 0 321.782 1.834 50 0 DDAARM CCc1n[nH]cc1C(=O)N1CCC[C@](CCOC)(C(=O)[O-])C1 ZINC000091650652 193084877 /nfs/dbraw/zinc/08/48/77/193084877.db2.gz FLIPXOCDEDJLRA-OAHLLOKOSA-N -1 0 309.366 1.316 50 0 DDAARM COCC1(C(=O)N2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)CC1 ZINC000091931961 193128262 /nfs/dbraw/zinc/12/82/62/193128262.db2.gz XXDONAMQSIFONF-QWHCGFSZSA-N -1 0 304.346 1.135 50 0 DDAARM NC(=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262469890 203302292 /nfs/dbraw/zinc/30/22/92/203302292.db2.gz JEQKFWPWTQXNOL-MJBXVCDLSA-N -1 0 316.357 1.643 50 0 DDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000263300425 203453273 /nfs/dbraw/zinc/45/32/73/203453273.db2.gz DDPCKEGKHNUJHP-WCQYABFASA-N -1 0 321.373 1.867 50 0 DDAARM CS(=O)(=O)CCCC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000095989443 193480963 /nfs/dbraw/zinc/48/09/63/193480963.db2.gz RBTWLRHJMQFLQF-UHFFFAOYSA-N -1 0 305.396 1.057 50 0 DDAARM COc1ccc(CCC(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000011767221 181705246 /nfs/dbraw/zinc/70/52/46/181705246.db2.gz FXBQNSVFWFDYGY-UHFFFAOYSA-N -1 0 321.373 1.960 50 0 DDAARM O=C([O-])c1sccc1S(=O)(=O)NCc1cccs1 ZINC000015424104 182001733 /nfs/dbraw/zinc/00/17/33/182001733.db2.gz ZQCOOKGBHWVBRB-UHFFFAOYSA-N -1 0 303.386 1.986 50 0 DDAARM C[C@@H](Nc1n[nH]c(=S)[n-]c1=O)C(=O)OCc1ccccc1 ZINC000018089721 182092652 /nfs/dbraw/zinc/09/26/52/182092652.db2.gz LDLKUNXNYVANLX-MRVPVSSYSA-N -1 0 306.347 1.784 50 0 biogenic,in-vitro DDAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2SCCc3sccc32)CCO1 ZINC000299748533 304197956 /nfs/dbraw/zinc/19/79/56/304197956.db2.gz HJVMOVSISSAOSS-KOLCDFICSA-N -1 0 313.400 1.391 50 0 DDAARM NC1=NC(=O)C(CCC[C@@H](C(=O)[O-])c2cccs2)C(=O)N1 ZINC000039438679 183018229 /nfs/dbraw/zinc/01/82/29/183018229.db2.gz QWXDGHFNFKILPT-SSDOTTSWSA-N -1 0 309.347 1.723 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)c[nH]1 ZINC000071853737 304226996 /nfs/dbraw/zinc/22/69/96/304226996.db2.gz TZEKVNLJAIMRST-UHFFFAOYSA-N -1 0 324.333 1.994 50 0 DDAARM Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2n[nH]c(=O)[n-]2)c1C ZINC000055182968 183969687 /nfs/dbraw/zinc/96/96/87/183969687.db2.gz UVMIZCJOXZNLGF-NSHDSACASA-N -1 0 304.350 1.279 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000268951274 207115395 /nfs/dbraw/zinc/11/53/95/207115395.db2.gz QNJDTLPQIDADOR-UONOGXRCSA-N -1 0 317.320 1.391 50 0 DDAARM COc1ccc(CCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1F ZINC000269000176 207156397 /nfs/dbraw/zinc/15/63/97/207156397.db2.gz YCHWRPZHQCTIFG-GFCCVEGCSA-N -1 0 311.309 1.079 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(N3CCCC3=O)c2)C1 ZINC000269055515 207205542 /nfs/dbraw/zinc/20/55/42/207205542.db2.gz XIBJDNXKSJALSR-KRWDZBQOSA-N -1 0 316.357 1.750 50 0 DDAARM O=C([O-])c1nnn(-c2ccc3c(c2)OCO3)c1-c1ccncc1 ZINC000062267588 184226579 /nfs/dbraw/zinc/22/65/79/184226579.db2.gz VYUQBFNZARWWAR-UHFFFAOYSA-N -1 0 310.269 1.756 50 0 DDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000269082808 207229638 /nfs/dbraw/zinc/22/96/38/207229638.db2.gz IHVVUCXSHDMRAX-SMDDNHRTSA-N -1 0 324.352 1.131 50 0 DDAARM Cc1ccc(NC(=O)c2c([O-])c3cnn(C)c3[nH]c2=O)cc1C ZINC000065249829 184318884 /nfs/dbraw/zinc/31/88/84/184318884.db2.gz HWJYXESIKZEASJ-UHFFFAOYSA-N -1 0 312.329 1.836 50 0 DDAARM Cc1nc(C)c(C(=O)N(CCC(=O)[O-])C2CCOCC2)s1 ZINC000237600026 257238677 /nfs/dbraw/zinc/23/86/77/257238677.db2.gz FYHKHBASEUFJFB-UHFFFAOYSA-N -1 0 312.391 1.856 50 0 DDAARM COc1ccc2oc(C(=O)N3CCOC[C@@H]3C(=O)[O-])c(C)c2c1 ZINC000299747840 533353599 /nfs/dbraw/zinc/35/35/99/533353599.db2.gz FHWPRFUSLUHQOT-GFCCVEGCSA-N -1 0 319.313 1.675 50 0 DDAARM O=C([O-])c1c(I)cnn1CC(F)F ZINC000223251506 407564018 /nfs/dbraw/zinc/56/40/18/407564018.db2.gz AWQLFQRJACUBJD-UHFFFAOYSA-N -1 0 302.018 1.451 50 0 DDAARM CC(=O)Nc1ccc(OC(=O)C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001470480 406671260 /nfs/dbraw/zinc/67/12/60/406671260.db2.gz NJMPCMBAQQCJGR-SNVBAGLBSA-N -1 0 308.315 1.292 50 0 DDAARM O=C([O-])CCCNC(=O)COc1ccc2ccc(=O)oc2c1 ZINC000001793738 406678844 /nfs/dbraw/zinc/67/88/44/406678844.db2.gz IBRXEPKZOZXSQI-UHFFFAOYSA-N -1 0 305.286 1.153 50 0 biogenic DDAARM CO[C@@H](C(=O)[N-]S(=O)(=O)c1cccnc1)c1ccccc1 ZINC000069573239 406737328 /nfs/dbraw/zinc/73/73/28/406737328.db2.gz PGQGSGLKSMHIOP-CYBMUJFWSA-N -1 0 306.343 1.274 50 0 DDAARM CCC(=O)Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21 ZINC000008970065 406800906 /nfs/dbraw/zinc/80/09/06/406800906.db2.gz GPXPQTOBDZZKTB-UHFFFAOYSA-N -1 0 311.345 1.964 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000071285433 406835586 /nfs/dbraw/zinc/83/55/86/406835586.db2.gz TYCBEKVUELNSMY-CHWSQXEVSA-N -1 0 316.357 1.874 50 0 DDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000071282943 406835982 /nfs/dbraw/zinc/83/59/82/406835982.db2.gz IIPLLTFRYQHRGG-CHWSQXEVSA-N -1 0 314.345 1.622 50 0 DDAARM Cc1noc(C)c1NC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C ZINC000071856833 406853860 /nfs/dbraw/zinc/85/38/60/406853860.db2.gz JGMVRCOKEJTNKJ-UHFFFAOYSA-N -1 0 315.333 1.425 50 0 DDAARM CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000013255248 406859425 /nfs/dbraw/zinc/85/94/25/406859425.db2.gz VNKNTAYQELMPHE-STQMWFEESA-N -1 0 323.370 1.696 50 0 DDAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCC(O)CC2)c1 ZINC000013248423 406859961 /nfs/dbraw/zinc/85/99/61/406859961.db2.gz WHVMFMMCEDZAKS-UHFFFAOYSA-N -1 0 319.766 1.184 50 0 DDAARM Cc1c(C(=O)N2N=C2SCC(=O)[O-])sc(=S)n1C ZINC000013693459 406865647 /nfs/dbraw/zinc/86/56/47/406865647.db2.gz PXRWYHQYRVWUEW-UHFFFAOYSA-N -1 0 303.390 1.669 50 0 DDAARM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2CCCn2ccnc2)o1 ZINC000072275661 406877372 /nfs/dbraw/zinc/87/73/72/406877372.db2.gz ZZDOPXZVKXNTMX-DOMZBBRYSA-N -1 0 317.345 1.849 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(F)c1 ZINC000036293858 406978547 /nfs/dbraw/zinc/97/85/47/406978547.db2.gz OMDHWAJJVRHXEM-CQSZACIVSA-N -1 0 323.345 1.800 50 0 DDAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3nncn3n2)c1 ZINC000033277228 406960980 /nfs/dbraw/zinc/96/09/80/406960980.db2.gz NLUHRXVBKNFQAR-UHFFFAOYSA-N -1 0 303.347 1.542 50 0 DDAARM O=c1c2cc3c(cc2[n-]c(=S)n1C[C@H]1CCCO1)OCO3 ZINC000040478802 407003415 /nfs/dbraw/zinc/00/34/15/407003415.db2.gz TUUPLJQGWZTQIX-MRVPVSSYSA-N -1 0 306.343 1.967 50 0 DDAARM CC(C)(C)[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)C(=O)[O-] ZINC000089621426 407141905 /nfs/dbraw/zinc/14/19/05/407141905.db2.gz BLDVHSHGOOQABE-ZDUSSCGKSA-N -1 0 321.377 1.814 50 0 DDAARM CC(C)[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)[O-] ZINC000096402424 407259778 /nfs/dbraw/zinc/25/97/78/407259778.db2.gz DLGWHNFHPXKXGV-CQSZACIVSA-N -1 0 301.346 1.770 50 0 DDAARM CC[C@H](Nc1cccc(OC)c1)C(=O)NCCCc1nnn[n-]1 ZINC000055183197 407196844 /nfs/dbraw/zinc/19/68/44/407196844.db2.gz GBGITYZCHUVYDV-ZDUSSCGKSA-N -1 0 318.381 1.148 50 0 DDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)CSc1ccncc1 ZINC000055281809 407199553 /nfs/dbraw/zinc/19/95/53/407199553.db2.gz QSYSTCQSTQFOLZ-UHFFFAOYSA-N -1 0 320.374 1.710 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC000055358495 407202184 /nfs/dbraw/zinc/20/21/84/407202184.db2.gz DYFJUWCTLDAMHS-GFCCVEGCSA-N -1 0 322.336 1.269 50 0 DDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)no2)c1 ZINC000057823586 407217159 /nfs/dbraw/zinc/21/71/59/407217159.db2.gz GGEXUYWIHHTORV-UHFFFAOYSA-N -1 0 310.331 1.735 50 0 DDAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C3CC3)C2)c1 ZINC000095989552 407221427 /nfs/dbraw/zinc/22/14/27/407221427.db2.gz NNVBGKFRCXTWBH-MCIONIFRSA-N -1 0 303.362 1.791 50 0 DDAARM O=C1NCCCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21 ZINC000065258642 407241359 /nfs/dbraw/zinc/24/13/59/407241359.db2.gz AWOVAAIDPGEEMZ-UHFFFAOYSA-N -1 0 323.349 1.562 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n1 ZINC000122976257 407316209 /nfs/dbraw/zinc/31/62/09/407316209.db2.gz WZCAWFQMQLHZPC-KOLCDFICSA-N -1 0 321.283 1.988 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)no1 ZINC000096448159 407268103 /nfs/dbraw/zinc/26/81/03/407268103.db2.gz AXOGBFGQDMELGB-UHFFFAOYSA-N -1 0 306.299 1.890 50 0 DDAARM O=S(=O)([N-]c1cncnc1-n1cccn1)c1ccccc1 ZINC000097379402 407292847 /nfs/dbraw/zinc/29/28/47/407292847.db2.gz ZZDZBHZEPCBSGM-UHFFFAOYSA-N -1 0 301.331 1.463 50 0 DDAARM CCOC(=O)c1ccc(Nc2n[n-]c3nc(C)cc(=O)n23)cc1 ZINC000100975922 407308845 /nfs/dbraw/zinc/30/88/45/407308845.db2.gz XALMIBWLNZLGFZ-UHFFFAOYSA-N -1 0 313.317 1.646 50 0 DDAARM Cc1cc(C)c(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c(C)c1 ZINC000124716649 407367145 /nfs/dbraw/zinc/36/71/45/407367145.db2.gz FLIRNXKKGVITRI-CYBMUJFWSA-N -1 0 301.394 1.930 50 0 DDAARM Cc1nc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1C ZINC000195574190 407466936 /nfs/dbraw/zinc/46/69/36/407466936.db2.gz FFXNSEIRWBYLMO-VXGBXAGGSA-N -1 0 314.455 1.127 50 0 DDAARM COC(=O)[C@]1(F)CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000170647853 407462904 /nfs/dbraw/zinc/46/29/04/407462904.db2.gz XALDGJBJJMQXMN-AWEZNQCLSA-N -1 0 324.333 1.844 50 0 DDAARM CC(C)N1C[C@H](C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)CC1=O ZINC000236596146 407729046 /nfs/dbraw/zinc/72/90/46/407729046.db2.gz KEYOIPPZXHVUHS-KGLIPLIRSA-N -1 0 318.373 1.576 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)CCc2cc(F)ccc2F)CCO1 ZINC000238047178 407879222 /nfs/dbraw/zinc/87/92/22/407879222.db2.gz JHPHLSROSYXFPC-LBPRGKRZSA-N -1 0 313.300 1.600 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cn(-c2ccc(F)cc2)nn1 ZINC000238086385 407885782 /nfs/dbraw/zinc/88/57/82/407885782.db2.gz HCNMHBMGAFYXJB-GFCCVEGCSA-N -1 0 304.281 1.096 50 0 DDAARM CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1C ZINC000262814045 407945203 /nfs/dbraw/zinc/94/52/03/407945203.db2.gz PKENMQIWLOABAY-RISCZKNCSA-N -1 0 322.361 1.444 50 0 DDAARM CCO[C@@H]1C[C@@](NC(=O)c2cc[nH]c(=O)c2)(C(=O)[O-])C1(C)C ZINC000262781608 407928258 /nfs/dbraw/zinc/92/82/58/407928258.db2.gz JDLFBCFQQCFPJO-MEBBXXQBSA-N -1 0 308.334 1.175 50 0 DDAARM C[C@H]1CCCN(Cc2nc(N)c3ccccc3n2)[C@@H]1C(=O)[O-] ZINC000263039482 408008316 /nfs/dbraw/zinc/00/83/16/408008316.db2.gz IODPEYDGKTYLAJ-HZMBPMFUSA-N -1 0 300.362 1.897 50 0 DDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cn1ncc2ccccc21 ZINC000263217381 408062010 /nfs/dbraw/zinc/06/20/10/408062010.db2.gz OJCYMEQWGZOQSQ-WCQYABFASA-N -1 0 301.346 1.748 50 0 DDAARM COc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1Cl ZINC000263304356 408097680 /nfs/dbraw/zinc/09/76/80/408097680.db2.gz OCVPQWCEYHLIFP-JTQLQIEISA-N -1 0 313.737 1.664 50 0 DDAARM CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000191163760 408378891 /nfs/dbraw/zinc/37/88/91/408378891.db2.gz UPLARKFEDRYWPI-WDEREUQCSA-N -1 0 320.370 1.887 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2COc3ccccc3C2)n1 ZINC000178222400 408789473 /nfs/dbraw/zinc/78/94/73/408789473.db2.gz RYOGYVRYDUTSKI-LLVKDONJSA-N -1 0 301.302 1.158 50 0 DDAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCCOCC(C)C ZINC000169115989 408819905 /nfs/dbraw/zinc/81/99/05/408819905.db2.gz FTEORVRUUPXOMW-UHFFFAOYSA-N -1 0 315.391 1.644 50 0 DDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccncc1Br ZINC000262910870 163892698 /nfs/dbraw/zinc/89/26/98/163892698.db2.gz NCZINLJHYSJWSL-SCZZXKLOSA-N -1 0 313.151 1.827 50 0 DDAARM Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)cc1 ZINC000263554833 163984282 /nfs/dbraw/zinc/98/42/82/163984282.db2.gz NPIURRBNZJZPRI-GFCCVEGCSA-N -1 0 319.361 1.392 50 0 DDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2ncncc2C1 ZINC000647733950 423020125 /nfs/dbraw/zinc/02/01/25/423020125.db2.gz KQNMMZUHRXKEAN-TZMCWYRMSA-N -1 0 317.389 1.827 50 0 DDAARM COc1cccc([C@@H](C)C(=O)Nc2ncn(CC(=O)[O-])n2)c1 ZINC000647782583 423047557 /nfs/dbraw/zinc/04/75/57/423047557.db2.gz SWWQDKBAQXBXNP-SECBINFHSA-N -1 0 304.306 1.114 50 0 DDAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000069674835 418488399 /nfs/dbraw/zinc/48/83/99/418488399.db2.gz WEVVDAMWCSQRJG-UHFFFAOYSA-N -1 0 300.771 1.886 50 0 DDAARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1ncoc1-c1ccccc1 ZINC000113699061 418501480 /nfs/dbraw/zinc/50/14/80/418501480.db2.gz WUPQKUYJFVSUEP-JTQLQIEISA-N -1 0 324.358 1.436 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000119571418 418502956 /nfs/dbraw/zinc/50/29/56/418502956.db2.gz LHUJEUCEQLUDKK-BBRMVZONSA-N -1 0 304.346 1.939 50 0 DDAARM Cc1ccc(CCC(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C ZINC000222974265 418562062 /nfs/dbraw/zinc/56/20/62/418562062.db2.gz LIFYDLOOERVHRW-OAHLLOKOSA-N -1 0 305.374 1.938 50 0 DDAARM Cc1nonc1CN1CCC[C@H](c2ccnn2CC(=O)[O-])C1 ZINC000426589934 419514778 /nfs/dbraw/zinc/51/47/78/419514778.db2.gz FVCUJUQRTPOKBQ-NSHDSACASA-N -1 0 305.338 1.039 50 0 DDAARM COc1cccc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])oc21 ZINC000299750956 229394053 /nfs/dbraw/zinc/39/40/53/229394053.db2.gz OWKPKHRHRPMEMW-JTQLQIEISA-N -1 0 305.286 1.367 50 0 DDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(C(C)(C)C)on1 ZINC000643852247 423379953 /nfs/dbraw/zinc/37/99/53/423379953.db2.gz YQOGEHDSWZDJDS-OAHLLOKOSA-N -1 0 310.350 1.678 50 0 DDAARM CCOc1ccccc1/C=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000321585673 271028180 /nfs/dbraw/zinc/02/81/80/271028180.db2.gz JSXSBUUEMZASTR-WBTMPAOCSA-N -1 0 319.357 1.801 50 0 DDAARM CC(C)Oc1cccc(/C=C\C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000492158016 279729031 /nfs/dbraw/zinc/72/90/31/279729031.db2.gz VPMZEECOAVTICN-XHPSBEMXSA-N -1 0 319.357 1.799 50 0 DDAARM Cc1ccc(Cl)cc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088376973 301601150 /nfs/dbraw/zinc/60/11/50/301601150.db2.gz TUSOUCPDBUQAOH-SNVBAGLBSA-N -1 0 319.766 1.123 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)N3CCCC3)CC2)c1 ZINC000072422573 302398755 /nfs/dbraw/zinc/39/87/55/302398755.db2.gz HLBFIKTZJVBZGI-UHFFFAOYSA-N -1 0 306.366 1.283 50 0 DDAARM Cc1nccn1CCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000244692002 302714531 /nfs/dbraw/zinc/71/45/31/302714531.db2.gz JMSWULAQQDQJFZ-OAHLLOKOSA-N -1 0 313.357 1.620 50 0 DDAARM NC(=O)[C@@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2ccc(Cl)cc21 ZINC000020745401 303300259 /nfs/dbraw/zinc/30/02/59/303300259.db2.gz JTLBHLHMNBXTSI-QWHCGFSZSA-N -1 0 321.764 1.897 50 0 DDAARM C[C@@H](CN(C(=O)Cn1ncc2ccccc21)C1CC1)C(=O)[O-] ZINC000195551933 325714648 /nfs/dbraw/zinc/71/46/48/325714648.db2.gz OQCOILCKCUVVEG-NSHDSACASA-N -1 0 301.346 1.748 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@@H](C)Cc2cc(C)n[nH]2)c1 ZINC000534650923 334311963 /nfs/dbraw/zinc/31/19/63/334311963.db2.gz XOISWHDTNMLCDV-VIFPVBQESA-N -1 0 317.345 1.786 50 0 DDAARM Cc1cc2c(cc1C)[C@@H](C(=O)N1CCOC[C@@H]1CC(=O)[O-])CO2 ZINC000263518314 484275946 /nfs/dbraw/zinc/27/59/46/484275946.db2.gz FUYQEVKJWOKRAI-JSGCOSHPSA-N -1 0 319.357 1.482 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659201018 484683982 /nfs/dbraw/zinc/68/39/82/484683982.db2.gz RNUCFMDTGJOVQH-UHFFFAOYSA-N -1 0 305.338 1.305 50 0 DDAARM CCOc1ccc2c(c1)C[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])CO2 ZINC000299741786 528621883 /nfs/dbraw/zinc/62/18/83/528621883.db2.gz GCFJKDALVLJVBF-GXTWGEPZSA-N -1 0 319.357 1.712 50 0 DDAARM O=C([O-])CCCNC(=O)NCc1ccc(OCC2CC2)nc1 ZINC000262896414 698483780 /nfs/dbraw/zinc/48/37/80/698483780.db2.gz CKRLVJKCGSBEBA-UHFFFAOYSA-N -1 0 307.350 1.534 50 0 DDAARM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1sc(N(C)C)nc1C ZINC000585086533 771934517 /nfs/dbraw/zinc/93/45/17/771934517.db2.gz DGHWHGQRKOQHBC-QMMMGPOBSA-N -1 0 319.452 1.759 50 0 DDAARM Cc1cc(O)c([C@@H](CC(=O)[O-])c2ccnn2C(C)C)c(=O)[nH]1 ZINC000095479263 185373491 /nfs/dbraw/zinc/37/34/91/185373491.db2.gz MDOUIPMLZXCGKN-JTQLQIEISA-N -1 0 305.334 1.773 50 0 DDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc2c1OCCO2 ZINC000315095351 539295064 /nfs/dbraw/zinc/29/50/64/539295064.db2.gz MXZKIQSEWVGXIB-NSHDSACASA-N -1 0 305.330 1.927 50 0 DDAARM CN(CCCC(=O)[O-])C(=O)C1=NN(c2ccccc2)C(=O)CC1 ZINC000095389879 185351089 /nfs/dbraw/zinc/35/10/89/185351089.db2.gz PYGYTAFKNUKQHJ-UHFFFAOYSA-N -1 0 317.345 1.493 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cnn(-c2ccccc2)n1 ZINC000095424875 185361358 /nfs/dbraw/zinc/36/13/58/185361358.db2.gz RONCOGBMCXFVDC-HNNXBMFYSA-N -1 0 302.334 1.641 50 0 DDAARM O=C([O-])CCN(CC1CC1)C(=O)CCc1nc(C2CC2)no1 ZINC000095424468 185361399 /nfs/dbraw/zinc/36/13/99/185361399.db2.gz VMFJSDCPNCTPLF-UHFFFAOYSA-N -1 0 307.350 1.593 50 0 DDAARM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)[N-]OCc1ccccc1 ZINC000102908951 185425775 /nfs/dbraw/zinc/42/57/75/185425775.db2.gz MJDAQRNEENJXJR-OKILXGFUSA-N -1 0 316.357 1.410 50 0 DDAARM Cn1nnc2cc(C(=O)NC3(C(=O)[O-])CCCCC3)ccc21 ZINC000070017795 190850381 /nfs/dbraw/zinc/85/03/81/190850381.db2.gz XQDOGDDFZXNPAS-UHFFFAOYSA-N -1 0 302.334 1.486 50 0 DDAARM CNC(=O)c1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)ccc1Cl ZINC000071288302 190953212 /nfs/dbraw/zinc/95/32/12/190953212.db2.gz DWJOPUYCVKDLCS-MNOVXSKESA-N -1 0 324.764 1.995 50 0 DDAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000072274554 191096806 /nfs/dbraw/zinc/09/68/06/191096806.db2.gz XNYWARWBFLXSHB-AWEZNQCLSA-N -1 0 303.358 1.810 50 0 DDAARM COC(=O)[C@H]([N-]S(=O)(=O)Cc1cc(C)no1)c1ccccc1 ZINC000072301869 191115337 /nfs/dbraw/zinc/11/53/37/191115337.db2.gz CBOUIOKPQDLSGX-CYBMUJFWSA-N -1 0 324.358 1.317 50 0 DDAARM Cc1cccc(OCCCCC(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC000072311730 191119871 /nfs/dbraw/zinc/11/98/71/191119871.db2.gz SYEUZYAXBDKOQQ-UHFFFAOYSA-N -1 0 304.350 1.272 50 0 DDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cccs2)CC1 ZINC000072423208 191158973 /nfs/dbraw/zinc/15/89/73/191158973.db2.gz GKXBJMLMDFJKPX-UHFFFAOYSA-N -1 0 305.359 1.661 50 0 DDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000000166218 180712853 /nfs/dbraw/zinc/71/28/53/180712853.db2.gz RYNZZKHRKJIGHR-JTQLQIEISA-N -1 0 323.292 1.943 50 0 DDAARM O=C([O-])CCNS(=O)(=O)c1ccccc1Br ZINC000003355928 181010893 /nfs/dbraw/zinc/01/08/93/181010893.db2.gz ZEWPLGSMFCYFBR-UHFFFAOYSA-N -1 0 308.153 1.202 50 0 DDAARM COc1cc(CN[C@H](C)c2ncnn2C)ccc1OCC(=O)[O-] ZINC000584900539 354799963 /nfs/dbraw/zinc/79/99/63/354799963.db2.gz IJHPWGZOKURDID-SNVBAGLBSA-N -1 0 320.349 1.138 50 0 DDAARM CCS[C@H](C)C[C@@H]1CC(=O)C(C(C)=O)=C([O-])[C@@H]1C(=O)OC ZINC000584904296 354802424 /nfs/dbraw/zinc/80/24/24/354802424.db2.gz RDANDEOJKSBVOQ-PIEOMLNGSA-N -1 0 314.403 1.671 50 0 DDAARM CCS[C@H](C)C[C@@H]1CC(=O)C(C(C)=O)=C([O-])[C@H]1C(=O)OC ZINC000584904295 354802470 /nfs/dbraw/zinc/80/24/70/354802470.db2.gz RDANDEOJKSBVOQ-JBYGLJPXSA-N -1 0 314.403 1.671 50 0 DDAARM CCc1nc(=N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2O)s[n-]1 ZINC000585142487 354815402 /nfs/dbraw/zinc/81/54/02/354815402.db2.gz XDMQFAFLGKMEAU-RKDXNWHRSA-N -1 0 321.406 1.698 50 0 DDAARM O=C([O-])C[S@@](=O)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000005511593 181251674 /nfs/dbraw/zinc/25/16/74/181251674.db2.gz WNTIKQJCPFTHAW-GOSISDBHSA-N -1 0 310.158 1.765 50 0 DDAARM Cc1cc(=O)oc(C)c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000005732028 181278400 /nfs/dbraw/zinc/27/84/00/181278400.db2.gz BZFGXOPHQDZQOB-CYBMUJFWSA-N -1 0 315.325 1.682 50 0 DDAARM CNC(=O)c1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237174495 202176652 /nfs/dbraw/zinc/17/66/52/202176652.db2.gz DMSXUEAODVMMOI-JZLODUJNSA-N -1 0 316.357 1.383 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000237648292 202317272 /nfs/dbraw/zinc/31/72/72/202317272.db2.gz RWDMIJDQNKIPHA-ZBEGNZNMSA-N -1 0 308.378 1.101 50 0 DDAARM Cn1cc(-c2nc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cs2)cn1 ZINC000237715705 202337295 /nfs/dbraw/zinc/33/72/95/202337295.db2.gz GAPRRUVYBNUWQC-VIFPVBQESA-N -1 0 320.374 1.480 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000238068898 202433439 /nfs/dbraw/zinc/43/34/39/202433439.db2.gz GUCWLGXCKINCMT-AWEZNQCLSA-N -1 0 316.357 1.432 50 0 DDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000238079142 202436848 /nfs/dbraw/zinc/43/68/48/202436848.db2.gz ORQPMBQFCNFEQY-VIFPVBQESA-N -1 0 318.251 1.712 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000262442560 203295442 /nfs/dbraw/zinc/29/54/42/203295442.db2.gz GHCVJDNIDVDLMU-UHFFFAOYSA-N -1 0 313.737 1.157 50 0 DDAARM O=C([O-])C1CCC(NC(=O)CN2Cc3ccccc3C2=O)CC1 ZINC000262678181 203377220 /nfs/dbraw/zinc/37/72/20/203377220.db2.gz UUFFBSZDGDWCTI-UHFFFAOYSA-N -1 0 316.357 1.402 50 0 DDAARM CCO[C@@H]1C[C@](NC(=O)c2ccc(OC)nc2)(C(=O)[O-])C1(C)C ZINC000262686379 203382844 /nfs/dbraw/zinc/38/28/44/203382844.db2.gz ARGONDOFBUGCGL-BZNIZROVSA-N -1 0 322.361 1.478 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000263438975 203467537 /nfs/dbraw/zinc/46/75/37/203467537.db2.gz PGVSUOVKWKXCGQ-GFCCVEGCSA-N -1 0 314.345 1.529 50 0 DDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCOCC1 ZINC000095948668 193455477 /nfs/dbraw/zinc/45/54/77/193455477.db2.gz XHGISWSODCFNAS-OAHLLOKOSA-N -1 0 316.357 1.706 50 0 DDAARM CCOCCCNS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000013076440 181826184 /nfs/dbraw/zinc/82/61/84/181826184.db2.gz TYWXGNIFCNICBW-UHFFFAOYSA-N -1 0 301.364 1.398 50 0 DDAARM COC1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000013454932 181852005 /nfs/dbraw/zinc/85/20/05/181852005.db2.gz HVBVUELNFKUERO-UHFFFAOYSA-N -1 0 305.377 1.246 50 0 DDAARM CC[C@H](C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000016033154 182030520 /nfs/dbraw/zinc/03/05/20/182030520.db2.gz NNAVQIWUUVVGGV-TVQRCGJNSA-N -1 0 305.334 1.654 50 0 DDAARM COc1ccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000018094179 182092934 /nfs/dbraw/zinc/09/29/34/182092934.db2.gz YMQHXEMFAIZWSC-UHFFFAOYSA-N -1 0 306.347 1.625 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000491926110 304176737 /nfs/dbraw/zinc/17/67/37/304176737.db2.gz PIAFMJQZUOMCFK-SCXUMTSISA-N -1 0 317.341 1.937 50 0 DDAARM COc1cccc(-c2nc(CC(=O)NCC(=O)[O-])cs2)c1 ZINC000020724750 182244636 /nfs/dbraw/zinc/24/46/36/182244636.db2.gz ZATARHFUFXWPPS-UHFFFAOYSA-N -1 0 306.343 1.562 50 0 DDAARM Cn1nnnc1-c1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000032771975 182661470 /nfs/dbraw/zinc/66/14/70/182661470.db2.gz WUYPBUFMPHVARN-UHFFFAOYSA-N -1 0 317.349 1.707 50 0 DDAARM O=C([O-])COCc1nnc(C(=O)Nc2cccc(F)c2)s1 ZINC000034927199 182745222 /nfs/dbraw/zinc/74/52/22/182745222.db2.gz CHDRUARJHSCLKB-UHFFFAOYSA-N -1 0 311.294 1.531 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1c(F)cccc1Cl ZINC000088375044 304199471 /nfs/dbraw/zinc/19/94/71/304199471.db2.gz KJRMNZHHCYQOBM-LLVKDONJSA-N -1 0 301.701 1.334 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cnc(-c3ccsc3)s2)CCO1 ZINC000238131204 248572685 /nfs/dbraw/zinc/57/26/85/248572685.db2.gz TVSPJUDJGUGRRV-SECBINFHSA-N -1 0 324.383 1.797 50 0 DDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCCCn1ccnc1 ZINC000039349688 183016991 /nfs/dbraw/zinc/01/69/91/183016991.db2.gz HNSLYXUHSVULQH-NWINJMCUSA-N -1 0 305.378 1.526 50 0 DDAARM COc1cccc(CO[C@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000268935848 207100503 /nfs/dbraw/zinc/10/05/03/207100503.db2.gz GZNSVJVPIQLALV-TZMCWYRMSA-N -1 0 321.373 1.924 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)CCOCc2ccccc2)CCO1 ZINC000268939884 207104539 /nfs/dbraw/zinc/10/45/39/207104539.db2.gz DSUGMSDANKMKFT-CQSZACIVSA-N -1 0 307.346 1.295 50 0 DDAARM CC[C@]1(c2ccc(OC)c(C)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842189 184056445 /nfs/dbraw/zinc/05/64/45/184056445.db2.gz PCYLZKLKJWMXNB-OAHLLOKOSA-N -1 0 306.318 1.245 50 0 DDAARM Cn1ncc2c1[nH]c(=O)c(C(=O)Nc1cccc(F)c1)c2[O-] ZINC000065249845 184318433 /nfs/dbraw/zinc/31/84/33/184318433.db2.gz AVYBAOYAULJSQA-UHFFFAOYSA-N -1 0 302.265 1.359 50 0 DDAARM COc1cccc(-c2cc(CN3C[C@@H](C(=O)[O-])CC3=O)no2)c1 ZINC000065393794 184334875 /nfs/dbraw/zinc/33/48/75/184334875.db2.gz DMQQYNGMOUJFPJ-NSHDSACASA-N -1 0 316.313 1.783 50 0 DDAARM O=C([O-])c1cccc(CC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000263296285 304259126 /nfs/dbraw/zinc/25/91/26/304259126.db2.gz SNQMXUKIDVXGFL-WMLDXEAASA-N -1 0 319.357 1.382 50 0 DDAARM O=C([O-])c1cccc(N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n1 ZINC000263430419 304262665 /nfs/dbraw/zinc/26/26/65/304262665.db2.gz SPDQPNVGCAMFPK-NWDGAFQWSA-N -1 0 311.341 1.565 50 0 DDAARM COc1ccc2oc(C)c(C(=O)N3CCO[C@H](C(=O)[O-])C3)c2c1 ZINC000299749941 533353906 /nfs/dbraw/zinc/35/39/06/533353906.db2.gz MECITYXCRVFUFF-ZDUSSCGKSA-N -1 0 319.313 1.675 50 0 DDAARM CC(=O)c1c(C)nn(CC(=O)N[C@H](CC(=O)[O-])C(C)C)c1C ZINC000222895207 407562348 /nfs/dbraw/zinc/56/23/48/407562348.db2.gz KRIWSMYMDZLMGR-GFCCVEGCSA-N -1 0 309.366 1.318 50 0 DDAARM COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])c2ccccc12 ZINC000000141506 406627117 /nfs/dbraw/zinc/62/71/17/406627117.db2.gz JOQZEDOWCDROMG-UHFFFAOYSA-N -1 0 309.343 1.554 50 0 DDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C1CC1 ZINC000000204346 406632552 /nfs/dbraw/zinc/63/25/52/406632552.db2.gz TWFMRWXFNNAXAV-UHFFFAOYSA-N -1 0 318.358 1.626 50 0 DDAARM CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001056886 406662212 /nfs/dbraw/zinc/66/22/12/406662212.db2.gz CCULWTWZTGCKLB-SNVBAGLBSA-N -1 0 322.342 1.544 50 0 DDAARM CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000003238172 406714789 /nfs/dbraw/zinc/71/47/89/406714789.db2.gz VUZKYVOQAJWYHX-LLVKDONJSA-N -1 0 313.375 1.571 50 0 DDAARM CC(C)C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)C(=O)[O-] ZINC000071328956 406837759 /nfs/dbraw/zinc/83/77/59/406837759.db2.gz PXMOFKLSGOOJRU-CYBMUJFWSA-N -1 0 317.345 1.012 50 0 DDAARM O=C(c1ccc([O-])c(Cl)c1)N1CCN(c2ncccn2)CC1 ZINC000012922050 406855861 /nfs/dbraw/zinc/85/58/61/406855861.db2.gz MLDQJRCMPGSEJJ-UHFFFAOYSA-N -1 0 318.764 1.798 50 0 DDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CCCO2)cc1OC ZINC000013183650 406859083 /nfs/dbraw/zinc/85/90/83/406859083.db2.gz AGWCQUPBPBZIFK-WCQYABFASA-N -1 0 323.345 1.515 50 0 DDAARM CCOC(=O)c1cnn2cc(C(=O)c3ccccc3[O-])cnc12 ZINC000014168567 406871628 /nfs/dbraw/zinc/87/16/28/406871628.db2.gz DKTKPNIKCROXRQ-UHFFFAOYSA-N -1 0 311.297 1.843 50 0 DDAARM CCOC(=O)C1=C(C)N(CC(=O)[O-])C(=O)N[C@H]1c1ccccc1 ZINC000014246074 406874389 /nfs/dbraw/zinc/87/43/89/406874389.db2.gz NXASPNKYEXNBBD-AWEZNQCLSA-N -1 0 318.329 1.675 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c(OC)c1 ZINC000012391471 406844513 /nfs/dbraw/zinc/84/45/13/406844513.db2.gz UKKGBJFBCUKJCG-LBPRGKRZSA-N -1 0 316.317 1.587 50 0 DDAARM COCCNC(=O)CCc1nnc(-c2ccc(C)cc2)[n-]c1=O ZINC000034768785 406965126 /nfs/dbraw/zinc/96/51/26/406965126.db2.gz MTVPDRQHDXHECC-UHFFFAOYSA-N -1 0 316.361 1.248 50 0 DDAARM COc1ccc(C2=NO[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1 ZINC000035327004 406972112 /nfs/dbraw/zinc/97/21/12/406972112.db2.gz YNHIQJASTAQUFX-JTQLQIEISA-N -1 0 302.252 1.867 50 0 DDAARM Cc1cc(C)nc(SCc2nc(SCC(=O)[O-])n[nH]2)n1 ZINC000039933008 407002176 /nfs/dbraw/zinc/00/21/76/407002176.db2.gz FGSZMGVSYKRICU-UHFFFAOYSA-N -1 0 311.392 1.681 50 0 DDAARM Cc1ccc2nc(C)c(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])cc2c1 ZINC000055253095 407199431 /nfs/dbraw/zinc/19/94/31/407199431.db2.gz NKJMQWXVDRZHOZ-DOMZBBRYSA-N -1 0 314.341 1.512 50 0 DDAARM Cc1nc(CC(=O)N(CCC(=O)[O-])Cc2cccnc2)cs1 ZINC000095364364 407208845 /nfs/dbraw/zinc/20/88/45/407208845.db2.gz HNRPHVDGJJSXBC-UHFFFAOYSA-N -1 0 319.386 1.893 50 0 DDAARM Cc1ccc(C(=O)N[C@@H](C(=O)NCCCC(=O)[O-])C(C)C)cc1 ZINC000095956887 407216949 /nfs/dbraw/zinc/21/69/49/407216949.db2.gz WNYZQLIPXPTFGD-OAHLLOKOSA-N -1 0 320.389 1.730 50 0 DDAARM Cc1nc([N-]S(=O)(=O)c2ccccc2Br)no1 ZINC000095994092 407221956 /nfs/dbraw/zinc/22/19/56/407221956.db2.gz LYNXTKXFTGSFGG-UHFFFAOYSA-N -1 0 318.152 1.941 50 0 DDAARM O=S(=O)(Cc1ccc(F)cc1)[N-]c1nc2ccccn2n1 ZINC000097098448 407280215 /nfs/dbraw/zinc/28/02/15/407280215.db2.gz WICUCXCGPINACQ-UHFFFAOYSA-N -1 0 306.322 1.810 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)n1 ZINC000122874407 407312812 /nfs/dbraw/zinc/31/28/12/407312812.db2.gz ATZVWSBXSQSITG-VHSXEESVSA-N -1 0 321.283 1.988 50 0 DDAARM COc1ccccc1/C=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000221803491 407551039 /nfs/dbraw/zinc/55/10/39/407551039.db2.gz HMNPLEZOEFBTIQ-FMFIFOJESA-N -1 0 305.330 1.411 50 0 DDAARM O=C([O-])[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCOC1 ZINC000225487103 407590882 /nfs/dbraw/zinc/59/08/82/407590882.db2.gz MIKGEHKFZGUIAG-OCCSQVGLSA-N -1 0 304.346 1.787 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 ZINC000262444068 407837129 /nfs/dbraw/zinc/83/71/29/407837129.db2.gz GJSQYPGOOUZYCP-UHFFFAOYSA-N -1 0 314.341 1.529 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cn(-c2ccccc2Cl)nn1 ZINC000238086471 407888087 /nfs/dbraw/zinc/88/80/87/407888087.db2.gz QHKINDBMZXGMFD-GFCCVEGCSA-N -1 0 320.736 1.610 50 0 DDAARM O=C(CN1CCC[C@@H]1C(=O)[O-])NCCCOC1CCCCC1 ZINC000238092366 407891195 /nfs/dbraw/zinc/89/11/95/407891195.db2.gz CYJLGIGQPLQYTC-CQSZACIVSA-N -1 0 312.410 1.391 50 0 DDAARM Cc1nn(C)c2ncc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc12 ZINC000237841539 407844364 /nfs/dbraw/zinc/84/43/64/407844364.db2.gz CUOMIQDFMSKHNX-LBPRGKRZSA-N -1 0 302.334 1.356 50 0 DDAARM Cc1c(Cl)cccc1OCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262903761 407967053 /nfs/dbraw/zinc/96/70/53/407967053.db2.gz BSDNJZNVPLIIGQ-GFCCVEGCSA-N -1 0 313.737 1.339 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCCOc2cccc(F)c2)CCO1 ZINC000262935201 407976969 /nfs/dbraw/zinc/97/69/69/407976969.db2.gz GXJGZGJNHNWEEW-ZDUSSCGKSA-N -1 0 311.309 1.297 50 0 DDAARM CCCC(=O)N1CCC[C@H](C(=O)N2CC[C@@](F)(C(=O)[O-])C2)C1 ZINC000262747857 407914349 /nfs/dbraw/zinc/91/43/49/407914349.db2.gz JZNPAYSPEWJNLC-NHYWBVRUSA-N -1 0 314.357 1.050 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1SCCc2ccccc21 ZINC000299751504 292453104 /nfs/dbraw/zinc/45/31/04/292453104.db2.gz QTGRHFLEVIGVSD-AWEZNQCLSA-N -1 0 309.387 1.577 50 0 DDAARM Cc1cc2c(cc1C)[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])CO2 ZINC000263130116 408030889 /nfs/dbraw/zinc/03/08/89/408030889.db2.gz LLVZXKGQPFMSSA-OLZOCXBDSA-N -1 0 305.330 1.091 50 0 DDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)/C=C/c1ccccn1 ZINC000136020440 408069759 /nfs/dbraw/zinc/06/97/59/408069759.db2.gz AQWBQYKBZCHROF-VOTSOKGWSA-N -1 0 307.331 1.205 50 0 DDAARM COc1c(C)cc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1C ZINC000263259126 408078905 /nfs/dbraw/zinc/07/89/05/408078905.db2.gz JFYQGSFPMJNAFU-TZMCWYRMSA-N -1 0 321.373 1.922 50 0 DDAARM Cc1cc(-n2cncn2)ccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136167461 408083869 /nfs/dbraw/zinc/08/38/69/408083869.db2.gz PBAPDLQEMXAVBC-GFCCVEGCSA-N -1 0 314.345 1.513 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)s1 ZINC000263307888 408101861 /nfs/dbraw/zinc/10/18/61/408101861.db2.gz WHRLAIBHOUJMRS-XPTSAGLGSA-N -1 0 311.359 1.514 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1csc(-c2ncccn2)n1 ZINC000136521051 408109112 /nfs/dbraw/zinc/10/91/12/408109112.db2.gz FCEACXCECVGOEI-JTQLQIEISA-N -1 0 318.358 1.679 50 0 DDAARM CC(C)N(CCS(C)(=O)=O)C(=O)c1cccc(C(=O)[O-])c1 ZINC000263388822 408128293 /nfs/dbraw/zinc/12/82/93/408128293.db2.gz DCXAVNIQGQYIAF-UHFFFAOYSA-N -1 0 313.375 1.280 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2cc(C3CC3)no2)(C(=O)[O-])C1(C)C ZINC000263480875 408151735 /nfs/dbraw/zinc/15/17/35/408151735.db2.gz AOAPTGBXILQOSZ-BLLLJJGKSA-N -1 0 322.361 1.940 50 0 DDAARM C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000165374181 408811336 /nfs/dbraw/zinc/81/13/36/408811336.db2.gz MQVABVVGUYKPIS-WCQYABFASA-N -1 0 310.394 1.395 50 0 DDAARM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000263109700 163915992 /nfs/dbraw/zinc/91/59/92/163915992.db2.gz XCYUKCQUPQICLD-INIZCTEOSA-N -1 0 314.345 1.594 50 0 DDAARM O=C([O-])Cn1cc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)cn1 ZINC000647744574 423028547 /nfs/dbraw/zinc/02/85/47/423028547.db2.gz FJXSKYPQUAHIKH-PBHICJAKSA-N -1 0 311.341 1.810 50 0 DDAARM CN(C1CCCCC1)S(=O)(=O)N(CC(=O)[O-])CC1CC1 ZINC000036885583 418415283 /nfs/dbraw/zinc/41/52/83/418415283.db2.gz NGSSMHGQXUHDCV-UHFFFAOYSA-N -1 0 304.412 1.292 50 0 DDAARM Cc1csc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000066246979 418487073 /nfs/dbraw/zinc/48/70/73/418487073.db2.gz VAYUKLQZIZBUNW-UHFFFAOYSA-N -1 0 320.399 2.438 50 0 DDAARM CC(C)CS(=O)(=O)[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000115910976 418501867 /nfs/dbraw/zinc/50/18/67/418501867.db2.gz MTTQFPCQEKQEDW-CQSZACIVSA-N -1 0 311.403 1.793 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@](C)(O)CC2)c1 ZINC000426478705 419480773 /nfs/dbraw/zinc/48/07/73/419480773.db2.gz IJGRAZJHZVSTEQ-INIZCTEOSA-N -1 0 307.346 1.771 50 0 DDAARM Cc1ccc(-c2cc(C(=O)N(C)Cc3n[nH]c(=O)[n-]3)[nH]n2)cc1 ZINC000426649412 419522686 /nfs/dbraw/zinc/52/26/86/419522686.db2.gz AVKULXZUJKQRMP-UHFFFAOYSA-N -1 0 312.333 1.481 50 0 DDAARM O=C(N=c1[n-]nc(C(F)F)s1)c1noc2c1COCC2 ZINC000527600038 421421481 /nfs/dbraw/zinc/42/14/81/421421481.db2.gz SYPFHJOJIXJNLC-UHFFFAOYSA-N -1 0 302.262 1.211 50 0 DDAARM COc1cc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)ccc1C ZINC000630336510 422028353 /nfs/dbraw/zinc/02/83/53/422028353.db2.gz UUWXMOHMENRHDY-MRXNPFEDSA-N -1 0 307.346 1.615 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1cccc2cccnc12 ZINC000606441493 422458867 /nfs/dbraw/zinc/45/88/67/422458867.db2.gz BIHIPOPMPKONMI-LMVHVUTASA-N -1 0 312.325 1.560 50 0 DDAARM O=C([O-])c1cccc(CNC(=O)Cc2cn3c(n2)CCCC3)c1 ZINC000652057997 423821647 /nfs/dbraw/zinc/82/16/47/423821647.db2.gz FAQVQVZWNSCNMM-UHFFFAOYSA-N -1 0 313.357 1.777 50 0 DDAARM CC[C@H](Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)[O-] ZINC000005610857 288150678 /nfs/dbraw/zinc/15/06/78/288150678.db2.gz TWYPIZYPRBIZKW-JTQLQIEISA-N -1 0 305.359 1.770 50 0 DDAARM COc1ccc(F)cc1CC(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263480162 295150173 /nfs/dbraw/zinc/15/01/73/295150173.db2.gz AKLLPQBJWNBRSK-LBPRGKRZSA-N -1 0 311.309 1.079 50 0 DDAARM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000263544248 298200120 /nfs/dbraw/zinc/20/01/20/298200120.db2.gz FWVFEKGIMRLCQL-RLCGTCKNSA-N -1 0 324.764 1.449 50 0 DDAARM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)N1CCCCCC1 ZINC000164864293 298214404 /nfs/dbraw/zinc/21/44/04/298214404.db2.gz TWDZCQZEHKHSTC-YPMHNXCESA-N -1 0 304.412 1.340 50 0 DDAARM C[C@@H](CN(C)C(=O)/C=C\c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000492179018 533705728 /nfs/dbraw/zinc/70/57/28/533705728.db2.gz GUBXSEPKBJGIMK-QZPNVGJNSA-N -1 0 305.330 1.650 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccc2c(c1)CCO2 ZINC000169974527 484094004 /nfs/dbraw/zinc/09/40/04/484094004.db2.gz HTUAKNGQAZMBHV-UONOGXRCSA-N -1 0 301.342 1.905 50 0 DDAARM Cc1nn(C)c2ncc(C(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)cc12 ZINC000263530913 484276023 /nfs/dbraw/zinc/27/60/23/484276023.db2.gz WKJOGUYMFQCYAR-GXSJLCMTSA-N -1 0 316.361 1.602 50 0 DDAARM C[C@@H]1Cc2cc(C(=O)Nc3cnn(CC(=O)[O-])c3)ccc2O1 ZINC000663058358 484634188 /nfs/dbraw/zinc/63/41/88/484634188.db2.gz NZYDKVZCJKLUOF-SECBINFHSA-N -1 0 301.302 1.543 50 0 DDAARM CCCc1nc(C)c(CNC(=O)Cc2cc(=O)[nH][n-]c2=O)s1 ZINC000670472124 484849524 /nfs/dbraw/zinc/84/95/24/484849524.db2.gz ILNMOICXDVLSBU-UHFFFAOYSA-N -1 0 322.390 1.464 50 0 DDAARM COCC1(NC(=O)c2ccc(C(=O)[O-])cc2F)CCOCC1 ZINC000668296288 485085633 /nfs/dbraw/zinc/08/56/33/485085633.db2.gz LBFJECTVBBBNMW-UHFFFAOYSA-N -1 0 311.309 1.449 50 0 DDAARM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)c2ccc(C(=O)[O-])s2)CC1=O ZINC000299747126 533736269 /nfs/dbraw/zinc/73/62/69/533736269.db2.gz CAARBRWYKILPRY-VGMNWLOBSA-N -1 0 308.359 1.185 50 0 DDAARM C[C@H](CCc1cccc(F)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299752547 533986135 /nfs/dbraw/zinc/98/61/35/533986135.db2.gz UOEDHWXPNYNUNO-BXUZGUMPSA-N -1 0 309.337 1.706 50 0 DDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N(CC(=O)[O-])C1CC1 ZINC000299742426 534857975 /nfs/dbraw/zinc/85/79/75/534857975.db2.gz HWTSWZRGGNRRCV-UHFFFAOYSA-N -1 0 307.394 1.774 50 0 DDAARM CCO[C@H](C)c1nc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cs1 ZINC000299752509 528008697 /nfs/dbraw/zinc/00/86/97/528008697.db2.gz UIVYOVSEDUYAGD-MIMYLULJSA-N -1 0 312.391 1.920 50 0 DDAARM CCOc1c(F)cccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299748807 528181830 /nfs/dbraw/zinc/18/18/30/528181830.db2.gz IGFWOWIQUIQBAG-SNVBAGLBSA-N -1 0 311.309 1.540 50 0 DDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1c(F)cccc1F ZINC000263457802 698507754 /nfs/dbraw/zinc/50/77/54/698507754.db2.gz BDQJEOBWDUKYQP-IUCAKERBSA-N -1 0 319.329 1.839 50 0 DDAARM C[C@@H]1Cc2cc(C(=O)NC3(CC(=O)[O-])CCOCC3)ccc2O1 ZINC000851597444 703812846 /nfs/dbraw/zinc/81/28/46/703812846.db2.gz UTONZYPDCYGINK-LLVKDONJSA-N -1 0 319.357 1.764 50 0 DDAARM CN1CCN(C(=O)C2CCC(C(=O)[O-])CC2)C[C@@H]1c1ncc[nH]1 ZINC000888096085 709212164 /nfs/dbraw/zinc/21/21/64/709212164.db2.gz JPGQAKLPIJZIDE-WXRRBKDZSA-N -1 0 320.393 1.116 50 0 DDAARM CC(C)C1=NO[C@H](C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)C1 ZINC000952970249 721529508 /nfs/dbraw/zinc/52/95/08/721529508.db2.gz RYRPMDGBMGVMCI-LBPRGKRZSA-N -1 0 316.321 1.731 50 0 DDAARM O=C([O-])Cn1ccc2nc3nc(-c4ccccc4)cn3nc2c1=O ZINC000675018969 737520462 /nfs/dbraw/zinc/52/04/62/737520462.db2.gz HLSAKAAXTJYKKP-UHFFFAOYSA-N -1 0 321.296 1.191 50 0 DDAARM Cn1ncc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1-n1cccc1 ZINC000225443288 201710063 /nfs/dbraw/zinc/71/00/63/201710063.db2.gz JBTMJROODNYZHI-NSHDSACASA-N -1 0 302.334 1.148 50 0 DDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(OC)c2c(c1)OCCO2 ZINC000299748228 529493525 /nfs/dbraw/zinc/49/35/25/529493525.db2.gz GMZOMVCTKZDMOC-INIZCTEOSA-N -1 0 323.345 1.840 50 0 DDAARM CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cn1 ZINC000095399173 185353726 /nfs/dbraw/zinc/35/37/26/185353726.db2.gz VCDVZIIRTTUPME-CQSZACIVSA-N -1 0 314.341 1.906 50 0 DDAARM O=C([O-])c1ccc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)cc1 ZINC000095399185 185353775 /nfs/dbraw/zinc/35/37/75/185353775.db2.gz KLDIDHQEOHYPPC-UHFFFAOYSA-N -1 0 320.732 1.699 50 0 DDAARM Cc1cccc(C[C@H](CNC(=O)[C@@H](C)n2cccn2)C(=O)[O-])c1 ZINC000095425402 185361628 /nfs/dbraw/zinc/36/16/28/185361628.db2.gz VYTOADWWEHRICB-UKRRQHHQSA-N -1 0 315.373 1.812 50 0 DDAARM O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000097021006 185398329 /nfs/dbraw/zinc/39/83/29/185398329.db2.gz TTYDYHPFZDMHSP-FZLLLIJMSA-N -1 0 315.421 1.978 50 0 DDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237503901 186298391 /nfs/dbraw/zinc/29/83/91/186298391.db2.gz ZXQIBMURVJONNL-QFYYESIMSA-N -1 0 307.394 1.539 50 0 DDAARM CCCc1nc(C(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])cs1 ZINC000072421461 191159094 /nfs/dbraw/zinc/15/90/94/191159094.db2.gz UMRKLOKWBQNEQA-LBPRGKRZSA-N -1 0 320.374 1.643 50 0 DDAARM COc1ccnc(N2CCC(C(=O)[O-])(n3cc(C)cn3)CC2)n1 ZINC000072433288 191163962 /nfs/dbraw/zinc/16/39/62/191163962.db2.gz XSQBXSIPZMPFAP-UHFFFAOYSA-N -1 0 317.349 1.070 50 0 DDAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000072447828 191169407 /nfs/dbraw/zinc/16/94/07/191169407.db2.gz FPMWVTWFTVEUBU-ZDUSSCGKSA-N -1 0 319.357 1.548 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(N3CCC(CO)CC3)n2)c1 ZINC000072477741 191180137 /nfs/dbraw/zinc/18/01/37/191180137.db2.gz LRVKDXOGRGGGJK-UHFFFAOYSA-N -1 0 314.345 1.446 50 0 DDAARM COc1ccc(S(=O)(=O)Nc2cncc(C(=O)[O-])c2)cc1 ZINC000002458691 180924761 /nfs/dbraw/zinc/92/47/61/180924761.db2.gz ITGKPVKDZDBMKD-UHFFFAOYSA-N -1 0 308.315 1.589 50 0 DDAARM CC(C)(CO)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000002765404 180954144 /nfs/dbraw/zinc/95/41/44/180954144.db2.gz GSXOBDFQQQZTOG-UHFFFAOYSA-N -1 0 301.614 1.976 50 0 DDAARM COc1cccc(-c2nc(C[S@](=O)CC(=O)[O-])c(C)o2)c1 ZINC000003913631 181058147 /nfs/dbraw/zinc/05/81/47/181058147.db2.gz KZTOCSCQOARFRW-OAQYLSRUSA-N -1 0 309.343 1.992 50 0 DDAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2cnn(C)c2)c(F)c1 ZINC000190862238 354286620 /nfs/dbraw/zinc/28/66/20/354286620.db2.gz BRRYYBCENWIRRS-UHFFFAOYSA-N -1 0 311.338 1.127 50 0 DDAARM Cc1cccc(C)c1NC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000004638433 181130728 /nfs/dbraw/zinc/13/07/28/181130728.db2.gz DCYLEOTZWLKCRN-UHFFFAOYSA-N -1 0 304.375 1.700 50 0 DDAARM O=C([O-])[C@H](NS(=O)(=O)c1ccccc1)[C@H](O)c1ccccc1 ZINC000004677054 181135200 /nfs/dbraw/zinc/13/52/00/181135200.db2.gz RIQLMDXNQFFCCH-ZIAGYGMSSA-N -1 0 321.354 1.152 50 0 DDAARM CN1CC[C@@H](NC(=O)c2cc(=O)c3cccc(F)c3[n-]2)C1=O ZINC000584899245 354799133 /nfs/dbraw/zinc/79/91/33/354799133.db2.gz KCYVRCOVNAKMGL-SNVBAGLBSA-N -1 0 303.293 1.040 50 0 DDAARM Nc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000004834953 181159305 /nfs/dbraw/zinc/15/93/05/181159305.db2.gz WQNVXWKVOHLJEV-UHFFFAOYSA-N -1 0 310.360 1.549 50 0 DDAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 ZINC000005020934 181191545 /nfs/dbraw/zinc/19/15/45/181191545.db2.gz PICQEJDBZKDWOD-CQSZACIVSA-N -1 0 305.355 1.661 50 0 DDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000237151471 202168381 /nfs/dbraw/zinc/16/83/81/202168381.db2.gz FEMQTCLSFASOCB-NSHDSACASA-N -1 0 310.737 1.236 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccn(C3CCCC3)n2)CCO1 ZINC000238060283 304084375 /nfs/dbraw/zinc/08/43/75/304084375.db2.gz CHXBIHBGECUAKR-LBPRGKRZSA-N -1 0 307.350 1.314 50 0 DDAARM CN(Cc1ccc(Cl)cc1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000186744357 200002741 /nfs/dbraw/zinc/00/27/41/200002741.db2.gz ZDEAFRDUDZXFDI-UHFFFAOYSA-N -1 0 312.782 1.502 50 0 DDAARM Cn1cc(CCC(=O)N2CCO[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000237767265 202351384 /nfs/dbraw/zinc/35/13/84/202351384.db2.gz VUYCVJKPYBEORH-HNNXBMFYSA-N -1 0 316.357 1.423 50 0 DDAARM Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC(C(=O)[O-])CC1)C2 ZINC000237894459 202381913 /nfs/dbraw/zinc/38/19/13/202381913.db2.gz RWWNPZMFMALRMU-HNNXBMFYSA-N -1 0 303.358 1.930 50 0 DDAARM O=C([O-])CN(C(=O)/C=C/c1ccc(F)cc1)C1CCOCC1 ZINC000238106588 202442006 /nfs/dbraw/zinc/44/20/06/202442006.db2.gz IFUDDUNYGXEUFO-ZZXKWVIFSA-N -1 0 307.321 1.931 50 0 DDAARM CC(C)[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000006349357 181333175 /nfs/dbraw/zinc/33/31/75/181333175.db2.gz UHIHTXYPLNHRNY-CQSZACIVSA-N -1 0 305.378 1.627 50 0 DDAARM COc1ccc(C(C)=O)cc1Cc1c([O-])[nH]c(=S)[nH]c1=O ZINC000006493015 181345522 /nfs/dbraw/zinc/34/55/22/181345522.db2.gz QOLWAAREQGKDIW-UHFFFAOYSA-N -1 0 306.343 1.979 50 0 DDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 ZINC000006730632 181378122 /nfs/dbraw/zinc/37/81/22/181378122.db2.gz NVDPFFGOYWAQBW-KGLIPLIRSA-N -1 0 317.389 1.621 50 0 DDAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1cscn1)CC2 ZINC000091526423 193069917 /nfs/dbraw/zinc/06/99/17/193069917.db2.gz BINDXTVOBZSJGL-CYBMUJFWSA-N -1 0 323.418 1.431 50 0 DDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccco2)C1 ZINC000092098835 193158814 /nfs/dbraw/zinc/15/88/14/193158814.db2.gz JGBMZXZVCJBMIS-INIZCTEOSA-N -1 0 309.362 1.942 50 0 DDAARM COc1ccc([C@H](NC(=O)c2cc(=O)[n-]o2)[C@H]2C[C@@H](O)C2)cn1 ZINC000223969243 201663993 /nfs/dbraw/zinc/66/39/93/201663993.db2.gz UZAVPSAVBBWXTL-BHDSKKPTSA-N -1 0 319.317 1.026 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnn2c1CCC2 ZINC000263222863 304147823 /nfs/dbraw/zinc/14/78/23/304147823.db2.gz ZFHJOGAXIZLXDU-OSMZGAPFSA-N -1 0 303.362 1.687 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(OC2CCCC2)c1 ZINC000262500265 203309718 /nfs/dbraw/zinc/30/97/18/203309718.db2.gz NLBOROSCHPAFMM-HNNXBMFYSA-N -1 0 319.357 1.934 50 0 DDAARM CC(C)NC(=O)N1CCC[C@H]1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000262733321 203395299 /nfs/dbraw/zinc/39/52/99/203395299.db2.gz DSPQOFFIGDEUOT-ZDUSSCGKSA-N -1 0 319.361 1.906 50 0 DDAARM COC1(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CCC1 ZINC000263542636 203478418 /nfs/dbraw/zinc/47/84/18/203478418.db2.gz RRYUYPPDTOFKEF-UHFFFAOYSA-N -1 0 316.317 1.473 50 0 DDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c[nH]1 ZINC000021500042 182274724 /nfs/dbraw/zinc/27/47/24/182274724.db2.gz ASGHSKLFILBRIJ-UHFFFAOYSA-N -1 0 320.248 1.931 50 0 DDAARM CN(C)c1ccc(NC(=O)C([O-])=C2C(=O)Nc3ccccc32)cc1 ZINC000100509810 193800542 /nfs/dbraw/zinc/80/05/42/193800542.db2.gz QKZOAMZONMZZQW-HNNXBMFYSA-N -1 0 323.352 1.996 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000043702242 183381795 /nfs/dbraw/zinc/38/17/95/183381795.db2.gz CJBMZANZQXYFRR-GFCCVEGCSA-N -1 0 309.749 1.684 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2sccc2-n2cccc2)CCO1 ZINC000043701208 183381969 /nfs/dbraw/zinc/38/19/69/183381969.db2.gz GTYZMJWIVIXYSW-NSHDSACASA-N -1 0 306.343 1.464 50 0 DDAARM O=C([O-])c1ccc(-n2c(=O)[nH]nc2[C@H](O)c2ccccc2)cc1 ZINC000065387192 184333991 /nfs/dbraw/zinc/33/39/91/184333991.db2.gz BYNUWELFGZZDDB-CYBMUJFWSA-N -1 0 311.297 1.341 50 0 DDAARM Cn1c(CCNC(=O)C2(C(=O)[O-])CC2)nc2ccc(F)cc21 ZINC000154878684 197001620 /nfs/dbraw/zinc/00/16/20/197001620.db2.gz BZKKCRWRUDGYIO-UHFFFAOYSA-N -1 0 305.309 1.236 50 0 DDAARM Cc1cc(S(=O)(=O)N(C)c2cnn(C)c2)sc1C(=O)[O-] ZINC000295220881 224569719 /nfs/dbraw/zinc/56/97/19/224569719.db2.gz QYSHLQXSLLYTFD-UHFFFAOYSA-N -1 0 315.376 1.313 50 0 DDAARM O=C(CN1C(=O)COc2ccccc21)[N-]OCc1ccccc1 ZINC000014601550 134521201 /nfs/dbraw/zinc/52/12/01/134521201.db2.gz VZKZLKZGMRNZEF-UHFFFAOYSA-N -1 0 312.325 1.660 50 0 DDAARM COCc1nnc([N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000000199403 406628115 /nfs/dbraw/zinc/62/81/15/406628115.db2.gz WVMGZZQGHCDVFR-UHFFFAOYSA-N -1 0 303.340 1.624 50 0 DDAARM O=C([O-])CSCC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000001034071 406663673 /nfs/dbraw/zinc/66/36/73/406663673.db2.gz ZEYGRLFKYPRDQY-UHFFFAOYSA-N -1 0 301.271 1.313 50 0 DDAARM CCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000001576006 406672865 /nfs/dbraw/zinc/67/28/65/406672865.db2.gz XCHVIDSCZYPFTR-AAEUAGOBSA-N -1 0 322.361 1.671 50 0 DDAARM CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1C(=O)[O-] ZINC000000317778 406640517 /nfs/dbraw/zinc/64/05/17/406640517.db2.gz KMZHNSUTPODDIY-UHFFFAOYSA-N -1 0 316.338 1.970 50 0 DDAARM O=C1[N-]C(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1ccc(O)cc1 ZINC000000455095 406647968 /nfs/dbraw/zinc/64/79/68/406647968.db2.gz DKUIVNPQFJRYJZ-ZROIWOOFSA-N -1 0 324.292 1.764 50 0 DDAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(F)cn3)cc12 ZINC000069675511 406754989 /nfs/dbraw/zinc/75/49/89/406754989.db2.gz JJTUIKWMWJRQKW-UHFFFAOYSA-N -1 0 321.337 1.612 50 0 DDAARM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(F)c(F)cc2F)n1 ZINC000069925437 406790566 /nfs/dbraw/zinc/79/05/66/406790566.db2.gz XSIITVBCUABDPL-YFKPBYRVSA-N -1 0 321.280 1.835 50 0 DDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cc(F)cc(F)c1 ZINC000013269181 406860774 /nfs/dbraw/zinc/86/07/74/406860774.db2.gz IZLFVXDWFBXMEL-LLVKDONJSA-N -1 0 305.302 1.593 50 0 DDAARM CCCN1C(=O)C(=Cc2ccccc2OCC(=O)[O-])NC1=S ZINC000013302747 406861656 /nfs/dbraw/zinc/86/16/56/406861656.db2.gz IIVXVCCPXXSUIA-DHZHZOJOSA-N -1 0 320.370 1.618 50 0 DDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc(OC)c1 ZINC000013536123 406862748 /nfs/dbraw/zinc/86/27/48/406862748.db2.gz PZYQDWWXWZIUSI-DZGCQCFKSA-N -1 0 307.346 1.706 50 0 DDAARM CC1(C)SCN(S(=O)(=O)c2cccnc2)[C@@H]1C(=O)[O-] ZINC000036377894 406978799 /nfs/dbraw/zinc/97/87/99/406978799.db2.gz ZGBBDTSPDSBUSY-SECBINFHSA-N -1 0 302.377 1.008 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCNC(=O)c1ccsc1 ZINC000037437936 406989740 /nfs/dbraw/zinc/98/97/40/406989740.db2.gz JBJOMPIKCYNXKE-LLVKDONJSA-N -1 0 310.375 1.334 50 0 DDAARM O=C(C1=N[N-]c2ccccc2S1(=O)=O)N1CCCCCC1 ZINC000049402793 407119740 /nfs/dbraw/zinc/11/97/40/407119740.db2.gz XSASXIKIHQMLGH-UHFFFAOYSA-N -1 0 307.375 1.602 50 0 DDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc([S@](C)=O)c(F)c2)c1 ZINC000089756624 407147226 /nfs/dbraw/zinc/14/72/26/407147226.db2.gz GYLJJSZUPQOITC-LJQANCHMSA-N -1 0 317.367 1.097 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)C2(c3cccc(F)c3)CC2)n1 ZINC000089774767 407148345 /nfs/dbraw/zinc/14/83/45/407148345.db2.gz MLHNDKHXRLABAN-UHFFFAOYSA-N -1 0 303.293 1.777 50 0 DDAARM Cc1c(NC(=O)[C@H](C)S(=O)(=O)C(C)C)cccc1C(=O)[O-] ZINC000095954258 407216830 /nfs/dbraw/zinc/21/68/30/407216830.db2.gz HMEHWEYMZUOYAM-JTQLQIEISA-N -1 0 313.375 1.843 50 0 DDAARM CC[C@H](C)Nc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1 ZINC000096131901 407239751 /nfs/dbraw/zinc/23/97/51/407239751.db2.gz LPFOEPBGVJSBBA-NSHDSACASA-N -1 0 322.409 1.886 50 0 DDAARM Cc1ccc(-n2cc(S(=O)(=O)[N-]c3ccon3)cn2)cc1 ZINC000096500768 407273456 /nfs/dbraw/zinc/27/34/56/407273456.db2.gz PJXQTNBVTQJAJQ-UHFFFAOYSA-N -1 0 304.331 1.970 50 0 DDAARM CCCN(CC(=O)[O-])C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000195541765 407464461 /nfs/dbraw/zinc/46/44/61/407464461.db2.gz BDFQWYFBGFYSSP-UHFFFAOYSA-N -1 0 305.309 1.948 50 0 DDAARM O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccc2[n-]c(=S)oc2c1 ZINC000170651943 407466484 /nfs/dbraw/zinc/46/64/84/407466484.db2.gz RGXWNGZZZCMGGD-VIFPVBQESA-N -1 0 317.370 1.610 50 0 DDAARM O=C([O-])c1cccc(-c2ncc(F)c(N3CCOCC3)n2)c1 ZINC000215541272 407487882 /nfs/dbraw/zinc/48/78/82/407487882.db2.gz UFSICVJDAQCYMU-UHFFFAOYSA-N -1 0 303.293 1.818 50 0 DDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(=O)[nH]c3ccccc32)C1 ZINC000170811564 407514107 /nfs/dbraw/zinc/51/41/07/407514107.db2.gz CCYAPQDPMDZYIO-MRXNPFEDSA-N -1 0 300.314 1.877 50 0 DDAARM Cn1cc(CCC(=O)NCCc2cccc(C(=O)[O-])c2)cn1 ZINC000225553321 407598424 /nfs/dbraw/zinc/59/84/24/407598424.db2.gz QOIQCFONRKRNHH-UHFFFAOYSA-N -1 0 301.346 1.410 50 0 DDAARM CC(C)N1C[C@H](C(=O)N[C@H](CC(=O)[O-])c2cccs2)CC1=O ZINC000236596826 407728851 /nfs/dbraw/zinc/72/88/51/407728851.db2.gz AKVLIWHYEHAHMM-GHMZBOCLSA-N -1 0 324.402 1.637 50 0 DDAARM CCO[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262081571 407734543 /nfs/dbraw/zinc/73/45/43/407734543.db2.gz BFCWAANGOFAZEQ-YGRLFVJLSA-N -1 0 304.346 1.705 50 0 DDAARM O=C([O-])CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000116339304 407747300 /nfs/dbraw/zinc/74/73/00/407747300.db2.gz KYKMXAYJXHRULF-UHFFFAOYSA-N -1 0 310.781 1.963 50 0 DDAARM CC(=O)N[C@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000236719613 407761109 /nfs/dbraw/zinc/76/11/09/407761109.db2.gz ORFFNGJQHQMHNQ-RHSMWYFYSA-N -1 0 318.373 1.577 50 0 DDAARM O=C([O-])c1ccc(NS(=O)(=O)C[C@@H]2CCCCO2)c(F)c1 ZINC000267270068 407811911 /nfs/dbraw/zinc/81/19/11/407811911.db2.gz SDTLVCIJYNUOLQ-JTQLQIEISA-N -1 0 317.338 1.835 50 0 DDAARM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000262449881 407835870 /nfs/dbraw/zinc/83/58/70/407835870.db2.gz ZJJMRJIAFODBBA-VIFPVBQESA-N -1 0 317.338 1.320 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccccc2Br)C1 ZINC000237957882 407854467 /nfs/dbraw/zinc/85/44/67/407854467.db2.gz ICVXWMIIQRIEQF-JTQLQIEISA-N -1 0 312.163 1.925 50 0 DDAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c2ccccc2n1 ZINC000174441169 407946424 /nfs/dbraw/zinc/94/64/24/407946424.db2.gz MFPRTQGUBWRJNV-LBPRGKRZSA-N -1 0 314.341 1.859 50 0 DDAARM CC(C)Oc1cccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)n1 ZINC000262837128 407953436 /nfs/dbraw/zinc/95/34/36/407953436.db2.gz RSJSUDIFSXKQGY-BXUZGUMPSA-N -1 0 322.361 1.478 50 0 DDAARM CCO[C@H]1C[C@](NC(=O)c2cncnc2C)(C(=O)[O-])C1(C)C ZINC000262796974 407936598 /nfs/dbraw/zinc/93/65/98/407936598.db2.gz LWPRGBYAIHBUEA-NHYWBVRUSA-N -1 0 307.350 1.173 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2csc([C@@H]3CCCO3)n2)n1 ZINC000262796830 407937317 /nfs/dbraw/zinc/93/73/17/407937317.db2.gz QVALTMBNBARZEJ-VIFPVBQESA-N -1 0 322.346 1.528 50 0 DDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cccc3c2CCC3)C1 ZINC000263147452 408037082 /nfs/dbraw/zinc/03/70/82/408037082.db2.gz UORIXKLFXPUKTK-QWHCGFSZSA-N -1 0 303.358 1.880 50 0 DDAARM CCO[C@@H]1C[C@@H]1C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000263240294 408071468 /nfs/dbraw/zinc/07/14/68/408071468.db2.gz TZQGRQYELAPLSF-QWHCGFSZSA-N -1 0 307.350 1.170 50 0 DDAARM Cc1cccc(-n2cc(C(=O)N(CC(=O)[O-])C(C)C)nn2)c1 ZINC000178066763 408769401 /nfs/dbraw/zinc/76/94/01/408769401.db2.gz MOOGVMUCUUBGDP-UHFFFAOYSA-N -1 0 302.334 1.511 50 0 DDAARM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCSc3ccccc32)C1 ZINC000294210480 409259257 /nfs/dbraw/zinc/25/92/57/409259257.db2.gz IRTMKNOXCYTIMJ-GFCCVEGCSA-N -1 0 320.414 1.922 50 0 DDAARM CC(C)(C)c1nc(C(=O)Nc2ncn(CC(=O)[O-])n2)cs1 ZINC000647782644 423047470 /nfs/dbraw/zinc/04/74/70/423047470.db2.gz WCEAARDGRPLGKM-UHFFFAOYSA-N -1 0 309.351 1.369 50 0 DDAARM CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000263351759 287376367 /nfs/dbraw/zinc/37/63/67/287376367.db2.gz PXCOFCWWUQRCMB-LLVKDONJSA-N -1 0 320.374 1.574 50 0 DDAARM O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccccc1Cl ZINC000036885466 418413642 /nfs/dbraw/zinc/41/36/42/418413642.db2.gz AVXZOMUHFLDBAI-UHFFFAOYSA-N -1 0 303.767 1.825 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)c2ncccc2OCC(F)(F)F)C1 ZINC000178257285 221861010 /nfs/dbraw/zinc/86/10/10/221861010.db2.gz MULUMAXDIVZOTN-QMMMGPOBSA-N -1 0 318.251 1.569 50 0 DDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1ccc2c(c1)CCCO2 ZINC000426544246 419502393 /nfs/dbraw/zinc/50/23/93/419502393.db2.gz BFJZRZQOKPMHGH-ZDUSSCGKSA-N -1 0 315.329 1.160 50 0 DDAARM CO[C@H](C)c1nc(C)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000427965059 419776720 /nfs/dbraw/zinc/77/67/20/419776720.db2.gz PHXMFTPFHIBTSS-BDAKNGLRSA-N -1 0 314.363 1.085 50 0 DDAARM C[C@H]1CCC[C@H](OCC(=O)N(CC(=O)[O-])C2CCOCC2)C1 ZINC000299747738 229391161 /nfs/dbraw/zinc/39/11/61/229391161.db2.gz DXCPOIZBBKBHPD-JSGCOSHPSA-N -1 0 313.394 1.674 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CCO1 ZINC000299751642 229395762 /nfs/dbraw/zinc/39/57/62/229395762.db2.gz RCJLRRIBNKEYLN-XWIASGKRSA-N -1 0 311.284 1.380 50 0 DDAARM C[C@H](C(=O)[O-])N(C)C(=O)CCCN1C(=O)CCc2ccccc21 ZINC000521365998 421783895 /nfs/dbraw/zinc/78/38/95/421783895.db2.gz LCLGSJUUGJWEOM-GFCCVEGCSA-N -1 0 318.373 1.678 50 0 DDAARM C[C@@H]1C[C@H](C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)[C@@H](C)O1 ZINC000630178043 421940461 /nfs/dbraw/zinc/94/04/61/421940461.db2.gz ORFRGLSWRCSRDN-JYILRKAJSA-N -1 0 309.337 1.924 50 0 DDAARM CCn1c2ccc(C(=O)NCC(=O)[O-])cc2c2c1C(=O)CCC2 ZINC000426376361 288690720 /nfs/dbraw/zinc/69/07/20/288690720.db2.gz MTKCZYXQRVIKIX-UHFFFAOYSA-N -1 0 314.341 1.995 50 0 DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])o1 ZINC000316673266 297310435 /nfs/dbraw/zinc/31/04/35/297310435.db2.gz YEXJEZZYKUPLCB-WQMLDVEMSA-N -1 0 305.330 1.728 50 0 DDAARM Cc1cc(Cl)ccc1S(=O)(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088376654 301291975 /nfs/dbraw/zinc/29/19/75/301291975.db2.gz VBQBAMQBOXNBCY-SNVBAGLBSA-N -1 0 319.766 1.123 50 0 DDAARM Cc1nn(C)c(=O)c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1C ZINC000237797882 302732892 /nfs/dbraw/zinc/73/28/92/302732892.db2.gz DVXYMUJTTVKORE-GFCCVEGCSA-N -1 0 321.377 1.114 50 0 DDAARM Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n(-c2ccccn2)n1 ZINC000071281492 331921570 /nfs/dbraw/zinc/92/15/70/331921570.db2.gz MDIOIPVYVXCQTM-QWHCGFSZSA-N -1 0 314.345 1.871 50 0 DDAARM Cc1noc(C)c1C[C@@H](C)NS(=O)(=O)c1ccccc1[O-] ZINC000585091874 483919238 /nfs/dbraw/zinc/91/92/38/483919238.db2.gz ABHUFFIOQCGZSW-SECBINFHSA-N -1 0 310.375 1.907 50 0 DDAARM O=C([O-])c1ccc(C(=O)Nc2cncnc2N2CCCC2)cn1 ZINC000680628716 486247492 /nfs/dbraw/zinc/24/74/92/486247492.db2.gz YQKMOIUDGULCEM-UHFFFAOYSA-N -1 0 313.317 1.422 50 0 DDAARM COc1ccccc1C[C@H](C)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299749661 534112478 /nfs/dbraw/zinc/11/24/78/534112478.db2.gz LEZRLEFNTXAZKO-WFASDCNBSA-N -1 0 321.373 1.576 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2)CCO1 ZINC000299745216 534524231 /nfs/dbraw/zinc/52/42/31/534524231.db2.gz WTJOFZWGEDSTQG-ZDUSSCGKSA-N -1 0 311.309 1.297 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc(F)c(Cl)c1 ZINC000299753619 534526665 /nfs/dbraw/zinc/52/66/65/534526665.db2.gz YUTWMRULZBOKTQ-NSHDSACASA-N -1 0 317.700 1.170 50 0 DDAARM O=C([O-])c1csc(CNC(=O)c2cccc3c2OCCO3)n1 ZINC000299741009 534550910 /nfs/dbraw/zinc/55/09/10/534550910.db2.gz CTVVDOJKXBVNGG-UHFFFAOYSA-N -1 0 320.326 1.543 50 0 DDAARM Cc1ccc(C)c(O[C@H](C)C(=O)NCCCc2nnn[n-]2)c1 ZINC000055368655 696284040 /nfs/dbraw/zinc/28/40/40/696284040.db2.gz ZWAVDXRBBSJTND-GFCCVEGCSA-N -1 0 303.366 1.333 50 0 DDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)N[C@H](C)C(C)C)CC2)c1 ZINC000072459105 696394208 /nfs/dbraw/zinc/39/42/08/696394208.db2.gz GKOJRFQOFCWMKW-CYBMUJFWSA-N -1 0 322.409 1.821 50 0 DDAARM CCOCc1nc(C)cc(N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC000929084756 713543084 /nfs/dbraw/zinc/54/30/84/713543084.db2.gz ISRUREKXBYVDIF-LLVKDONJSA-N -1 0 318.381 1.529 50 0 DDAARM O=C(NCc1nnn[n-]1)c1ccc(N2CCCC2)c(Cl)c1 ZINC000828152506 759505337 /nfs/dbraw/zinc/50/53/37/759505337.db2.gz INYAPZKOWHGVEI-UHFFFAOYSA-N -1 0 306.757 1.383 50 0 DDAARM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1sc(N(C)C)nc1C ZINC000585086532 771934477 /nfs/dbraw/zinc/93/44/77/771934477.db2.gz DGHWHGQRKOQHBC-MRVPVSSYSA-N -1 0 319.452 1.759 50 0 DDAARM CCc1cnc(CNC(=O)N=c2nc(C(F)(F)F)[n-]s2)o1 ZINC000585119824 771954507 /nfs/dbraw/zinc/95/45/07/771954507.db2.gz WAJHRJFQIPPUIE-UHFFFAOYSA-N -1 0 321.284 1.851 50 0 DDAARM Cc1nonc1[N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1 ZINC000585129174 771963031 /nfs/dbraw/zinc/96/30/31/771963031.db2.gz AFQXZSDMNFIHOP-UHFFFAOYSA-N -1 0 321.318 1.592 50 0 DDAARM CCCn1cnc(S(=O)(=O)[N-]c2nc(C(C)C)nn2C)c1 ZINC000089960743 185272069 /nfs/dbraw/zinc/27/20/69/185272069.db2.gz QPFMYFQVVRBLLW-UHFFFAOYSA-N -1 0 312.399 1.346 50 0 DDAARM CO[C@@H](CNC(=O)Cc1ccc(Br)cc1)C(=O)[O-] ZINC000227278757 201798248 /nfs/dbraw/zinc/79/82/48/201798248.db2.gz HXJRGNQJYZHOBJ-JTQLQIEISA-N -1 0 316.151 1.207 50 0 DDAARM Cc1nc(C)c(C(=O)N[C@@](C)(COc2ccccc2)C(=O)[O-])o1 ZINC000139972575 186025135 /nfs/dbraw/zinc/02/51/35/186025135.db2.gz RRAVGIVLCGXBAF-INIZCTEOSA-N -1 0 318.329 1.944 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1cccnc1)C2 ZINC000072421046 191158804 /nfs/dbraw/zinc/15/88/04/191158804.db2.gz FTXSIBSDZRQYOH-UHFFFAOYSA-N -1 0 300.362 1.701 50 0 DDAARM COc1ccccc1-c1cc(=O)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000049551268 352555727 /nfs/dbraw/zinc/55/57/27/352555727.db2.gz HFXSTGRAUBBDPP-SNVBAGLBSA-N -1 0 308.359 1.212 50 0 DDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1CCC2(CC1)OCCO2 ZINC000002527692 180932778 /nfs/dbraw/zinc/93/27/78/180932778.db2.gz RCLRJIIPUPENTL-LLVKDONJSA-N -1 0 315.366 1.898 50 0 DDAARM CCCNS(=O)(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000126208478 354051968 /nfs/dbraw/zinc/05/19/68/354051968.db2.gz BLTPQCLQWMGAGC-UHFFFAOYSA-N -1 0 318.351 1.058 50 0 DDAARM CSCC[C@@H](NC(=O)c1cccnc1SC)C(=O)[O-] ZINC000004284541 181092986 /nfs/dbraw/zinc/09/29/86/181092986.db2.gz HSEYYGFJBLWFGD-SECBINFHSA-N -1 0 300.405 1.740 50 0 DDAARM CN(C)S(=O)(=O)NCCCCCCCCCCC(=O)[O-] ZINC000004506000 181116902 /nfs/dbraw/zinc/11/69/02/181116902.db2.gz GIWSDPIPARSHHQ-UHFFFAOYSA-N -1 0 308.444 1.978 50 0 DDAARM CCS[C@H](C)C[C@@H]1CC(=O)C(C(C)=O)=C([O-])[C@H]1C(=O)OC ZINC000584904294 354802510 /nfs/dbraw/zinc/80/25/10/354802510.db2.gz RDANDEOJKSBVOQ-DXLKZPDWSA-N -1 0 314.403 1.671 50 0 DDAARM Cn1cnnc1[C@@H](CO)N=c1nc(C2CCCCC2)[n-]s1 ZINC000585132733 354811144 /nfs/dbraw/zinc/81/11/44/354811144.db2.gz QMOKAWVDEXKDRH-SNVBAGLBSA-N -1 0 308.411 1.282 50 0 DDAARM CC(C)(C)c1nc(C(=O)NCCn2cnc(C(=O)[O-])c2)cs1 ZINC000585134074 354811287 /nfs/dbraw/zinc/81/12/87/354811287.db2.gz CQYAOYWXCMHLIN-UHFFFAOYSA-N -1 0 322.390 1.765 50 0 DDAARM Cc1ccc(NS(=O)(=O)c2ccc([O-])c(C(N)=O)c2)cc1C ZINC000005000168 181188129 /nfs/dbraw/zinc/18/81/29/181188129.db2.gz IQRBNCKYHRLBST-UHFFFAOYSA-N -1 0 320.370 1.909 50 0 DDAARM CC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005624576 181264833 /nfs/dbraw/zinc/26/48/33/181264833.db2.gz AQHOFBFHDCWGER-XYOKQWHBSA-N -1 0 319.748 1.949 50 0 DDAARM CCn1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C(C)C)n1 ZINC000237232557 202198306 /nfs/dbraw/zinc/19/83/06/202198306.db2.gz NSWONYAKYIGDMP-NSHDSACASA-N -1 0 309.366 1.342 50 0 DDAARM C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1)C(=O)[O-] ZINC000237603538 295963059 /nfs/dbraw/zinc/96/30/59/295963059.db2.gz MYSZSGYTWPXYJQ-NWDGAFQWSA-N -1 0 310.394 1.395 50 0 DDAARM COc1ccc(-c2n[nH]cc2C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000237293127 202219347 /nfs/dbraw/zinc/21/93/47/202219347.db2.gz SCCOBKKJXHXJQB-SNVBAGLBSA-N -1 0 317.345 1.878 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000237644054 202315557 /nfs/dbraw/zinc/31/55/57/202315557.db2.gz UHYLRSYUYCWOIR-KRWDZBQOSA-N -1 0 313.357 1.738 50 0 DDAARM Cc1cccc(OCCCNC(=O)CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000237711511 202334778 /nfs/dbraw/zinc/33/47/78/202334778.db2.gz HXNPKRDXBLMUAQ-OAHLLOKOSA-N -1 0 320.389 1.429 50 0 DDAARM Cc1ccc(-c2cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)[nH]n2)cc1 ZINC000237702898 202331701 /nfs/dbraw/zinc/33/17/01/202331701.db2.gz CVJQQKRSLQHXFV-AWEZNQCLSA-N -1 0 315.329 1.311 50 0 DDAARM O=C([O-])CNC(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000237944449 202399482 /nfs/dbraw/zinc/39/94/82/202399482.db2.gz KCGPQXYTWFZYSF-UHFFFAOYSA-N -1 0 320.736 1.613 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2SCCc3sccc32)CCO1 ZINC000299748532 304131462 /nfs/dbraw/zinc/13/14/62/304131462.db2.gz HJVMOVSISSAOSS-GXSJLCMTSA-N -1 0 313.400 1.391 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCOc1cccc(Cl)c1 ZINC000088374715 304134500 /nfs/dbraw/zinc/13/45/00/304134500.db2.gz VXMLRTBOXJJZRO-LBPRGKRZSA-N -1 0 313.737 1.421 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000268992553 304134947 /nfs/dbraw/zinc/13/49/47/304134947.db2.gz UBDWFNIHIGIPBU-FOGDFJRCSA-N -1 0 311.284 1.380 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2nncn2c1 ZINC000237985293 304142212 /nfs/dbraw/zinc/14/22/12/304142212.db2.gz CYUUSBQNCUVCGO-DRZSPHRISA-N -1 0 314.345 1.587 50 0 DDAARM Cc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1Cl ZINC000007327444 181454726 /nfs/dbraw/zinc/45/47/26/181454726.db2.gz ZLBWLURSZJEBSZ-UHFFFAOYSA-N -1 0 307.737 1.527 50 0 DDAARM CC(C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)[O-] ZINC000262389535 203280322 /nfs/dbraw/zinc/28/03/22/203280322.db2.gz XUODKVLFRHUKBO-GFCCVEGCSA-N -1 0 318.329 1.142 50 0 DDAARM COc1ccc(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)cc1 ZINC000008607697 181568757 /nfs/dbraw/zinc/56/87/57/181568757.db2.gz MQXPYGGZLSVXHH-UHFFFAOYSA-N -1 0 316.357 1.899 50 0 DDAARM Cn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)[O-] ZINC000017043100 182070899 /nfs/dbraw/zinc/07/08/99/182070899.db2.gz REOOCYGSVUZNEG-UHFFFAOYSA-N -1 0 323.330 1.300 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000020200931 182196916 /nfs/dbraw/zinc/19/69/16/182196916.db2.gz KVVPTNITOZQRNL-VXGBXAGGSA-N -1 0 308.378 1.101 50 0 DDAARM O=C([O-])[C@@]1(NC(=O)COc2ccccc2Cl)CCSC1 ZINC000043510908 183368642 /nfs/dbraw/zinc/36/86/42/183368642.db2.gz SDWCMSGKYPJBSI-CYBMUJFWSA-N -1 0 315.778 1.795 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000268943067 207108447 /nfs/dbraw/zinc/10/84/47/207108447.db2.gz KVUJTSXJKBSTJI-UTUOFQBUSA-N -1 0 322.748 1.282 50 0 DDAARM CCc1c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cnn1C(C)(C)C ZINC000269040271 207189298 /nfs/dbraw/zinc/18/92/98/207189298.db2.gz QEWDPWSOKOAAME-LLVKDONJSA-N -1 0 323.393 1.516 50 0 DDAARM Cc1nnsc1CN(C)C(=O)c1ccccc1NCC(=O)[O-] ZINC000065384269 184332532 /nfs/dbraw/zinc/33/25/32/184332532.db2.gz JJFNXYRTDQGWDU-UHFFFAOYSA-N -1 0 320.374 1.615 50 0 DDAARM COc1ccccc1-n1cc(CN2C[C@H](C(=O)[O-])CC2=O)cn1 ZINC000065408431 184339034 /nfs/dbraw/zinc/33/90/34/184339034.db2.gz VACXQMWSXVGTHV-GFCCVEGCSA-N -1 0 315.329 1.314 50 0 DDAARM CCOC(=O)Cc1csc(NC(=O)CCCC(=O)[O-])n1 ZINC000000154982 406625704 /nfs/dbraw/zinc/62/57/04/406625704.db2.gz NRWSCKONKNJQCZ-UHFFFAOYSA-N -1 0 300.336 1.442 50 0 DDAARM O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)NCc1ccco1 ZINC000000202824 406631956 /nfs/dbraw/zinc/63/19/56/406631956.db2.gz WEDUZIRGFOOZAO-ZDUSSCGKSA-N -1 0 304.302 1.557 50 0 DDAARM CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000001576102 406670652 /nfs/dbraw/zinc/67/06/52/406670652.db2.gz RWAYODJQGJVQGX-FZMZJTMJSA-N -1 0 322.361 1.528 50 0 DDAARM O=c1[n-]c(NN2CCOCC2)nnc1Cc1ccc(Cl)cc1 ZINC000002718974 406696653 /nfs/dbraw/zinc/69/66/53/406696653.db2.gz BZFNUUGLBHPPAH-UHFFFAOYSA-N -1 0 321.768 1.068 50 0 DDAARM CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000003238173 406713063 /nfs/dbraw/zinc/71/30/63/406713063.db2.gz VUZKYVOQAJWYHX-NSHDSACASA-N -1 0 313.375 1.571 50 0 DDAARM CN(C(=O)[C@@H](CC(=O)[O-])NCc1ccco1)c1ccccc1 ZINC000005024277 406728684 /nfs/dbraw/zinc/72/86/84/406728684.db2.gz VDVCXXAPNWWKIR-CQSZACIVSA-N -1 0 302.330 1.876 50 0 DDAARM O=c1nc(N2CCOCC2)nc(Nc2ccc3ccccc3c2)[n-]1 ZINC000009310754 406805206 /nfs/dbraw/zinc/80/52/06/406805206.db2.gz IKXQAFTVMYMIGX-UHFFFAOYSA-N -1 0 323.356 1.898 50 0 DDAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1O ZINC000014010040 406870370 /nfs/dbraw/zinc/87/03/70/406870370.db2.gz OKZCVBVFQBIMBC-FARCUNLSSA-N -1 0 313.107 1.344 50 0 DDAARM CCC(=O)N[C@]([N-]c1nccs1)(C(=O)OC)C(F)(F)F ZINC000015202609 406880130 /nfs/dbraw/zinc/88/01/30/406880130.db2.gz GODGBHYZGBEZLT-VIFPVBQESA-N -1 0 311.285 1.513 50 0 DDAARM Nc1nc(-c2ccccc2)c(I)c(=O)[n-]1 ZINC000016513261 406882163 /nfs/dbraw/zinc/88/21/63/406882163.db2.gz JBQRDRKWCBEQKP-UHFFFAOYSA-N -1 0 313.098 1.624 50 0 DDAARM CC(=O)N1CCCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000027564772 406910770 /nfs/dbraw/zinc/91/07/70/406910770.db2.gz UCQXJUAAGBKBTD-UHFFFAOYSA-N -1 0 306.391 1.039 50 0 DDAARM CC(C)CNC(=O)CCc1nnc(-c2ccccc2)[n-]c1=O ZINC000034767612 406965101 /nfs/dbraw/zinc/96/51/01/406965101.db2.gz PPNYTXDFJDQQNC-UHFFFAOYSA-N -1 0 300.362 1.949 50 0 DDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnccn2)c1 ZINC000028813397 406919667 /nfs/dbraw/zinc/91/96/67/406919667.db2.gz ADLVFPCHAURKLC-UHFFFAOYSA-N -1 0 307.331 1.228 50 0 DDAARM Cc1cc([N-]S(=O)(=O)c2cc3c(=O)[nH]ncn3c2)ccc1F ZINC000075874149 406944477 /nfs/dbraw/zinc/94/44/77/406944477.db2.gz GEPMMMAKLYGGHS-UHFFFAOYSA-N -1 0 322.321 1.271 50 0 DDAARM CC(C)(C)[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000095424662 407213090 /nfs/dbraw/zinc/21/30/90/407213090.db2.gz MUTQTTOIGQRIPP-ZWNOBZJWSA-N -1 0 304.346 1.728 50 0 DDAARM CCn1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cn1 ZINC000095969568 407218769 /nfs/dbraw/zinc/21/87/69/407218769.db2.gz HJTNJWAJRDZBQS-CYBMUJFWSA-N -1 0 305.309 1.988 50 0 DDAARM COCc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccnc2)c1 ZINC000096013319 407223528 /nfs/dbraw/zinc/22/35/28/407223528.db2.gz WIHVYKZDIXHRTO-UHFFFAOYSA-N -1 0 320.370 1.488 50 0 DDAARM COc1cccc(S(=O)(=O)[N-]c2cnn([C@@H]3CCOC3)c2)c1 ZINC000096123260 407239313 /nfs/dbraw/zinc/23/93/13/407239313.db2.gz IZQHIYKFXQLSLO-GFCCVEGCSA-N -1 0 323.374 1.654 50 0 DDAARM O=C(NCc1cccnc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215508 407240339 /nfs/dbraw/zinc/24/03/39/407240339.db2.gz MGTKFUGMXWVYGQ-UHFFFAOYSA-N -1 0 301.327 1.620 50 0 DDAARM CCCN(Cc1ccccc1OC)C(=O)Cc1n[nH]c(=O)[n-]1 ZINC000067490181 407274721 /nfs/dbraw/zinc/27/47/21/407274721.db2.gz UHTNXEGFRACXAM-UHFFFAOYSA-N -1 0 304.350 1.088 50 0 DDAARM Cc1nn(-c2ccc(S(C)(=O)=O)cc2)c(C)c1CCC(=O)[O-] ZINC000067542085 407275512 /nfs/dbraw/zinc/27/55/12/407275512.db2.gz AZJIZWWVJCZICR-UHFFFAOYSA-N -1 0 322.386 1.910 50 0 DDAARM CS(=O)(=O)c1ccc(Cl)c(NC(=O)C/C=C\C(=O)[O-])c1 ZINC000097241047 407289466 /nfs/dbraw/zinc/28/94/66/407289466.db2.gz ZQGYQZHZXMPYOA-RQOWECAXSA-N -1 0 317.750 1.713 50 0 DDAARM CSCCc1nc([C@H](C)Cn2cccn2)n(CC(=O)[O-])n1 ZINC000097370501 407292284 /nfs/dbraw/zinc/29/22/84/407292284.db2.gz PFNPMKHGSJWOAG-SNVBAGLBSA-N -1 0 309.395 1.268 50 0 DDAARM CCc1nc(C(=O)[N-]S(=O)(=O)c2ccc(C(C)=O)cc2)co1 ZINC000122415009 407300212 /nfs/dbraw/zinc/30/02/12/407300212.db2.gz NZRLLTUYCGWZPN-UHFFFAOYSA-N -1 0 322.342 1.558 50 0 DDAARM COc1cccc(-c2cc(=O)n([C@H]3CCS(=O)(=O)C3)[n-]2)c1 ZINC000101449777 407309550 /nfs/dbraw/zinc/30/95/50/407309550.db2.gz RXPNQAODLJUVOF-NSHDSACASA-N -1 0 308.359 1.624 50 0 DDAARM O=C(NCC1N=NC(=S)N1C1CC1)c1ccc(F)cc1[O-] ZINC000123699352 407337136 /nfs/dbraw/zinc/33/71/36/407337136.db2.gz CKKPNQIFVTUXQA-UHFFFAOYSA-N -1 0 308.338 1.676 50 0 DDAARM CO[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccon1)c1ccccc1 ZINC000170649749 407462699 /nfs/dbraw/zinc/46/26/99/407462699.db2.gz WOKWURYCPRZLRV-GFCCVEGCSA-N -1 0 310.331 1.008 50 0 DDAARM Cc1[nH][nH]c(=O)c1CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170647641 407462773 /nfs/dbraw/zinc/46/27/73/407462773.db2.gz JDVTVGXPURBWHF-SECBINFHSA-N -1 0 318.358 1.358 50 0 DDAARM Cc1nn(C)c(C)c1OCC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000236674896 407745643 /nfs/dbraw/zinc/74/56/43/407745643.db2.gz YOSNEBJJEFNARE-UHFFFAOYSA-N -1 0 323.393 1.565 50 0 DDAARM CC(C)(CNC(=O)c1cc(N2CCCC2=O)ccc1F)C(=O)[O-] ZINC000236715076 407757448 /nfs/dbraw/zinc/75/74/48/407757448.db2.gz OETLIXGZXUIPKM-UHFFFAOYSA-N -1 0 322.336 1.793 50 0 DDAARM CC(C)(Cc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000236768795 407773321 /nfs/dbraw/zinc/77/33/21/407773321.db2.gz ZDNQSDBWJZHWHD-CQSZACIVSA-N -1 0 305.374 1.957 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CCO1 ZINC000262440814 407836671 /nfs/dbraw/zinc/83/66/71/407836671.db2.gz URLRGZOAAYJTIJ-SBMIAAHKSA-N -1 0 311.284 1.380 50 0 DDAARM O=C(CN1CCC[C@@H]1C(=O)[O-])Nc1nc2c(s1)CCCC2 ZINC000238097552 407890080 /nfs/dbraw/zinc/89/00/80/407890080.db2.gz LJBDBIAFAPUPKS-SNVBAGLBSA-N -1 0 309.391 1.509 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCO1 ZINC000238198354 407898488 /nfs/dbraw/zinc/89/84/88/407898488.db2.gz OOKKTHODQLMRTQ-SECBINFHSA-N -1 0 306.293 1.623 50 0 DDAARM CCO[C@H]1C[C@@](NC(=O)c2ccc(F)cn2)(C(=O)[O-])C1(C)C ZINC000262858065 407958190 /nfs/dbraw/zinc/95/81/90/407958190.db2.gz YMGUKWACYGNJLT-XHDPSFHLSA-N -1 0 310.325 1.609 50 0 DDAARM CCCn1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)cn1 ZINC000262938795 407976769 /nfs/dbraw/zinc/97/67/69/407976769.db2.gz HOIMSQIEFHWENH-LBPRGKRZSA-N -1 0 319.283 1.772 50 0 DDAARM Cn1cccc1C(=O)N[C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000263133827 408034887 /nfs/dbraw/zinc/03/48/87/408034887.db2.gz SYUYRCMTGWAFTK-AWEZNQCLSA-N -1 0 300.314 1.516 50 0 DDAARM CC(C)n1ccc(C(=O)NCCc2nc(C(=O)[O-])cs2)n1 ZINC000263169677 408046122 /nfs/dbraw/zinc/04/61/22/408046122.db2.gz WCHRUVZRNBNHKF-UHFFFAOYSA-N -1 0 308.363 1.591 50 0 DDAARM CS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])s1 ZINC000263175820 408049043 /nfs/dbraw/zinc/04/90/43/408049043.db2.gz JUFWNIMXJBQCMD-MRVPVSSYSA-N -1 0 317.388 1.135 50 0 DDAARM CCCN1C(=O)CCc2cc(NC(=O)NCCC(=O)[O-])ccc21 ZINC000263072456 408016573 /nfs/dbraw/zinc/01/65/73/408016573.db2.gz QBZWFVBPZFEPSP-UHFFFAOYSA-N -1 0 319.361 1.972 50 0 DDAARM C[C@@]1(C(=O)Nc2cccc(-n3cc(C(=O)[O-])nn3)c2)CC1(F)F ZINC000263222813 408064862 /nfs/dbraw/zinc/06/48/62/408064862.db2.gz PLNFDHUDODVMHJ-ZDUSSCGKSA-N -1 0 322.271 1.949 50 0 DDAARM CCn1c(=O)c2ccc(C(=O)NCC[C@@H](C)O)cc2[n-]c1=S ZINC000136023559 408069050 /nfs/dbraw/zinc/06/90/50/408069050.db2.gz LYLSTFXAZQCLEJ-SECBINFHSA-N -1 0 321.402 1.206 50 0 DDAARM CCO[C@H]1C[C@@H]1C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000263240298 408070116 /nfs/dbraw/zinc/07/01/16/408070116.db2.gz TZQGRQYELAPLSF-STQMWFEESA-N -1 0 307.350 1.170 50 0 DDAARM COC[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000263573159 408180882 /nfs/dbraw/zinc/18/08/82/408180882.db2.gz LZAVWRARGUJGAK-CQSZACIVSA-N -1 0 321.373 1.580 50 0 DDAARM CCOc1ccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000268998774 408223072 /nfs/dbraw/zinc/22/30/72/408223072.db2.gz XLTAKIWVJYIHPB-GPAKFWEMSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269054348 408225393 /nfs/dbraw/zinc/22/53/93/408225393.db2.gz WTHOXYKIKBVFTB-SNPRPXQTSA-N -1 0 303.358 1.801 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)Cc2csc3ccccc23)CCO1 ZINC000262159796 163777896 /nfs/dbraw/zinc/77/78/96/163777896.db2.gz VBZROWYVJWOEIP-GFCCVEGCSA-N -1 0 305.355 1.756 50 0 DDAARM CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1C ZINC000262814050 163881959 /nfs/dbraw/zinc/88/19/59/163881959.db2.gz PKENMQIWLOABAY-SMDDNHRTSA-N -1 0 322.361 1.444 50 0 DDAARM COC[C@H](NC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000263159617 163923061 /nfs/dbraw/zinc/92/30/61/163923061.db2.gz ZRKFBCHIHHPPRN-LURJTMIESA-N -1 0 308.153 1.340 50 0 DDAARM O=C([O-])c1cnc(C(=O)NCc2ccn(C3CCCC3)n2)cn1 ZINC000263438919 163968332 /nfs/dbraw/zinc/96/83/32/163968332.db2.gz PGEQHLULJMERPU-UHFFFAOYSA-N -1 0 315.333 1.416 50 0 DDAARM CCc1nc2cc(NC=O)cc(C(=O)[O-])c2n1CCCOC ZINC000299769740 410615710 /nfs/dbraw/zinc/61/57/10/410615710.db2.gz UGFWHVQYFKJLOP-UHFFFAOYSA-N -1 0 305.334 1.902 50 0 DDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745093 423027459 /nfs/dbraw/zinc/02/74/59/423027459.db2.gz QFSGYDLCTAOEDV-QMMMGPOBSA-N -1 0 305.338 1.060 50 0 DDAARM COc1ccc([C@@H](C)C(=O)Nc2ncn(CC(=O)[O-])n2)cc1 ZINC000647781055 423045781 /nfs/dbraw/zinc/04/57/81/423045781.db2.gz ZOKPVJUNYCTXEG-SECBINFHSA-N -1 0 304.306 1.114 50 0 DDAARM C[C@@H](CC(=O)Nc1ncn(CC(=O)[O-])n1)c1ccc(F)cc1 ZINC000647782636 423047221 /nfs/dbraw/zinc/04/72/21/423047221.db2.gz VUMFKFHTZHXCNH-VIFPVBQESA-N -1 0 306.297 1.634 50 0 DDAARM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000069675080 418488575 /nfs/dbraw/zinc/48/85/75/418488575.db2.gz PHBHXEFPPJMSJT-UHFFFAOYSA-N -1 0 320.370 2.286 50 0 DDAARM CCOCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000103568988 418496457 /nfs/dbraw/zinc/49/64/57/418496457.db2.gz VNABJXTZILOJCP-UHFFFAOYSA-N -1 0 321.402 1.471 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cccnc1 ZINC000109414868 418500206 /nfs/dbraw/zinc/50/02/06/418500206.db2.gz SCFSYLPNXDTSAT-UHFFFAOYSA-N -1 0 313.338 1.749 50 0 DDAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)CN1CCCC1=O)c1ccccc1 ZINC000119904607 418503056 /nfs/dbraw/zinc/50/30/56/418503056.db2.gz CTWAMSUJQCMTMD-ABAIWWIYSA-N -1 0 304.346 1.187 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)NCC[C@H]2CCCOC2)c1 ZINC000426501947 419490264 /nfs/dbraw/zinc/49/02/64/419490264.db2.gz XNQOLZNRSCSNEZ-LLVKDONJSA-N -1 0 307.346 1.940 50 0 DDAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@H](C)Cc2cnccn2)c1 ZINC000426712763 419535879 /nfs/dbraw/zinc/53/58/79/419535879.db2.gz ORKYRQKPMIICAV-SNVBAGLBSA-N -1 0 315.329 1.544 50 0 DDAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299750503 229393028 /nfs/dbraw/zinc/39/30/28/229393028.db2.gz NPOXPPSXYBAZEU-LLVKDONJSA-N -1 0 320.301 1.098 50 0 DDAARM COc1ccc(CCC(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000299752455 229395753 /nfs/dbraw/zinc/39/57/53/229395753.db2.gz UEFZUTZZMGTTRU-UHFFFAOYSA-N -1 0 321.373 1.720 50 0 DDAARM COCC(C)(C)N1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000425259259 420331137 /nfs/dbraw/zinc/33/11/37/420331137.db2.gz SPKYPTHHAKRSOX-UHFFFAOYSA-N -1 0 320.389 1.568 50 0 DDAARM C[C@H]1CCc2c(sc(NC(=O)/C=C\C(=O)[O-])c2C(N)=O)C1 ZINC000006073008 300087592 /nfs/dbraw/zinc/08/75/92/300087592.db2.gz KXNCBDSJOMTCSV-MJSGSUOKSA-N -1 0 308.359 1.551 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000492184000 421210466 /nfs/dbraw/zinc/21/04/66/421210466.db2.gz SBQHJSHKOLLFSL-HWKANZROSA-N -1 0 321.329 1.031 50 0 DDAARM Cc1c(C(=O)NC[C@@H](C)C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000518540387 421658994 /nfs/dbraw/zinc/65/89/94/421658994.db2.gz JYMLYULFCVPDBA-SSDOTTSWSA-N -1 0 324.287 1.304 50 0 DDAARM CC1(C)OC[C@@H]2C[C@@]21NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000630239644 421983814 /nfs/dbraw/zinc/98/38/14/421983814.db2.gz YXQSABVSXDIELV-MEDUHNTESA-N -1 0 305.330 1.447 50 0 DDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cn1 ZINC000640879507 423253070 /nfs/dbraw/zinc/25/30/70/423253070.db2.gz REIGAQKXPHBVHG-LBPRGKRZSA-N -1 0 313.313 1.688 50 0 DDAARM O=C([O-])COc1cccc(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 ZINC000659752811 424217800 /nfs/dbraw/zinc/21/78/00/424217800.db2.gz DYQJIOWVZNQGAG-GFCCVEGCSA-N -1 0 315.329 1.160 50 0 DDAARM CC(C)[C@@H]1C(=O)NCCN1C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000299748295 279932475 /nfs/dbraw/zinc/93/24/75/279932475.db2.gz GTPPCJPITNQLMZ-OAHLLOKOSA-N -1 0 318.373 1.300 50 0 DDAARM COC[C@@](C)(NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000237224774 292951309 /nfs/dbraw/zinc/95/13/09/292951309.db2.gz WGCLJPDISRDIDY-MRXNPFEDSA-N -1 0 323.393 1.735 50 0 DDAARM Cc1cc(CC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)no1 ZINC000195551031 301268992 /nfs/dbraw/zinc/26/89/92/301268992.db2.gz FCOVZYHOWSQFPP-CYBMUJFWSA-N -1 0 306.293 1.997 50 0 DDAARM Cc1ccc(CN2C[C@@H](C(=O)N(C)CCC(=O)[O-])CC2=O)cc1 ZINC000268934954 301585406 /nfs/dbraw/zinc/58/54/06/301585406.db2.gz NJUNVYYAFGZYBQ-AWEZNQCLSA-N -1 0 318.373 1.277 50 0 DDAARM Cc1nc(C(C)C)ncc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000072469982 302564544 /nfs/dbraw/zinc/56/45/44/302564544.db2.gz IJCYEUKAGOJFIU-LLVKDONJSA-N -1 0 307.350 1.224 50 0 DDAARM Cc1sc(Br)cc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000084028481 302879867 /nfs/dbraw/zinc/87/98/67/302879867.db2.gz IIZYUQJXHNZZNC-UHFFFAOYSA-N -1 0 323.197 1.738 50 0 DDAARM Cn1ncc2c1NC(=O)CS[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000049546918 303059121 /nfs/dbraw/zinc/05/91/21/303059121.db2.gz ZHEPUHAHKKKSAU-LBPRGKRZSA-N -1 0 303.343 1.893 50 0 DDAARM NC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000237909282 303297547 /nfs/dbraw/zinc/29/75/47/303297547.db2.gz PUGYLNCNYKCJKG-CYBMUJFWSA-N -1 0 304.346 1.041 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2nc3ccccc3o2)CCO1 ZINC000387122683 325763809 /nfs/dbraw/zinc/76/38/09/325763809.db2.gz HVWWMQDBNOPGKS-FOQNGQEVSA-N -1 0 302.286 1.153 50 0 DDAARM CCc1nc(S([O-])=CC(=O)N(C)Cc2ccc(F)cc2)n[nH]1 ZINC000086330782 484004628 /nfs/dbraw/zinc/00/46/28/484004628.db2.gz VOXFSYJRIAALNO-JOCHJYFZSA-N -1 0 324.381 1.272 50 0 DDAARM COc1ccccc1C/C(C)=C/C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000328592982 533983439 /nfs/dbraw/zinc/98/34/39/533983439.db2.gz PFAZVOZWIVSGLA-PABFRNLHSA-N -1 0 319.357 1.496 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)CCO1 ZINC000299741909 534503766 /nfs/dbraw/zinc/50/37/66/534503766.db2.gz HRLUMWMLOKDVPU-IUODEOHRSA-N -1 0 305.330 1.003 50 0 DDAARM CC(C)[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000299750197 528351448 /nfs/dbraw/zinc/35/14/48/528351448.db2.gz MUOYMIKVFYYZAT-XQHKEYJVSA-N -1 0 300.399 1.052 50 0 DDAARM CCCOc1ccc(/C=C/C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000492182171 528638692 /nfs/dbraw/zinc/63/86/92/528638692.db2.gz OBMPMKUUIHNIHZ-SBJJXXPASA-N -1 0 319.357 1.801 50 0 DDAARM COc1ccccc1C/C(C)=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000606441117 600059799 /nfs/dbraw/zinc/05/97/99/600059799.db2.gz PFAZVOZWIVSGLA-KUGGDMIFSA-N -1 0 319.357 1.496 50 0 DDAARM Cc1cc(C[C@H](C)NC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000263122745 698492562 /nfs/dbraw/zinc/49/25/62/698492562.db2.gz CLAQAMYESBFZFF-JFGNBEQYSA-N -1 0 308.382 1.401 50 0 DDAARM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C)C1 ZINC000864095959 706066519 /nfs/dbraw/zinc/06/65/19/706066519.db2.gz PPYPFWNOIIOAPC-VIFPVBQESA-N -1 0 317.338 1.242 50 0 DDAARM COc1cc[nH]c(=NNC(=O)[C@H]2C[C@@H]2c2ccccc2F)n1 ZINC000073545961 539033519 /nfs/dbraw/zinc/03/35/19/539033519.db2.gz ICRMYEXSBXZTEX-MNOVXSKESA-N -1 0 302.309 1.871 50 0 DDAARM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000225435090 201708482 /nfs/dbraw/zinc/70/84/82/201708482.db2.gz KMEGKFBSYXKHNN-QMMMGPOBSA-N -1 0 303.384 1.191 50 0 DDAARM COCCOCC(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000095393696 185352053 /nfs/dbraw/zinc/35/20/53/185352053.db2.gz YBYGGJGLAZTPBC-GFCCVEGCSA-N -1 0 315.753 1.635 50 0 DDAARM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(OCC2CC2)c(F)c1 ZINC000095413215 185357971 /nfs/dbraw/zinc/35/79/71/185357971.db2.gz XFTFMNSQPLBFCV-MRVPVSSYSA-N -1 0 320.324 1.517 50 0 DDAARM CC(C)c1nc(CC(=O)NCCSCC(=O)[O-])cs1 ZINC000095425369 185361631 /nfs/dbraw/zinc/36/16/31/185361631.db2.gz LBYFBHLIVOHHPY-UHFFFAOYSA-N -1 0 302.421 1.743 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 ZINC000095427757 185362110 /nfs/dbraw/zinc/36/21/10/185362110.db2.gz KOOHGJYLDZFEFA-HIFRSBDPSA-N -1 0 316.357 1.187 50 0 DDAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc3nnn([O-])c3c2)C1 ZINC000002653948 297232804 /nfs/dbraw/zinc/23/28/04/297232804.db2.gz GOEBFSMTHRKBBL-NXEZZACHSA-N -1 0 310.379 1.335 50 0 DDAARM CNC(=O)c1ccc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000491907190 529934518 /nfs/dbraw/zinc/93/45/18/529934518.db2.gz RUDVSHOJBKZZAN-YHAOYDPOSA-N -1 0 316.357 1.525 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@H]1CCCOC1)c1ccc2c(c1)CCO2 ZINC000262864050 186316010 /nfs/dbraw/zinc/31/60/10/186316010.db2.gz APIMTKPCQMSLCY-JSGCOSHPSA-N -1 0 305.330 1.290 50 0 DDAARM Cc1cc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)no1 ZINC000262883513 186318219 /nfs/dbraw/zinc/31/82/19/186318219.db2.gz BWQDQDDWGKWRCK-CQSZACIVSA-N -1 0 306.293 1.915 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)c1cc[nH]c1)C2 ZINC000072423333 191158566 /nfs/dbraw/zinc/15/85/66/191158566.db2.gz RKNRTWLFNBZUFE-UHFFFAOYSA-N -1 0 302.334 1.275 50 0 DDAARM O=C([O-])c1ccnc(-c2ccnc(NC[C@@H]3COCCO3)n2)c1 ZINC000072481355 191180726 /nfs/dbraw/zinc/18/07/26/191180726.db2.gz UGXNHTPPLYTCBI-LLVKDONJSA-N -1 0 316.317 1.064 50 0 DDAARM COc1ccc(-c2cc(=O)n([C@@H]3CCS(=O)(=O)C3)[n-]2)cc1 ZINC000049551818 352555577 /nfs/dbraw/zinc/55/55/77/352555577.db2.gz COFMNRCERIKATE-LLVKDONJSA-N -1 0 308.359 1.212 50 0 DDAARM COc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])cc1 ZINC000003289257 181001028 /nfs/dbraw/zinc/00/10/28/181001028.db2.gz SHGHKXMUEWMGNJ-LLVKDONJSA-N -1 0 319.404 1.180 50 0 DDAARM CCOC(=O)c1cnn(-c2ccc(Cl)c(C(=O)[O-])c2)c1N ZINC000003298465 181002453 /nfs/dbraw/zinc/00/24/53/181002453.db2.gz UZGCOCBQEXAELA-UHFFFAOYSA-N -1 0 309.709 1.983 50 0 DDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nncn1C ZINC000003378568 181013345 /nfs/dbraw/zinc/01/33/45/181013345.db2.gz CSWVDFQQNOTSIL-UHFFFAOYSA-N -1 0 306.347 1.553 50 0 DDAARM C[C@H](CNC(=O)c1ccc(F)c(Cl)c1F)c1nnn[n-]1 ZINC000097102555 353917144 /nfs/dbraw/zinc/91/71/44/353917144.db2.gz BYCVKJVFJRXKQI-RXMQYKEDSA-N -1 0 301.684 1.665 50 0 DDAARM CCN(c1ccccc1F)S(=O)(=O)[N-]C(=O)CC1CC1 ZINC000195576452 354298512 /nfs/dbraw/zinc/29/85/12/354298512.db2.gz IGJVANGWVPNSHR-UHFFFAOYSA-N -1 0 300.355 1.813 50 0 DDAARM CN1C(=O)CCc2cc(S(=O)(=O)[N-]c3nccs3)ccc21 ZINC000074934988 191389429 /nfs/dbraw/zinc/38/94/29/191389429.db2.gz OUMVJOVAYYLFLO-UHFFFAOYSA-N -1 0 323.399 1.853 50 0 DDAARM CCO[C@@H](C)c1nc(CC(=O)N2CCC[C@@H]2C(=O)[O-])cs1 ZINC000237031774 202128497 /nfs/dbraw/zinc/12/84/97/202128497.db2.gz CDUFNSKFQIKJRZ-GXSJLCMTSA-N -1 0 312.391 1.859 50 0 DDAARM C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237376202 202248339 /nfs/dbraw/zinc/24/83/39/202248339.db2.gz QIBLDOWGXHVLGA-RDBSUJKOSA-N -1 0 312.410 1.247 50 0 DDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1c[nH]nc1C1CCCCC1 ZINC000072174603 304078351 /nfs/dbraw/zinc/07/83/51/304078351.db2.gz ILHHOWULMVEBQU-GFCCVEGCSA-N -1 0 321.377 1.773 50 0 DDAARM Cc1nc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)n[nH]1 ZINC000237676688 202325256 /nfs/dbraw/zinc/32/52/56/202325256.db2.gz WWFWZGQXMLHRKP-LBPRGKRZSA-N -1 0 300.318 1.327 50 0 DDAARM CCc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)[nH]1 ZINC000005967790 181302346 /nfs/dbraw/zinc/30/23/46/181302346.db2.gz JJBVENHKGJXLHJ-UHFFFAOYSA-N -1 0 306.347 1.796 50 0 DDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000029010032 304099684 /nfs/dbraw/zinc/09/96/84/304099684.db2.gz NGVCZDQOULFRBJ-WDEREUQCSA-N -1 0 316.313 1.623 50 0 DDAARM COc1ccc2[nH]c(=O)c(CN3CCOC[C@@H]3C(=O)[O-])cc2c1 ZINC000253536748 202897996 /nfs/dbraw/zinc/89/79/96/202897996.db2.gz NBVNNBMDEUHPSW-CQSZACIVSA-N -1 0 318.329 1.234 50 0 DDAARM C[C@@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)[O-])cc(Cl)c2O1 ZINC000261697527 203096921 /nfs/dbraw/zinc/09/69/21/203096921.db2.gz CKZIQEIRWOVSNH-SSDOTTSWSA-N -1 0 319.766 1.369 50 0 DDAARM COc1ccc(CCCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000262700922 203386652 /nfs/dbraw/zinc/38/66/52/203386652.db2.gz CEAGIHIXEWXPHR-HNNXBMFYSA-N -1 0 321.373 1.720 50 0 DDAARM CSCC(=O)N1C[C@H]2COc3ccccc3C[C@@]2(C(=O)[O-])C1 ZINC000095354235 193427435 /nfs/dbraw/zinc/42/74/35/193427435.db2.gz YQVVVJUGOAUHFE-BLLLJJGKSA-N -1 0 321.398 1.514 50 0 DDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000013321005 304174184 /nfs/dbraw/zinc/17/41/84/304174184.db2.gz MYYRWUZHEGZZRY-HOAMVYINSA-N -1 0 323.389 1.489 50 0 DDAARM O=C([O-])CCS(=O)(=O)Cc1cccc(Br)c1 ZINC000019486353 182125453 /nfs/dbraw/zinc/12/54/53/182125453.db2.gz ZQKRBSDSEBBJFQ-UHFFFAOYSA-N -1 0 307.165 1.839 50 0 DDAARM Cc1cc(NC(=O)c2c(C(=O)[O-])cnn2C)n(CC(F)F)n1 ZINC000020616725 182239166 /nfs/dbraw/zinc/23/91/66/182239166.db2.gz RBWPQEKKJBGZCG-UHFFFAOYSA-N -1 0 313.264 1.141 50 0 DDAARM CCc1nc2n(n1)[C@@H](c1ccc(O)c(OC)c1)CC(C(=O)[O-])=N2 ZINC000020724989 182244615 /nfs/dbraw/zinc/24/46/15/182244615.db2.gz FLRGKFMXFXBFGL-SNVBAGLBSA-N -1 0 316.317 1.538 50 0 DDAARM CC(C)n1nnnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000021733687 182287360 /nfs/dbraw/zinc/28/73/60/182287360.db2.gz XSRJOTSUKVVANC-UHFFFAOYSA-N -1 0 308.392 1.844 50 0 DDAARM C[C@]12CCC(=O)N1[C@H](C(=O)[N-]OCc1ccccc1)CS2 ZINC000025286521 182407521 /nfs/dbraw/zinc/40/75/21/182407521.db2.gz ONAVIPQHPCMDES-WFASDCNBSA-N -1 0 306.387 1.688 50 0 DDAARM COc1ccc(CCC(=O)N(CC(=O)[O-])C2CC2)cc1OC ZINC000057638104 184043451 /nfs/dbraw/zinc/04/34/51/184043451.db2.gz WAIBRQLLSFXMOE-UHFFFAOYSA-N -1 0 307.346 1.712 50 0 DDAARM Cc1cccc(O[C@H](C)C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000269027609 207177471 /nfs/dbraw/zinc/17/74/71/207177471.db2.gz LCINRUZMKXFCRO-TZMCWYRMSA-N -1 0 307.346 1.464 50 0 DDAARM CN(CCC(=O)[O-])C(=O)c1ccccc1COC1CCOCC1 ZINC000269093782 207235545 /nfs/dbraw/zinc/23/55/45/207235545.db2.gz XWSBYLCAFLYSLD-UHFFFAOYSA-N -1 0 321.373 1.929 50 0 DDAARM O=C([O-])c1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)s1 ZINC000262763805 304233224 /nfs/dbraw/zinc/23/32/24/304233224.db2.gz KSJIPGAEJOUZBM-DTWKUNHWSA-N -1 0 308.359 1.330 50 0 DDAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000000139298 406623940 /nfs/dbraw/zinc/62/39/40/406623940.db2.gz DYSKDKDFBRJGTB-VIFPVBQESA-N -1 0 305.286 1.070 50 0 biogenic DDAARM COCc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000000199396 406629551 /nfs/dbraw/zinc/62/95/51/406629551.db2.gz HWANRMZBMRDSNS-UHFFFAOYSA-N -1 0 315.376 1.494 50 0 DDAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc3nnn([O-])c3c2)C1 ZINC000002653949 406692528 /nfs/dbraw/zinc/69/25/28/406692528.db2.gz GOEBFSMTHRKBBL-UWVGGRQHSA-N -1 0 310.379 1.335 50 0 DDAARM O=C([O-])CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1 ZINC000002633012 406694192 /nfs/dbraw/zinc/69/41/92/406694192.db2.gz QRXVDARPOCYEEF-UHFFFAOYSA-N -1 0 313.306 1.694 50 0 DDAARM O=C([O-])CN(Cc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000306830 406638988 /nfs/dbraw/zinc/63/89/88/406638988.db2.gz FCKRXCSEKNQVMQ-UHFFFAOYSA-N -1 0 305.355 1.962 50 0 DDAARM Cn1cccc1C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069595722 406739895 /nfs/dbraw/zinc/73/98/95/406739895.db2.gz UIWURCWZAHZKFL-UHFFFAOYSA-N -1 0 315.354 1.692 50 0 DDAARM COc1ccc(Br)cc1/C=C/C(=O)NCC(=O)[O-] ZINC000003029744 406710178 /nfs/dbraw/zinc/71/01/78/406710178.db2.gz SSUTVDFFMWGYMS-GORDUTHDSA-N -1 0 314.135 1.672 50 0 biogenic DDAARM OC(=Cc1[nH]c([S-])nc1O)c1ccc(Br)cc1 ZINC000003056910 406712249 /nfs/dbraw/zinc/71/22/49/406712249.db2.gz AREVHGLWNYGHSY-QMMMGPOBSA-N -1 0 313.176 1.395 50 0 DDAARM CSCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000008238203 406781383 /nfs/dbraw/zinc/78/13/83/406781383.db2.gz OLZMFHFHYJXQLF-LLVKDONJSA-N -1 0 300.355 1.831 50 0 DDAARM O=C([O-])Cn1cc(-c2ccc(Br)cc2)ncc1=O ZINC000011920668 406832498 /nfs/dbraw/zinc/83/24/98/406832498.db2.gz JEVHJICSXUHQEH-UHFFFAOYSA-N -1 0 309.119 1.757 50 0 DDAARM CN1C(=O)COc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)cc21 ZINC000071285465 406836602 /nfs/dbraw/zinc/83/66/02/406836602.db2.gz ZEYDBAFKDFMGGB-STQMWFEESA-N -1 0 318.329 1.337 50 0 DDAARM COC(=O)c1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071286194 406837724 /nfs/dbraw/zinc/83/77/24/406837724.db2.gz ANMCAHVTGSLBSX-NEPJUHHUSA-N -1 0 321.329 1.777 50 0 DDAARM COCCCNC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013034630 406858785 /nfs/dbraw/zinc/85/87/85/406858785.db2.gz WSGXSARNWNPRIE-UHFFFAOYSA-N -1 0 301.726 1.570 50 0 DDAARM Cc1cccc(C(=O)N2CCCC2)c1[N-]S(=O)(=O)N(C)C ZINC000071916551 406868260 /nfs/dbraw/zinc/86/82/60/406868260.db2.gz UFWRLHOFWAAPCV-UHFFFAOYSA-N -1 0 311.407 1.449 50 0 DDAARM COc1ccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020319218 406886683 /nfs/dbraw/zinc/88/66/83/406886683.db2.gz AARGVCIXZMJVHH-SECBINFHSA-N -1 0 303.318 1.618 50 0 DDAARM COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000012389698 406844464 /nfs/dbraw/zinc/84/44/64/406844464.db2.gz KMEGANCNTUDJBM-LLVKDONJSA-N -1 0 302.290 1.279 50 0 DDAARM NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1 ZINC000075106931 406921500 /nfs/dbraw/zinc/92/15/00/406921500.db2.gz YZTBDMNIPWQJJE-UHFFFAOYSA-N -1 0 310.306 1.431 50 0 DDAARM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000044936019 407034145 /nfs/dbraw/zinc/03/41/45/407034145.db2.gz VMPAXFFRWJETLJ-SECBINFHSA-N -1 0 301.318 1.528 50 0 DDAARM O=C(/C=C\c1ccccc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000096291765 407258381 /nfs/dbraw/zinc/25/83/81/407258381.db2.gz NUZMFNTXZUTUOK-CMUBDUJZSA-N -1 0 309.387 1.715 50 0 DDAARM Cc1cc(C(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])c(C)o1 ZINC000095357455 407208475 /nfs/dbraw/zinc/20/84/75/407208475.db2.gz XVXWKWFJHKJKCP-LBPRGKRZSA-N -1 0 320.345 1.092 50 0 DDAARM CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095378382 407210648 /nfs/dbraw/zinc/21/06/48/407210648.db2.gz OOQCQYZRZKLKCM-CYBMUJFWSA-N -1 0 312.391 1.371 50 0 DDAARM Cc1c(C(=O)NC[C@@H](C)C(=O)[O-])cnn1Cc1ccccc1 ZINC000095970591 407218559 /nfs/dbraw/zinc/21/85/59/407218559.db2.gz AQZDQHDGINFIQE-LLVKDONJSA-N -1 0 301.346 1.690 50 0 DDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccc(Cl)cc2)CCO1 ZINC000095970716 407218821 /nfs/dbraw/zinc/21/88/21/407218821.db2.gz IXRRAWLKAZQTPM-CYBMUJFWSA-N -1 0 311.765 1.975 50 0 DDAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C)c(OC)c1OC ZINC000062715978 407231636 /nfs/dbraw/zinc/23/16/36/407231636.db2.gz NGSHHQFBVBUOOQ-BXKDBHETSA-N -1 0 309.318 1.316 50 0 DDAARM CCCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000101675399 407314511 /nfs/dbraw/zinc/31/45/11/407314511.db2.gz KLYPVAGFVBSCGX-GFCCVEGCSA-N -1 0 301.306 1.445 50 0 DDAARM CCC[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1nnn[n-]1 ZINC000096466432 407269615 /nfs/dbraw/zinc/26/96/15/407269615.db2.gz PPLLJYBLZXLZAV-MRVPVSSYSA-N -1 0 314.271 1.885 50 0 DDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccc(N(C)C)cc1)C(=O)[O-] ZINC000067894917 407288885 /nfs/dbraw/zinc/28/88/85/407288885.db2.gz HDWDPUGURQJIAO-AWEZNQCLSA-N -1 0 316.361 1.648 50 0 DDAARM COc1cccc(Cl)c1CC(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000124625836 407364269 /nfs/dbraw/zinc/36/42/69/407364269.db2.gz PNJGDRIQLJZXJR-VIFPVBQESA-N -1 0 323.784 1.666 50 0 DDAARM CNC(=O)[C@@H]1CCCCN1Cc1ccccc1OCC(=O)[O-] ZINC000216387976 407496219 /nfs/dbraw/zinc/49/62/19/407496219.db2.gz GDIBBGCYVVJSAA-ZDUSSCGKSA-N -1 0 306.362 1.251 50 0 DDAARM Cn1ncc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1-n1cccc1 ZINC000225443246 407585311 /nfs/dbraw/zinc/58/53/11/407585311.db2.gz JBTMJROODNYZHI-LLVKDONJSA-N -1 0 302.334 1.148 50 0 DDAARM Cc1cnc2c(cccc2S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000171383016 407677087 /nfs/dbraw/zinc/67/70/87/407677087.db2.gz KFABSJQSUIVFKT-LBPRGKRZSA-N -1 0 320.370 1.638 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)ccc21 ZINC000236590823 407730693 /nfs/dbraw/zinc/73/06/93/407730693.db2.gz WHQZMFMGVCZSNE-ZDUSSCGKSA-N -1 0 302.330 1.142 50 0 DDAARM Cc1noc(C)c1[C@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237400593 407816073 /nfs/dbraw/zinc/81/60/73/407816073.db2.gz VEFAENVKURWWBG-VIFPVBQESA-N -1 0 310.350 1.487 50 0 DDAARM O=C([O-])CCN(C(=O)c1cc(Cl)c[nH]1)C1CCOCC1 ZINC000238073481 407884534 /nfs/dbraw/zinc/88/45/34/407884534.db2.gz JWNPFXLYGYYDMH-UHFFFAOYSA-N -1 0 300.742 1.764 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000238087567 407885721 /nfs/dbraw/zinc/88/57/21/407885721.db2.gz UQEAJZLGFYQWDT-NSHDSACASA-N -1 0 318.304 1.956 50 0 DDAARM O=C([O-])Cn1ccc(NC(=O)c2cnc([C@@H]3CCCO3)s2)n1 ZINC000262823558 407947827 /nfs/dbraw/zinc/94/78/27/407947827.db2.gz WJOQUJGEZCMSKD-QMMMGPOBSA-N -1 0 322.346 1.528 50 0 DDAARM CN(CC(=O)N1CCC[C@](C)(C(=O)[O-])C1)Cc1ccncc1 ZINC000244874608 407941480 /nfs/dbraw/zinc/94/14/80/407941480.db2.gz XEEBEYWWZPMOFV-INIZCTEOSA-N -1 0 305.378 1.227 50 0 DDAARM C[C@H](NC(=O)c1ccoc1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000263080257 408019109 /nfs/dbraw/zinc/01/91/09/408019109.db2.gz UVGDILMNMDNVKL-UKJIMTQDSA-N -1 0 320.345 1.110 50 0 DDAARM Cc1cc(F)c(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1F ZINC000263205510 408055447 /nfs/dbraw/zinc/05/54/47/408055447.db2.gz YDFFCHMKDFFHOK-RKDXNWHRSA-N -1 0 319.329 1.614 50 0 DDAARM O=C([O-])c1cnc(NCC(=O)N2CCCc3ccccc32)cn1 ZINC000263491219 408154032 /nfs/dbraw/zinc/15/40/32/408154032.db2.gz INWACWILZSMYRA-UHFFFAOYSA-N -1 0 312.329 1.566 50 0 DDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000248844704 408646138 /nfs/dbraw/zinc/64/61/38/408646138.db2.gz AFQLWBMCGLYSDH-IJLUTSLNSA-N -1 0 322.748 1.282 50 0 DDAARM Cc1nn(C)c(C)c1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000261784315 163703064 /nfs/dbraw/zinc/70/30/64/163703064.db2.gz SHXZZQVDTQSVDR-HNNXBMFYSA-N -1 0 313.357 1.861 50 0 DDAARM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293888762 409201364 /nfs/dbraw/zinc/20/13/64/409201364.db2.gz GHFGYHBSLFLXAM-GFCCVEGCSA-N -1 0 320.324 1.092 50 0 DDAARM Cc1ccn2cc(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)nc2c1 ZINC000262737980 163871438 /nfs/dbraw/zinc/87/14/38/163871438.db2.gz HXYAGFGQTKITGI-SMDDNHRTSA-N -1 0 317.345 1.252 50 0 DDAARM O=C([O-])Cn1cnc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)n1 ZINC000647782676 423047499 /nfs/dbraw/zinc/04/74/99/423047499.db2.gz XLIVLCXIRWDJOV-ZJUUUORDSA-N -1 0 320.736 1.758 50 0 DDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000044979084 418436566 /nfs/dbraw/zinc/43/65/66/418436566.db2.gz LCXGIEJJXNOLKC-DZGCQCFKSA-N -1 0 319.357 1.678 50 0 DDAARM Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])C2)n1 ZINC000046087484 418445187 /nfs/dbraw/zinc/44/51/87/418445187.db2.gz JSKLBSBDTASBPH-UPJWGTAASA-N -1 0 319.361 1.751 50 0 DDAARM CC(C)(C)C(=O)[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000049514610 418478161 /nfs/dbraw/zinc/47/81/61/418478161.db2.gz MDAJFSIBAYIMEL-UHFFFAOYSA-N -1 0 315.782 1.839 50 0 DDAARM COc1cccc(NCc2nn3c([n-]2)nc2c(c3=O)CCC2)c1 ZINC000101803504 418494863 /nfs/dbraw/zinc/49/48/63/418494863.db2.gz HPFOGUTXCHKBPF-UHFFFAOYSA-N -1 0 311.345 1.527 50 0 DDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000119571555 418503257 /nfs/dbraw/zinc/50/32/57/418503257.db2.gz LHUJEUCEQLUDKK-XJKSGUPXSA-N -1 0 304.346 1.939 50 0 DDAARM Cc1cc(C(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)no1 ZINC000426485770 419484642 /nfs/dbraw/zinc/48/46/42/419484642.db2.gz OOTIUWCHZLLOQB-LLVKDONJSA-N -1 0 318.333 1.284 50 0 DDAARM O=C([O-])CC1(NC(=O)CCCN2CCOCC2)CCCCC1 ZINC000426441758 419471269 /nfs/dbraw/zinc/47/12/69/419471269.db2.gz LAPHHWLGZZGOGZ-UHFFFAOYSA-N -1 0 312.410 1.393 50 0 DDAARM Cc1ccc([C@@]2(C(=O)NCCCc3nnn[n-]3)CC2(C)C)cc1 ZINC000426544457 419503076 /nfs/dbraw/zinc/50/30/76/419503076.db2.gz RJTGBCHSANINMO-QGZVFWFLSA-N -1 0 313.405 1.925 50 0 DDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2CCOc3ccccc32)CCO1 ZINC000299752524 229395839 /nfs/dbraw/zinc/39/58/39/229395839.db2.gz ULMPHDCORAPOLN-STQMWFEESA-N -1 0 319.357 1.645 50 0 DDAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N=c2ccn(CC(=O)[O-])[nH]2)o1 ZINC000492185630 421211081 /nfs/dbraw/zinc/21/10/81/421211081.db2.gz ZKOIFZCNHBYVFY-FTXDBJGXSA-N -1 0 315.329 1.758 50 0 DDAARM Cc1cn(CC(=O)N2CCC[C@@H]2C(=O)[O-])nc1C(F)(F)F ZINC000630172245 421937067 /nfs/dbraw/zinc/93/70/67/421937067.db2.gz CABQHNVPXAJVTL-MRVPVSSYSA-N -1 0 305.256 1.286 50 0 DDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CSc3ccccc3O2)C1 ZINC000583652297 422211352 /nfs/dbraw/zinc/21/13/52/422211352.db2.gz DBHZSLBGTOTWGP-JQWIXIFHSA-N -1 0 307.371 1.863 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CSc3ccccc3O2)C1 ZINC000583652299 422212167 /nfs/dbraw/zinc/21/21/67/422212167.db2.gz DBHZSLBGTOTWGP-ZYHUDNBSSA-N -1 0 307.371 1.863 50 0 DDAARM C[C@@H]1Oc2cc(S(=O)(=O)[N-]c3ccccn3)ccc2NC1=O ZINC000252495991 297653758 /nfs/dbraw/zinc/65/37/58/297653758.db2.gz PECGMRINWDXJBU-VIFPVBQESA-N -1 0 319.342 1.602 50 0 DDAARM Cn1cnc(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)n1 ZINC000263467808 303012399 /nfs/dbraw/zinc/01/23/99/303012399.db2.gz WZVIIQAWQKLCBY-CYBMUJFWSA-N -1 0 314.345 1.561 50 0 DDAARM Cc1cc(C)c2[nH]c(CN3C[C@H](O)C[C@H]3C(=O)[O-])cc(=O)c2c1 ZINC000534583387 334289704 /nfs/dbraw/zinc/28/97/04/334289704.db2.gz NUTGUZQPJWUBAL-OCCSQVGLSA-N -1 0 316.357 1.165 50 0 DDAARM CCCc1ncncc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000534585818 334291819 /nfs/dbraw/zinc/29/18/19/334291819.db2.gz IXXPWAOKCYHOLA-UHFFFAOYSA-N -1 0 320.374 1.556 50 0 DDAARM Cn1nc(CN2C[C@H](O)C[C@H]2C(=O)[O-])c2c1cccc2Cl ZINC000534661135 334321770 /nfs/dbraw/zinc/32/17/70/334321770.db2.gz KFOJDTVHWXCXGJ-PELKAZGASA-N -1 0 309.753 1.247 50 0 DDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cnc(-c2ccsc2)s1 ZINC000299750599 534539449 /nfs/dbraw/zinc/53/94/49/534539449.db2.gz OAQUFFWULSJIMA-SECBINFHSA-N -1 0 324.383 1.797 50 0 DDAARM Cc1csc(N2CCC(C(=O)N3CC[C@H](C(=O)[O-])C3)CC2)n1 ZINC000299745311 534826267 /nfs/dbraw/zinc/82/62/67/534826267.db2.gz XUQMIMQNCDBRRY-LBPRGKRZSA-N -1 0 323.418 1.601 50 0 DDAARM CC(C)[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)C(=O)[O-] ZINC000299743808 529084914 /nfs/dbraw/zinc/08/49/14/529084914.db2.gz MJQGMAWVRPBFKO-AAEUAGOBSA-N -1 0 322.386 1.715 50 0 DDAARM O=C([O-])C1CCC(NC(=O)c2cnc(C(F)(F)F)nc2)CC1 ZINC000263214732 698496815 /nfs/dbraw/zinc/49/68/15/698496815.db2.gz XGBLVAMSIIVBTR-UHFFFAOYSA-N -1 0 317.267 1.869 50 0 DDAARM CCc1nn(C)cc1[N-]S(=O)(=O)c1n[nH]c2ncccc21 ZINC000952882411 775640490 /nfs/dbraw/zinc/64/04/90/775640490.db2.gz VJTKZURIIKGCAM-UHFFFAOYSA-N -1 0 306.351 1.055 50 0 DDAARM Cc1nn(C)c([N-]S(=O)(=O)c2n[nH]c3ncccc32)c1C ZINC000952883676 775644457 /nfs/dbraw/zinc/64/44/57/775644457.db2.gz OPJLDRJUFGOSFI-UHFFFAOYSA-N -1 0 306.351 1.109 50 0 DDAARM CC(=O)N1CCc2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)ccc21 ZINC000236590843 201931405 /nfs/dbraw/zinc/93/14/05/201931405.db2.gz TXCRGPIYNTYQHE-KRWDZBQOSA-N -1 0 316.357 1.532 50 0 DDAARM CNc1nc(C)cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000263394147 290844457 /nfs/dbraw/zinc/84/44/57/290844457.db2.gz FDLUGZMKUJUUAC-WXHSDQCUSA-N -1 0 318.377 1.685 50 0 DDAARM O=C([O-])C1(O)CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 ZINC000071754769 191025140 /nfs/dbraw/zinc/02/51/40/191025140.db2.gz QBCOMPKEBDWRLD-UHFFFAOYSA-N -1 0 302.330 1.149 50 0 DDAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)C[C@@H]1C=CCC1)C2 ZINC000072135144 191045950 /nfs/dbraw/zinc/04/59/50/191045950.db2.gz ODHKPPSZHVHYQE-GFCCVEGCSA-N -1 0 303.362 1.599 50 0 DDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000181904676 186217219 /nfs/dbraw/zinc/21/72/19/186217219.db2.gz SXOCBSOIPGEORS-QWRGUYRKSA-N -1 0 301.701 1.900 50 0 DDAARM CCCOc1cccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC000072306797 191117512 /nfs/dbraw/zinc/11/75/12/191117512.db2.gz ACWDTLUVPWPRIN-UHFFFAOYSA-N -1 0 304.350 1.249 50 0 DDAARM COc1ccc(NC(=O)[C@H]2CCCCN2CC(=O)[O-])cc1OC ZINC000004714168 352112596 /nfs/dbraw/zinc/11/25/96/352112596.db2.gz NZKSYFMFSUCMKB-GFCCVEGCSA-N -1 0 322.361 1.581 50 0 DDAARM COc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc(OC)c1OC ZINC000000073948 180684659 /nfs/dbraw/zinc/68/46/59/180684659.db2.gz QTUHHHIOMGXNRY-GFCCVEGCSA-N -1 0 311.334 1.551 50 0 biogenic,in-vitro DDAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-] ZINC000001576111 180874713 /nfs/dbraw/zinc/87/47/13/180874713.db2.gz YJNQRRCNDSQTQO-ZDUSSCGKSA-N -1 0 322.361 1.528 50 0 DDAARM CC(C)=C(NC(=O)c1ccccc1)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000002299581 180918214 /nfs/dbraw/zinc/91/82/14/180918214.db2.gz UTCOQVOSDTUVTA-AWEZNQCLSA-N -1 0 318.373 1.936 50 0 DDAARM CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000002879548 180966485 /nfs/dbraw/zinc/96/64/85/180966485.db2.gz GPPTZARACSJHMG-UHFFFAOYSA-N -1 0 307.755 1.492 50 0 DDAARM COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003356056 181011163 /nfs/dbraw/zinc/01/11/63/181011163.db2.gz HYFHREOUADKXDP-SSDOTTSWSA-N -1 0 307.755 1.351 50 0 DDAARM CCNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000003394190 181014792 /nfs/dbraw/zinc/01/47/92/181014792.db2.gz NWFCKUNKCMNENA-UHFFFAOYSA-N -1 0 308.153 1.446 50 0 DDAARM COc1ccccc1NC(=O)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000004318866 181097092 /nfs/dbraw/zinc/09/70/92/181097092.db2.gz JVPAECXKEZTUBV-ZDUSSCGKSA-N -1 0 318.329 1.860 50 0 DDAARM COc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(O)c1 ZINC000182100686 354271921 /nfs/dbraw/zinc/27/19/21/354271921.db2.gz OFEFJFISGWUCLP-LBPRGKRZSA-N -1 0 302.334 1.886 50 0 DDAARM CC(C)(C)NC(=O)C(=O)[N-]C(=O)c1c(F)cccc1Cl ZINC000004382854 181104312 /nfs/dbraw/zinc/10/43/12/181104312.db2.gz ZOBAPQNBZWLGMM-UHFFFAOYSA-N -1 0 300.717 1.650 50 0 DDAARM COc1cc(=O)[nH]c(SCC(=O)N[C@H](C)c2ccccc2)n1 ZINC000004632316 181130706 /nfs/dbraw/zinc/13/07/06/181130706.db2.gz JTKLQIKKMKVWID-SNVBAGLBSA-N -1 0 319.386 1.748 50 0 DDAARM O=C([O-])c1cccc(NC(=O)c2ccnc(-n3cnnc3)c2)c1 ZINC000004786620 181152697 /nfs/dbraw/zinc/15/26/97/181152697.db2.gz NIRZNOKJTAUQFJ-UHFFFAOYSA-N -1 0 309.285 1.613 50 0 DDAARM CCS(=O)(=O)n1nc([O-])c2cc(Br)cnc21 ZINC000585136809 354812978 /nfs/dbraw/zinc/81/29/78/354812978.db2.gz TXKKNDUVHYGLMI-UHFFFAOYSA-N -1 0 306.141 1.097 50 0 DDAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCCNC(=O)C1 ZINC000584891934 354794572 /nfs/dbraw/zinc/79/45/72/354794572.db2.gz MHOZGVROZBIEHV-UHFFFAOYSA-N -1 0 303.293 1.042 50 0 DDAARM O=C([O-])CCCC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004656982 304045940 /nfs/dbraw/zinc/04/59/40/304045940.db2.gz RASWLHVGCNLLJG-NEPJUHHUSA-N -1 0 304.346 1.049 50 0 DDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000237281582 202216254 /nfs/dbraw/zinc/21/62/54/202216254.db2.gz FFKWTLJCVVZYDA-PWSUYJOCSA-N -1 0 313.300 1.628 50 0 DDAARM COc1ccc2nc(C(=O)N(CC(=O)[O-])C3CC3)ccc2c1 ZINC000237299753 202223473 /nfs/dbraw/zinc/22/34/73/202223473.db2.gz KAZLNWLMPVYDLG-UHFFFAOYSA-N -1 0 300.314 1.933 50 0 DDAARM Cc1nc(C)c(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)s1 ZINC000237600119 202299015 /nfs/dbraw/zinc/29/90/15/202299015.db2.gz HFFYIFMTJIHXPC-LLVKDONJSA-N -1 0 312.391 1.856 50 0 DDAARM Cn1c2ccccc2c(Cl)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237713695 202334408 /nfs/dbraw/zinc/33/44/08/202334408.db2.gz LOUCHXNUYPDMTC-NSHDSACASA-N -1 0 322.748 1.757 50 0 DDAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccnn1C ZINC000193790741 201125424 /nfs/dbraw/zinc/12/54/24/201125424.db2.gz FBNMEXIXHISXOL-UHFFFAOYSA-N -1 0 323.374 1.159 50 0 DDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000248844708 202767975 /nfs/dbraw/zinc/76/79/75/202767975.db2.gz AFQLWBMCGLYSDH-TUAOUCFPSA-N -1 0 322.748 1.282 50 0 DDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(OC)c2)c[nH]1 ZINC000006779718 181386507 /nfs/dbraw/zinc/38/65/07/181386507.db2.gz HFFRZJJATMQVNR-UHFFFAOYSA-N -1 0 310.331 1.611 50 0 DDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(O)cc2)C[C@H]1c1cccnc1 ZINC000091461757 193059379 /nfs/dbraw/zinc/05/93/79/193059379.db2.gz BBQWNQRXMQYZHF-LSDHHAIUSA-N -1 0 312.325 1.728 50 0 DDAARM COc1cccc(-c2cc(C(=O)N[C@H](C)c3nnn[n-]3)[nH]n2)c1 ZINC000091574293 193074770 /nfs/dbraw/zinc/07/47/70/193074770.db2.gz PHAWRGHRMRRELY-MRVPVSSYSA-N -1 0 313.321 1.089 50 0 DDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(C(=O)c1cccs1)CC2 ZINC000091848769 193117264 /nfs/dbraw/zinc/11/72/64/193117264.db2.gz HUOQCELICYATRQ-SNVBAGLBSA-N -1 0 322.386 1.286 50 0 DDAARM O=C([O-])CCc1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)cc1 ZINC000216005252 201478660 /nfs/dbraw/zinc/47/86/60/201478660.db2.gz RUFQQYVAKALSHR-CQSZACIVSA-N -1 0 313.357 1.732 50 0 DDAARM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(C(=O)[O-])co1 ZINC000262362970 203273885 /nfs/dbraw/zinc/27/38/85/203273885.db2.gz JLORAHNRKSNCBZ-LLVKDONJSA-N -1 0 317.297 1.890 50 0 DDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CC1CCOCC1 ZINC000268885465 304151929 /nfs/dbraw/zinc/15/19/29/304151929.db2.gz BYUPKNZDZNPLOR-HNNXBMFYSA-N -1 0 303.358 1.841 50 0 DDAARM COc1cc(CCC(=O)N2CCC[C@H]2C(=O)[O-])cc(OC)c1 ZINC000262685802 203381727 /nfs/dbraw/zinc/38/17/27/203381727.db2.gz DGBLLJPBPWOKBN-AWEZNQCLSA-N -1 0 307.346 1.712 50 0 DDAARM Cc1cc(C(F)(F)F)nn1CCCNC(=O)CCC(=O)[O-] ZINC000017031485 182069068 /nfs/dbraw/zinc/06/90/68/182069068.db2.gz ORANOWNTPITGQB-UHFFFAOYSA-N -1 0 307.272 1.581 50 0 DDAARM Cc1n[n-]c(SCC(=O)N[C@@H](C)c2ccccc2)nc1=O ZINC000018155936 182095075 /nfs/dbraw/zinc/09/50/75/182095075.db2.gz JQXWWNJHMFNCHH-VIFPVBQESA-N -1 0 304.375 1.443 50 0 DDAARM O=C(Cc1nnn[n-]1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000019641434 182134128 /nfs/dbraw/zinc/13/41/28/182134128.db2.gz APBYTDBGYCVPTL-UHFFFAOYSA-N -1 0 316.752 1.462 50 0 DDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC000238049331 304178236 /nfs/dbraw/zinc/17/82/36/304178236.db2.gz WRDIHNIDJUNKGL-LLVKDONJSA-N -1 0 301.298 1.872 50 0 DDAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(C2CCCC2)C1=O ZINC000019881895 182159590 /nfs/dbraw/zinc/15/95/90/182159590.db2.gz PZQOOZXMLINVDP-LLVKDONJSA-N -1 0 320.370 1.942 50 0 DDAARM O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000020523072 182226999 /nfs/dbraw/zinc/22/69/99/182226999.db2.gz NBRGDDVSPPXIBE-ZDUSSCGKSA-N -1 0 302.330 1.115 50 0 DDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(Cl)cc1F ZINC000023131830 182350030 /nfs/dbraw/zinc/35/00/30/182350030.db2.gz ZXINIAJYEVCKJF-UHFFFAOYSA-N -1 0 311.700 1.770 50 0 DDAARM O=C([O-])[C@H]1CCCN1Cc1nc(COc2ccc(F)cc2)no1 ZINC000238102315 304187753 /nfs/dbraw/zinc/18/77/53/304187753.db2.gz VNPNORICNMYWIE-GFCCVEGCSA-N -1 0 321.308 1.837 50 0 DDAARM COc1ccccc1C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268918571 207084777 /nfs/dbraw/zinc/08/47/77/207084777.db2.gz RCEGYLAFCNWVME-MELADBBJSA-N -1 0 303.358 1.949 50 0 DDAARM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc(F)cc1 ZINC000268932486 207098092 /nfs/dbraw/zinc/09/80/92/207098092.db2.gz APECBMFDCZDOQQ-BMGYJQCNSA-N -1 0 307.321 1.931 50 0 DDAARM CC[C@]1(c2ccc(Cl)c(C)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842181 184056513 /nfs/dbraw/zinc/05/65/13/184056513.db2.gz WCJABUOHLYNBCP-CQSZACIVSA-N -1 0 310.737 1.890 50 0 DDAARM CC(=O)c1cc2c(cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C)OCO2 ZINC000062001821 184201124 /nfs/dbraw/zinc/20/11/24/184201124.db2.gz WHRMSMCHROEEOW-OLZOCXBDSA-N -1 0 319.313 1.913 50 0 DDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000062119985 184207148 /nfs/dbraw/zinc/20/71/48/184207148.db2.gz OZBNUBATOPBTAC-ZETCQYMHSA-N -1 0 307.730 1.574 50 0 DDAARM CN(CC(=O)[O-])C(=O)c1ccccc1COC1CCOCC1 ZINC000269116470 207252298 /nfs/dbraw/zinc/25/22/98/207252298.db2.gz FRYUPVBBBSKWST-UHFFFAOYSA-N -1 0 307.346 1.539 50 0 DDAARM COc1cccc(CO[C@@H](C)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000269209498 207328195 /nfs/dbraw/zinc/32/81/95/207328195.db2.gz VEWNOODWDBTAOX-AAEUAGOBSA-N -1 0 307.346 1.533 50 0 DDAARM O=C([N-]S(=O)(=O)c1cccnc1)c1noc2c1CCCCC2 ZINC000158764715 197300411 /nfs/dbraw/zinc/30/04/11/197300411.db2.gz CCNNZQASSJMDAV-UHFFFAOYSA-N -1 0 321.358 1.457 50 0 DDAARM CCO[C@@H](C)c1nc(CC(=O)N2CCC[C@H]2C(=O)[O-])cs1 ZINC000237032038 286192685 /nfs/dbraw/zinc/19/26/85/286192685.db2.gz CDUFNSKFQIKJRZ-ONGXEEELSA-N -1 0 312.391 1.859 50 0 DDAARM O=C([O-])Cc1nn(CC(F)F)cc1I ZINC000223249607 407564370 /nfs/dbraw/zinc/56/43/70/407564370.db2.gz GNSBNQPATHTHFF-UHFFFAOYSA-N -1 0 316.045 1.380 50 0 DDAARM Cc1cccc(OCC(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000000241295 406635128 /nfs/dbraw/zinc/63/51/28/406635128.db2.gz SFZYHNAGMAZZMB-UHFFFAOYSA-N -1 0 305.355 1.879 50 0 DDAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000000489082 406650116 /nfs/dbraw/zinc/65/01/16/406650116.db2.gz MPRHVYQJIDBFNO-SECBINFHSA-N -1 0 319.313 1.324 50 0 biogenic DDAARM CCCCCCOC(=O)[C@H](CC)Sc1n[nH]c(=O)[n-]c1=O ZINC000001747410 406676717 /nfs/dbraw/zinc/67/67/17/406676717.db2.gz BEYBDSIHBGJQNB-VIFPVBQESA-N -1 0 315.395 1.452 50 0 DDAARM COc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])ccc1O ZINC000002583016 406690560 /nfs/dbraw/zinc/69/05/60/406690560.db2.gz DVQDNEXWFJBUAV-JTQLQIEISA-N -1 0 311.334 1.921 50 0 DDAARM CCn1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC)n1 ZINC000002809452 406702751 /nfs/dbraw/zinc/70/27/51/406702751.db2.gz MQKXMRRTUZYOPZ-UWVGGRQHSA-N -1 0 322.365 1.092 50 0 DDAARM CC(C)(C)OC(=O)N[C@H](Cc1cccc(C(N)=O)c1)C(=O)[O-] ZINC000004241951 406724307 /nfs/dbraw/zinc/72/43/07/406724307.db2.gz JCPCVUPCEXUFGD-LLVKDONJSA-N -1 0 308.334 1.306 50 0 DDAARM CC[C@H](C)[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)C(=O)[O-] ZINC000008481433 406788460 /nfs/dbraw/zinc/78/84/60/406788460.db2.gz MTODZIVDZDTPKB-IINYFYTJSA-N -1 0 317.345 1.012 50 0 DDAARM CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000008756650 406796267 /nfs/dbraw/zinc/79/62/67/406796267.db2.gz KCTRFBPFYBLQNL-NSHDSACASA-N -1 0 311.359 1.169 50 0 DDAARM CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000009550290 406811062 /nfs/dbraw/zinc/81/10/62/406811062.db2.gz WIHFIKJBMOSUAE-SKDRFNHKSA-N -1 0 315.366 1.916 50 0 DDAARM CS(=O)(=O)c1cc(F)ccc1N1CCC(C(=O)[O-])CC1 ZINC000016158941 406881863 /nfs/dbraw/zinc/88/18/63/406881863.db2.gz GCSIFISLGZHMMA-UHFFFAOYSA-N -1 0 301.339 1.530 50 0 DDAARM O=C(NC1CC1)C1CCN(c2nc3[n-]cnc(=O)c3s2)CC1 ZINC000035463040 406972915 /nfs/dbraw/zinc/97/29/15/406972915.db2.gz OATJLJUPMSMRFD-UHFFFAOYSA-N -1 0 319.390 1.287 50 0 DDAARM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000075157296 406924671 /nfs/dbraw/zinc/92/46/71/406924671.db2.gz ZLZPFNMPSOYDDD-NSHDSACASA-N -1 0 311.375 1.357 50 0 DDAARM COC(=O)C[C@H](NC(=O)/C=C\C(=O)[O-])c1cccc(C)c1C ZINC000030713635 406934475 /nfs/dbraw/zinc/93/44/75/406934475.db2.gz UPIZMTHUUZSLBR-WSROAFLRSA-N -1 0 305.330 1.665 50 0 DDAARM CC1CCN(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000037591499 406991986 /nfs/dbraw/zinc/99/19/86/406991986.db2.gz HHWVGSZTCVBGOW-UHFFFAOYSA-N -1 0 316.354 1.913 50 0 DDAARM COc1cc(C)c(S(=O)(=O)[N-]c2cnc(OC)nc2)cc1C ZINC000085557362 407103341 /nfs/dbraw/zinc/10/33/41/407103341.db2.gz UUWIQPHFHVBHBE-UHFFFAOYSA-N -1 0 323.374 1.911 50 0 DDAARM Cc1nc(S(=O)(=O)[N-]c2ccnn2Cc2ccsc2)c[nH]1 ZINC000089497042 407137592 /nfs/dbraw/zinc/13/75/92/407137592.db2.gz AGALHDSXJCYHQL-UHFFFAOYSA-N -1 0 323.403 1.825 50 0 DDAARM Cn1cc(N2CC[C@H](NC(=O)c3ccc([O-])c(Cl)c3)C2)cn1 ZINC000096410559 407261599 /nfs/dbraw/zinc/26/15/99/407261599.db2.gz PYTGHBBUUZFUHS-NSHDSACASA-N -1 0 320.780 1.788 50 0 DDAARM Cc1csc(NC(=O)Cc2nn3c([n-]2)nc(C)cc3=O)n1 ZINC000102721015 407325980 /nfs/dbraw/zinc/32/59/80/407325980.db2.gz HNGPYWDJKAHXIK-UHFFFAOYSA-N -1 0 304.335 1.084 50 0 DDAARM CSCCc1nc(-c2cnc3c(c2)CCC3)n(CC(=O)[O-])n1 ZINC000097402446 407292615 /nfs/dbraw/zinc/29/26/15/407292615.db2.gz ILCYHBXXRMBLIY-UHFFFAOYSA-N -1 0 318.402 1.819 50 0 DDAARM COc1cc(OC)c(CN2CCc3n[nH]cc3C2)c(C(=O)[O-])c1 ZINC000097547471 407299197 /nfs/dbraw/zinc/29/91/97/407299197.db2.gz VGXJHPRVVQLPIX-UHFFFAOYSA-N -1 0 317.345 1.683 50 0 DDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1O ZINC000100247764 407307671 /nfs/dbraw/zinc/30/76/71/407307671.db2.gz KNWRWNACPFMHBP-JTQLQIEISA-N -1 0 302.290 1.284 50 0 DDAARM CCCn1c(=O)c(C(=O)NCCCO)c([O-])c2ccccc21 ZINC000101558344 407311150 /nfs/dbraw/zinc/31/11/50/407311150.db2.gz ZNPBRYOIVMAODP-UHFFFAOYSA-N -1 0 304.346 1.229 50 0 DDAARM CCc1c[nH]c(S(=O)(=O)CC(=O)Nc2cccc(OC)c2)n1 ZINC000125620911 407393557 /nfs/dbraw/zinc/39/35/57/407393557.db2.gz WNOLOWPBLKRISG-UHFFFAOYSA-N -1 0 323.374 1.393 50 0 DDAARM C[C@H](CN(C(=O)Cn1ncc2ccccc21)C1CC1)C(=O)[O-] ZINC000195551934 407467480 /nfs/dbraw/zinc/46/74/80/407467480.db2.gz OQCOILCKCUVVEG-LLVKDONJSA-N -1 0 301.346 1.748 50 0 DDAARM O=c1[nH]c(-c2cnccn2)nc2c1CC[NH+](Cc1ccoc1)CC2 ZINC000257174190 407479990 /nfs/dbraw/zinc/47/99/90/407479990.db2.gz DCYKUZGKVWAEMR-UHFFFAOYSA-N -1 0 323.356 1.833 50 0 DDAARM C[C@H]1Cc2cc(S(=O)(=O)N(C)CC(=O)[O-])cc(Cl)c2O1 ZINC000261697528 407584504 /nfs/dbraw/zinc/58/45/04/407584504.db2.gz CKZIQEIRWOVSNH-ZETCQYMHSA-N -1 0 319.766 1.369 50 0 DDAARM CC(=O)NCc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000236663779 407743221 /nfs/dbraw/zinc/74/32/21/407743221.db2.gz OJBSQPDPSXRBBE-AWEZNQCLSA-N -1 0 304.346 1.402 50 0 DDAARM CCO[C@H](C)c1nc(CC(=O)N2CCC[C@@H]2C(=O)[O-])cs1 ZINC000236918507 407784341 /nfs/dbraw/zinc/78/43/41/407784341.db2.gz CDUFNSKFQIKJRZ-MWLCHTKSSA-N -1 0 312.391 1.859 50 0 DDAARM O=C([O-])[C@H]1CCCN1C(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000238065434 407882456 /nfs/dbraw/zinc/88/24/56/407882456.db2.gz JHXAMTOIENQZRE-CQSZACIVSA-N -1 0 316.357 1.580 50 0 DDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)C1 ZINC000238088085 407887372 /nfs/dbraw/zinc/88/73/72/407887372.db2.gz YRPSFTWQZVOKKO-NSHDSACASA-N -1 0 317.370 1.681 50 0 DDAARM O=C([O-])c1ccc(CNC(=O)c2ncoc2[C@H]2CCCO2)o1 ZINC000238129723 407893404 /nfs/dbraw/zinc/89/34/04/407893404.db2.gz WMTUIJFKPMYBAW-SECBINFHSA-N -1 0 306.274 1.747 50 0 DDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccccc3)no2)CCO1 ZINC000238128769 407893558 /nfs/dbraw/zinc/89/35/58/407893558.db2.gz ZWJAFSHRIGWPMH-CYBMUJFWSA-N -1 0 302.286 1.267 50 0 DDAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000118987928 407970589 /nfs/dbraw/zinc/97/05/89/407970589.db2.gz ODQOQCRBTLERRO-MRVPVSSYSA-N -1 0 319.292 1.918 50 0 DDAARM C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000154119553 407975574 /nfs/dbraw/zinc/97/55/74/407975574.db2.gz UTJHFWWWOKXLDB-PSASIEDQSA-N -1 0 308.359 1.338 50 0 DDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000263216307 408062533 /nfs/dbraw/zinc/06/25/33/408062533.db2.gz OEVKPSYXKGPLNS-VXGBXAGGSA-N -1 0 314.345 1.593 50 0 DDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 ZINC000136506482 408110306 /nfs/dbraw/zinc/11/03/06/408110306.db2.gz SWYBOOOZDGGSNK-ZDUSSCGKSA-N -1 0 318.308 1.486 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000263541223 408167453 /nfs/dbraw/zinc/16/74/53/408167453.db2.gz CWMLIAKWGZIBLB-LDYMZIIASA-N -1 0 310.737 1.060 50 0 DDAARM CCc1c(C(=O)NCC(=O)[O-])cnn1-c1ccccc1OC ZINC000263581119 408183859 /nfs/dbraw/zinc/18/38/59/408183859.db2.gz WTGKMDFAYKWDQR-UHFFFAOYSA-N -1 0 303.318 1.258 50 0 DDAARM O=C([O-])C1(NC(=O)CN2CCOc3ccc(Cl)cc32)CC1 ZINC000237929104 163393023 /nfs/dbraw/zinc/39/30/23/163393023.db2.gz VBISRYXLMLFBFW-UHFFFAOYSA-N -1 0 310.737 1.272 50 0 DDAARM C[C@@H](NS(C)(=O)=O)c1nc(-c2ccc3c(n2)CCCC3)no1 ZINC000329727870 410425171 /nfs/dbraw/zinc/42/51/71/410425171.db2.gz OXWNYDGITAFBPI-SECBINFHSA-N -1 0 322.390 1.621 50 0 DDAARM O=C([O-])c1ccc(-n2cc(NC(=O)C3CCOCC3)cn2)cc1 ZINC000299782390 410625095 /nfs/dbraw/zinc/62/50/95/410625095.db2.gz VPWQZNHMSYIFFF-UHFFFAOYSA-N -1 0 315.329 1.936 50 0 DDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647745088 423027899 /nfs/dbraw/zinc/02/78/99/423027899.db2.gz QFSGYDLCTAOEDV-MRVPVSSYSA-N -1 0 305.338 1.060 50 0 DDAARM CC(C)(CC(=O)Nc1ncn(CC(=O)[O-])n1)c1ccccc1 ZINC000647782586 423046759 /nfs/dbraw/zinc/04/67/59/423046759.db2.gz SXPVRYCAAXOHPP-UHFFFAOYSA-N -1 0 302.334 1.669 50 0 DDAARM Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])C2)n1 ZINC000046087488 418444755 /nfs/dbraw/zinc/44/47/55/418444755.db2.gz JSKLBSBDTASBPH-AGIUHOORSA-N -1 0 319.361 1.751 50 0 DDAARM CC(C)c1nc(CCN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)no1 ZINC000426485682 419485836 /nfs/dbraw/zinc/48/58/36/419485836.db2.gz JFUXEWLBIBCFTC-WDEREUQCSA-N -1 0 309.366 1.695 50 0 DDAARM O=C(Cc1n[nH]c(=O)[n-]1)NCc1nc(-c2ccccc2)cs1 ZINC000426651429 419522762 /nfs/dbraw/zinc/52/27/62/419522762.db2.gz WEHLVKZVIVDGOE-UHFFFAOYSA-N -1 0 315.358 1.493 50 0 DDAARM COc1cc(C(=O)NC2(C(=O)[O-])CCC2)c2ccccc2n1 ZINC000426545185 419501705 /nfs/dbraw/zinc/50/17/05/419501705.db2.gz SMPVRBUTETTXCD-UHFFFAOYSA-N -1 0 300.314 1.981 50 0 DDAARM COCCOc1cccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000299745635 229387636 /nfs/dbraw/zinc/38/76/36/229387636.db2.gz RNEQNVCRDGQKMT-MRXNPFEDSA-N -1 0 307.346 1.649 50 0 DDAARM COc1cc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1 ZINC000492183198 421210507 /nfs/dbraw/zinc/21/05/07/421210507.db2.gz QNNNTMADKHQFBB-VQTKUKTRSA-N -1 0 321.329 1.029 50 0 DDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CSc3ccccc3O2)C1 ZINC000583652298 422212594 /nfs/dbraw/zinc/21/25/94/422212594.db2.gz DBHZSLBGTOTWGP-PWSUYJOCSA-N -1 0 307.371 1.863 50 0 DDAARM O=C([O-])CN(C1CCC1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000653496361 423502624 /nfs/dbraw/zinc/50/26/24/423502624.db2.gz OQKWBVVOXGCVSI-UHFFFAOYSA-N -1 0 309.387 1.803 50 0 DDAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C1 ZINC000062913843 300784155 /nfs/dbraw/zinc/78/41/55/300784155.db2.gz ZLTSULZRLJGKQD-DOMZBBRYSA-N -1 0 309.749 1.967 50 0 DDAARM Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])C2=O)cc1C ZINC000237446181 301629084 /nfs/dbraw/zinc/62/90/84/301629084.db2.gz MWKZKMZSGXOQCG-OCCSQVGLSA-N -1 0 318.373 1.493 50 0 DDAARM Cc1ccc2ncc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c(=O)n2c1 ZINC000262511925 301928808 /nfs/dbraw/zinc/92/88/08/301928808.db2.gz BOUKMRVSGSPYTM-GFCCVEGCSA-N -1 0 315.329 1.082 50 0 DDAARM O=C([O-])c1cc2c(cc1NS(=O)(=O)N1CCC1)CCCC2 ZINC000577199988 308370377 /nfs/dbraw/zinc/37/03/77/308370377.db2.gz CSLGTODCWGGUQM-UHFFFAOYSA-N -1 0 310.375 1.626 50 0 DDAARM C[C@@H](C(=O)[O-])C(=O)Nc1cc(C(N)=O)ccc1N1CCCC1 ZINC000578631889 308474406 /nfs/dbraw/zinc/47/44/06/308474406.db2.gz DORRMHFCVKFYIN-SECBINFHSA-N -1 0 305.334 1.045 50 0 DDAARM Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000096408028 484019529 /nfs/dbraw/zinc/01/95/29/484019529.db2.gz MSRRHFSZXFYDOV-UHFFFAOYSA-N -1 0 314.370 2.377 50 0 DDAARM O=C([O-])/C=C/C(=O)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000012403840 518201343 /nfs/dbraw/zinc/20/13/43/518201343.db2.gz DAFSCTZJTKKQFA-YBJDMEARSA-N -1 0 318.329 1.175 50 0 DDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000299753908 534526526 /nfs/dbraw/zinc/52/65/26/534526526.db2.gz ZTAXSWMPIGPXHX-ZDUSSCGKSA-N -1 0 306.293 1.162 50 0 DDAARM CC(=O)N1CSC[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000299740752 526680855 /nfs/dbraw/zinc/68/08/55/526680855.db2.gz BPVBZQHJHYIHKE-OLZOCXBDSA-N -1 0 322.386 1.240 50 0 DDAARM CCOc1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000314983154 528362628 /nfs/dbraw/zinc/36/26/28/528362628.db2.gz QVGFNRNMOUBFJI-GPAKFWEMSA-N -1 0 305.330 1.411 50 0 DDAARM Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000217936000 545651269 /nfs/dbraw/zinc/65/12/69/545651269.db2.gz CZHCPZCAMCZDFV-LLVKDONJSA-N -1 0 317.297 1.359 50 0 DDAARM C[N@@H+]1CCN(Cc2c(Cl)ccc([O-])c2Cl)C[C@@H]1C(=O)[O-] ZINC000067695491 696363190 /nfs/dbraw/zinc/36/31/90/696363190.db2.gz DTBWRGLVOAVVKQ-SNVBAGLBSA-N -1 0 319.188 1.900 50 0 DDAARM Cc1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccncn2)c(C)o1 ZINC000492672295 699203686 /nfs/dbraw/zinc/20/36/86/699203686.db2.gz OBBZHFUCONRRSM-ARJAWSKDSA-N -1 0 307.331 1.205 50 0 DDAARM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccsc1C(N)=O ZINC000888099528 709213106 /nfs/dbraw/zinc/21/31/06/709213106.db2.gz OVQKYVNGEFXJAH-SSDOTTSWSA-N -1 0 304.393 1.088 50 0 DDAARM