smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232923 994388170 /nfs/dbraw/zinc/38/81/70/994388170.db2.gz QAWGULMUHHHGGB-ZYHUDNBSSA-N -1 3 309.431 3.415 20 10 DGCDHM C[C@@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240706 994430696 /nfs/dbraw/zinc/43/06/96/994430696.db2.gz ROKYGDGTACLLSJ-KZULUSFZSA-N -1 3 321.417 3.072 20 10 DGCDHM C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240707 994430958 /nfs/dbraw/zinc/43/09/58/994430958.db2.gz ROKYGDGTACLLSJ-SGTLLEGYSA-N -1 3 321.417 3.072 20 10 DGCDHM COc1ccc(F)c(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599581583 998540655 /nfs/dbraw/zinc/54/06/55/998540655.db2.gz VGUKCOMJNHBSBX-SNVBAGLBSA-N -1 3 319.332 3.089 20 10 DGCDHM O=C(Nc1ccc(O[C@H]2CC2(F)F)cc1)c1cccc(O)c1[O-] ZINC001167415851 1082079468 /nfs/dbraw/zinc/07/94/68/1082079468.db2.gz CCRCZUNCFCPHDO-ZDUSSCGKSA-N -1 3 321.279 3.137 20 10 DGCDHM O=C1CCN(Cc2cc(F)c(F)cc2[O-])c2ccccc2N1 ZINC001182162306 1083636870 /nfs/dbraw/zinc/63/68/70/1083636870.db2.gz XTNHENPUGYAUKG-UHFFFAOYSA-N -1 3 304.296 3.019 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCCC[C@H](F)C1 ZINC001203635963 1084630913 /nfs/dbraw/zinc/63/09/13/1084630913.db2.gz LEDMSPYGZHSIGD-LBPRGKRZSA-N -1 3 302.187 3.479 20 10 DGCDHM COc1cccc(CN(C)Cc2cc(F)c(F)cc2[O-])c1OC ZINC001142527161 1087277987 /nfs/dbraw/zinc/27/79/87/1087277987.db2.gz MPSNURUAEBEWSE-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1CCC(CF)CC1 ZINC001235303346 1088305510 /nfs/dbraw/zinc/30/55/10/1088305510.db2.gz NCFDSZICDPZVEL-UHFFFAOYSA-N -1 3 320.177 3.475 20 10 DGCDHM Nc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168522846 1088533686 /nfs/dbraw/zinc/53/36/86/1088533686.db2.gz JUESLNIHVLQABE-UHFFFAOYSA-N -1 3 300.749 3.183 20 10 DGCDHM Cc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168524038 1088613407 /nfs/dbraw/zinc/61/34/07/1088613407.db2.gz VGGJESSZPNRYDA-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1OC1CC1 ZINC001156170566 1089416358 /nfs/dbraw/zinc/41/63/58/1089416358.db2.gz QBBATSOMEYUMOH-UHFFFAOYSA-N -1 3 301.317 3.003 20 10 DGCDHM CNc1ccc(C(=O)NCc2c([O-])cccc2F)c(Cl)c1 ZINC001156171200 1089416975 /nfs/dbraw/zinc/41/69/75/1089416975.db2.gz XWDQPXJABMKJAQ-UHFFFAOYSA-N -1 3 308.740 3.156 20 10 DGCDHM O=[N+]([O-])c1cc2c(nc1NCc1c([O-])cccc1F)CCCC2 ZINC001164185393 1090366256 /nfs/dbraw/zinc/36/62/56/1090366256.db2.gz FUISTFSUCCUOKW-UHFFFAOYSA-N -1 3 317.320 3.325 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@](O)(CF)CC1 ZINC001203574201 1090759795 /nfs/dbraw/zinc/75/97/95/1090759795.db2.gz PLXSSBSMDLNDHX-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001203574224 1090759856 /nfs/dbraw/zinc/75/98/56/1090759856.db2.gz QHMWEPMDDUFVDC-LKFCYVNXSA-N -1 3 304.217 3.292 20 10 DGCDHM COC(=O)C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203586176 1090762316 /nfs/dbraw/zinc/76/23/16/1090762316.db2.gz MXPFKKNUMWFWIY-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCC(F)(F)[C@H](F)C1 ZINC001203635770 1090770087 /nfs/dbraw/zinc/77/00/87/1090770087.db2.gz FTKUEVTWFDAVPW-LLVKDONJSA-N -1 3 324.140 3.334 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCc2ccncc2C1 ZINC001203645466 1090772603 /nfs/dbraw/zinc/77/26/03/1090772603.db2.gz KJELILHKJIRMDS-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM COc1cc2c(cn1)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203665641 1090775773 /nfs/dbraw/zinc/77/57/73/1090775773.db2.gz QUYBNSVGKYNAGG-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM COc1ccc(CN(C)Cc2c([O-])cccc2F)c(OC)c1 ZINC001137838488 1091214963 /nfs/dbraw/zinc/21/49/63/1091214963.db2.gz BOGPPGHSJMEDNS-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC001139689166 1091642838 /nfs/dbraw/zinc/64/28/38/1091642838.db2.gz DLOYMAKGMFBBOM-ZDUSSCGKSA-N -1 3 323.314 3.463 20 10 DGCDHM Cc1cccnc1O[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688932 1091643278 /nfs/dbraw/zinc/64/32/78/1091643278.db2.gz DBNSGYJVELVUNK-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM CC(=O)[C@@H]1CCCCN1Cc1c([O-])cccc1Br ZINC001140103953 1091769522 /nfs/dbraw/zinc/76/95/22/1091769522.db2.gz VNQNGDRDGZVHDI-ZDUSSCGKSA-N -1 3 312.207 3.098 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC(Oc2ccc(F)cc2)C1 ZINC001140341358 1091835850 /nfs/dbraw/zinc/83/58/50/1091835850.db2.gz JQWHTCMIFNGXCI-UHFFFAOYSA-N -1 3 307.752 3.448 20 10 DGCDHM COc1nccc2c(NC(=O)c3ccc(C)c(O)c3[O-])cccc12 ZINC001299106745 1092156204 /nfs/dbraw/zinc/15/62/04/1092156204.db2.gz SBVGWRYPXLKJMD-UHFFFAOYSA-N -1 3 324.336 3.215 20 10 DGCDHM Cc1cnccc1O[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531340 1092497313 /nfs/dbraw/zinc/49/73/13/1092497313.db2.gz VFQQKODKACFSAR-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001215143572 1093926104 /nfs/dbraw/zinc/92/61/04/1093926104.db2.gz CGTFZQIJMDOZNG-UHFFFAOYSA-N -1 3 308.215 3.232 20 10 DGCDHM Cc1cc(F)c(-c2noc(-c3cccc(O)c3[O-])n2)cc1F ZINC001215145875 1093927014 /nfs/dbraw/zinc/92/70/14/1093927014.db2.gz OGVKXKNHCDNGEP-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001215325425 1093960609 /nfs/dbraw/zinc/96/06/09/1093960609.db2.gz RVZDZWORAYUGBS-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cc1ccc(Cl)cc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327761 1093961385 /nfs/dbraw/zinc/96/13/85/1093961385.db2.gz RPTVZLYVXOQESJ-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc4ccoc43)no2)cc1O ZINC001215327788 1093961666 /nfs/dbraw/zinc/96/16/66/1093961666.db2.gz SYMSHEQYLRXHBB-UHFFFAOYSA-N -1 3 310.265 3.267 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc4ncccc4c3)no2)cc1O ZINC001215327679 1093961744 /nfs/dbraw/zinc/96/17/44/1093961744.db2.gz NUFCJYBRICLITL-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM Cn1ccc2ccc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)cc21 ZINC001215327425 1093961862 /nfs/dbraw/zinc/96/18/62/1093961862.db2.gz ALYIWLAORAKWFQ-UHFFFAOYSA-N -1 3 323.308 3.012 20 10 DGCDHM CC[C@@H]1CO[C@@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000403837165 1094187277 /nfs/dbraw/zinc/18/72/77/1094187277.db2.gz CAEWWYBDAOAVNB-CABCVRRESA-N -1 3 309.381 3.123 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@H](CC)CO1 ZINC000403837167 1094187537 /nfs/dbraw/zinc/18/75/37/1094187537.db2.gz CAEWWYBDAOAVNB-HUUCEWRRSA-N -1 3 309.381 3.123 20 10 DGCDHM CC[C@@H](C)[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001217096185 1094304714 /nfs/dbraw/zinc/30/47/14/1094304714.db2.gz OVZMKZAHGBJHLK-PELKAZGASA-N -1 3 322.302 3.308 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc(C(C)(C)C)cs1 ZINC000187077721 1094446792 /nfs/dbraw/zinc/44/67/92/1094446792.db2.gz TXFZVVPOIRIYFC-SECBINFHSA-N -1 3 320.414 3.343 20 10 DGCDHM C[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000316290105 1095167041 /nfs/dbraw/zinc/16/70/41/1095167041.db2.gz UGDPVLVPSUZSED-LLVKDONJSA-N -1 3 302.349 3.406 20 10 DGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])cc(Cl)c1OC ZINC001144112376 1095514156 /nfs/dbraw/zinc/51/41/56/1095514156.db2.gz MUAMRWFGUJUCTI-UHFFFAOYSA-N -1 3 323.732 3.021 20 10 DGCDHM CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001137831882 1095756396 /nfs/dbraw/zinc/75/63/96/1095756396.db2.gz QWKJHPPVUQTGJX-LLVKDONJSA-N -1 3 311.353 3.057 20 10 DGCDHM CCCCN(C)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340094072 1095858779 /nfs/dbraw/zinc/85/87/79/1095858779.db2.gz AMLVPRMZCZJYAX-UHFFFAOYSA-N -1 3 317.418 3.034 20 10 DGCDHM CC(C)(C)OC(=O)O[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC001138122519 1095896924 /nfs/dbraw/zinc/89/69/24/1095896924.db2.gz KFPDSJIUIQKUCA-LBPRGKRZSA-N -1 3 311.353 3.057 20 10 DGCDHM [O-]c1c(F)cccc1CN1CC[C@@H]1COCc1ccccc1 ZINC001138127777 1095900534 /nfs/dbraw/zinc/90/05/34/1095900534.db2.gz PIEWJHZLLJXKCH-MRXNPFEDSA-N -1 3 301.361 3.322 20 10 DGCDHM C[C@]1(c2ccc(F)cc2)CN(Cc2cccc(F)c2[O-])CCO1 ZINC001138128724 1095900776 /nfs/dbraw/zinc/90/07/76/1095900776.db2.gz WKKYMPQDJGKBMW-GOSISDBHSA-N -1 3 319.351 3.418 20 10 DGCDHM COCCC1(C)CN(Cc2ccc(Br)cc2[O-])C1 ZINC001118577839 1096040074 /nfs/dbraw/zinc/04/00/74/1096040074.db2.gz MCZXWGRCRWANHL-UHFFFAOYSA-N -1 3 314.223 3.013 20 10 DGCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1c[nH]c2ccccc21 ZINC001148224789 1096330272 /nfs/dbraw/zinc/33/02/72/1096330272.db2.gz VGPWSNYQUYCRNE-UHFFFAOYSA-N -1 3 324.380 3.287 20 10 DGCDHM O=c1occ2[nH]cc(NCc3cc4ccccc4cc3[O-])cc1-2 ZINC001171406734 1096676195 /nfs/dbraw/zinc/67/61/95/1096676195.db2.gz QAKZWSPVBQROSZ-UHFFFAOYSA-N -1 3 306.321 3.223 20 10 DGCDHM O=c1cnc(NCc2cc3ccccc3cc2[O-])cn1C1CCC1 ZINC001171406934 1096676432 /nfs/dbraw/zinc/67/64/32/1096676432.db2.gz HFVJXKMGMROKTD-UHFFFAOYSA-N -1 3 321.380 3.439 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@@H]1C1CCCCC1 ZINC001229184405 1097272915 /nfs/dbraw/zinc/27/29/15/1097272915.db2.gz FDNCLHRUOCISCY-DOMZBBRYSA-N -1 3 306.381 3.299 20 10 DGCDHM O=C1c2cccc(O[C@H]3C=CCC3)c2C(=O)c2cccc([O-])c21 ZINC001229192587 1097274700 /nfs/dbraw/zinc/27/47/00/1097274700.db2.gz PBGCLSFMDJDMHF-NSHDSACASA-N -1 3 306.317 3.265 20 10 DGCDHM O=C1c2cccc(O[C@@H]3C[C@H]4C[C@H]4C3)c2C(=O)c2cccc([O-])c21 ZINC001229191394 1097274879 /nfs/dbraw/zinc/27/48/79/1097274879.db2.gz ANQSWTZOSJVITG-ZSBIGDGJSA-N -1 3 320.344 3.345 20 10 DGCDHM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001231564740 1097780991 /nfs/dbraw/zinc/78/09/91/1097780991.db2.gz WMVSUIPNPJZNPD-UHFFFAOYSA-N -1 3 315.413 3.491 20 10 DGCDHM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001231564740 1097780994 /nfs/dbraw/zinc/78/09/94/1097780994.db2.gz WMVSUIPNPJZNPD-UHFFFAOYSA-N -1 3 315.413 3.491 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@H](c3ccncc3)C2)cc1Cl ZINC001231869952 1097870104 /nfs/dbraw/zinc/87/01/04/1097870104.db2.gz BVQNDPNBBKNLPA-KRWDZBQOSA-N -1 3 318.804 3.323 20 10 DGCDHM CCc1noc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231912694 1097889907 /nfs/dbraw/zinc/88/99/07/1097889907.db2.gz SJHLUTYKXBACRR-UHFFFAOYSA-N -1 3 321.808 3.371 20 10 DGCDHM O=C1CCN(Cc2cc(Cl)c([O-])cc2O)[C@H]2CCCC[C@H]12 ZINC001232258637 1097983219 /nfs/dbraw/zinc/98/32/19/1097983219.db2.gz BPGGKLRPQITAJF-AAEUAGOBSA-N -1 3 309.793 3.085 20 10 DGCDHM [O-]c1cc(O)c(CN2CC(Oc3ccc(F)cc3)C2)cc1Cl ZINC001232262722 1097984873 /nfs/dbraw/zinc/98/48/73/1097984873.db2.gz NPGPLZUDNSRCMH-UHFFFAOYSA-N -1 3 323.751 3.154 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ncc(C)cc3C2)cc1Cl ZINC001232270607 1097988181 /nfs/dbraw/zinc/98/81/81/1097988181.db2.gz HIHXWNFSHDWQNR-UHFFFAOYSA-N -1 3 318.804 3.316 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(O)c(C(C)C)c2)c([O-])c1O ZINC001175756430 1098162451 /nfs/dbraw/zinc/16/24/51/1098162451.db2.gz KAJIILKLVZQMQH-UHFFFAOYSA-N -1 3 301.342 3.488 20 10 DGCDHM [O-]c1c(CN2CC[C@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077833 1098221181 /nfs/dbraw/zinc/22/11/81/1098221181.db2.gz ZGPWWZNGGSSKTA-HNNXBMFYSA-N -1 3 319.351 3.462 20 10 DGCDHM CN1CCN(Cc2c([O-])ccc(F)c2F)C[C@H]1c1ccccc1 ZINC001233334593 1098291955 /nfs/dbraw/zinc/29/19/55/1098291955.db2.gz MWHFRBQNCRKETC-INIZCTEOSA-N -1 3 318.367 3.159 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2c([O-])ccc(F)c2F)cc1 ZINC001233336036 1098292082 /nfs/dbraw/zinc/29/20/82/1098292082.db2.gz WGMZKUKOSYTLRS-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM [O-]c1c(CN2CC(N3CCCCC3)C2)cccc1C(F)(F)F ZINC001233418362 1098324607 /nfs/dbraw/zinc/32/46/07/1098324607.db2.gz DBLGNJWKXGNOMY-UHFFFAOYSA-N -1 3 314.351 3.081 20 10 DGCDHM CCCN(CC(=O)OCC)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454894 1098339865 /nfs/dbraw/zinc/33/98/65/1098339865.db2.gz NVLVQPYJYALTAF-UHFFFAOYSA-N -1 3 319.323 3.186 20 10 DGCDHM C[C@@]1(CF)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235056974 1098779412 /nfs/dbraw/zinc/77/94/12/1098779412.db2.gz KTNGYRMZIODYRY-ZDUSSCGKSA-N -1 3 320.177 3.475 20 10 DGCDHM Cc1cccc(C)c1OCCC(=O)NCc1c([O-])cccc1F ZINC001178410101 1098825942 /nfs/dbraw/zinc/82/59/42/1098825942.db2.gz MLOKPLMIVFHGRU-UHFFFAOYSA-N -1 3 317.360 3.233 20 10 DGCDHM O=C(/C=C\Sc1ccccc1)NCc1c([O-])cccc1F ZINC001178413718 1098827969 /nfs/dbraw/zinc/82/79/69/1098827969.db2.gz XTKZWMRUBJYHPE-KTKRTIGZSA-N -1 3 303.358 3.454 20 10 DGCDHM Cc1cccc(CC(=O)NCc2c([O-])cccc2F)c1Cl ZINC001178412565 1098829206 /nfs/dbraw/zinc/82/92/06/1098829206.db2.gz AJDWTMDODHXYFX-UHFFFAOYSA-N -1 3 307.752 3.352 20 10 DGCDHM Cc1nc(-c2cccc(NCc3cc(F)c(F)cc3[O-])c2)n[nH]1 ZINC001180289039 1099374445 /nfs/dbraw/zinc/37/44/45/1099374445.db2.gz QLTBTXHLLCAAGS-UHFFFAOYSA-N -1 3 316.311 3.376 20 10 DGCDHM CC(C)(C)OCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180324501 1099384438 /nfs/dbraw/zinc/38/44/38/1099384438.db2.gz QZDOZXCQWFTZLD-UHFFFAOYSA-N -1 3 322.792 3.025 20 10 DGCDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236790864 1099788187 /nfs/dbraw/zinc/78/81/87/1099788187.db2.gz WACGLCDUFXRBOM-AOOOYVTPSA-N -1 3 300.185 3.395 20 10 DGCDHM COc1cc([O-])c(CN2CCn3cccc3[C@@H]2C)c(Cl)c1 ZINC001236802843 1099798028 /nfs/dbraw/zinc/79/80/28/1099798028.db2.gz KVDNUNJRLMDRFJ-NSHDSACASA-N -1 3 306.793 3.433 20 10 DGCDHM C[C@H]1CC[C@H](CO)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078315 1099958089 /nfs/dbraw/zinc/95/80/89/1099958089.db2.gz PKKASFPHFNZABD-UWVGGRQHSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CCC(c2ncccn2)CC1 ZINC001237127193 1099984744 /nfs/dbraw/zinc/98/47/44/1099984744.db2.gz VUZSISAYIMOKCQ-UHFFFAOYSA-N -1 3 321.783 3.354 20 10 DGCDHM CCCCN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237812457 1100254907 /nfs/dbraw/zinc/25/49/07/1100254907.db2.gz GUASDUIVARRVPL-UHFFFAOYSA-N -1 3 300.805 3.102 20 10 DGCDHM CC(=O)c1ccsc1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193218772 1100717812 /nfs/dbraw/zinc/71/78/12/1100717812.db2.gz DGOHGPPSJAABDC-UHFFFAOYSA-N -1 3 311.746 3.268 20 10 DGCDHM CC(C)COC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001193856055 1100828595 /nfs/dbraw/zinc/82/85/95/1100828595.db2.gz YDMOSXCXGFRVGI-UHFFFAOYSA-N -1 3 308.765 3.476 20 10 DGCDHM COc1cc(F)cc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001202011479 1102780117 /nfs/dbraw/zinc/78/01/17/1102780117.db2.gz YVRATOASUYCHCM-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](C(F)(F)F)CC1 ZINC000687288150 1103091128 /nfs/dbraw/zinc/09/11/28/1103091128.db2.gz QXQVRLZVQALMRJ-LBPRGKRZSA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@](C)(C(F)F)C2)cc1Cl ZINC001330434201 1104552292 /nfs/dbraw/zinc/55/22/92/1104552292.db2.gz HQHSZXYXKGBBRI-CQSZACIVSA-N -1 3 305.752 3.210 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@]3(CCSC3)C2)cc1Cl ZINC001330818326 1104654092 /nfs/dbraw/zinc/65/40/92/1104654092.db2.gz OHUCOUNLKZGUKY-OAHLLOKOSA-N -1 3 313.850 3.062 20 10 DGCDHM Cc1cc(CN2CCCC(=O)CC2)c([O-])cc1Br ZINC001250123825 1105447088 /nfs/dbraw/zinc/44/70/88/1105447088.db2.gz VIBXJAMJFRLHHC-UHFFFAOYSA-N -1 3 312.207 3.018 20 10 DGCDHM C[C@H]1CCc2nc(CNCc3c([O-])cccc3F)sc2C1 ZINC001262375370 1107704627 /nfs/dbraw/zinc/70/46/27/1107704627.db2.gz HLHHBMUNPPIFER-JTQLQIEISA-N -1 3 306.406 3.402 20 10 DGCDHM C[C@@H](SCc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001303878594 1111156642 /nfs/dbraw/zinc/15/66/42/1111156642.db2.gz OEMZLGPOSQXGTM-GFCCVEGCSA-N -1 3 319.401 3.469 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])cc1F ZINC001308601753 1111450103 /nfs/dbraw/zinc/45/01/03/1111450103.db2.gz OJHVICQWJXHXAP-UHFFFAOYSA-N -1 3 311.303 3.450 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC001308791764 1111475604 /nfs/dbraw/zinc/47/56/04/1111475604.db2.gz HDONVROJVITEHY-JKSUJKDBSA-N -1 3 309.356 3.204 20 10 DGCDHM [O-]c1cc(F)c(CC[NH2+]Cc2cccc(Cl)c2[O-])c(F)c1 ZINC001308950660 1111498640 /nfs/dbraw/zinc/49/86/40/1111498640.db2.gz SECBUQVNNIOPQE-UHFFFAOYSA-N -1 3 313.731 3.362 20 10 DGCDHM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000179410771 432057271 /nfs/dbraw/zinc/05/72/71/432057271.db2.gz FJBGAPCDSTYJDD-GFCCVEGCSA-N -1 3 315.369 3.248 20 10 DGCDHM CCCC(=O)NC[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179931883 432074876 /nfs/dbraw/zinc/07/48/76/432074876.db2.gz JQCAVNFELYHIHZ-CYBMUJFWSA-N -1 3 324.852 3.174 20 10 DGCDHM CCN(CC)c1ncc(CN(C)Cc2ccccc2[O-])s1 ZINC000091956441 193131963 /nfs/dbraw/zinc/13/19/63/193131963.db2.gz JEMDMFPICDGDKR-UHFFFAOYSA-N -1 3 305.447 3.327 20 10 DGCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1ccc([O-])c(C)c1 ZINC000473268442 244329398 /nfs/dbraw/zinc/32/93/98/244329398.db2.gz HWHFEAKSNBIBKQ-UHFFFAOYSA-N -1 3 308.381 3.431 20 10 DGCDHM COCc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273299365 130104914 /nfs/dbraw/zinc/10/49/14/130104914.db2.gz AYJQQIGAMLNOAE-GFCCVEGCSA-N -1 3 316.357 3.298 20 10 DGCDHM C[C@H](N[C@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469108 130124987 /nfs/dbraw/zinc/12/49/87/130124987.db2.gz FGJVEUUEOGMTHC-BONVTDFDSA-N -1 3 314.341 3.344 20 10 DGCDHM Cc1cc(CNCc2cc(Cl)cc(Cl)c2[O-])n(C)n1 ZINC000283880997 131031146 /nfs/dbraw/zinc/03/11/46/131031146.db2.gz JBAHBSNELLJSAK-UHFFFAOYSA-N -1 3 300.189 3.031 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](C)c3cccc(O)c32)c([O-])c1O ZINC000186343177 292061890 /nfs/dbraw/zinc/06/18/90/292061890.db2.gz ICCIIZWMFPTNHD-SNVBAGLBSA-N -1 3 313.353 3.266 20 10 DGCDHM CCCN(Cc1nnc(OCC)s1)Cc1ccccc1[O-] ZINC000068973535 400302271 /nfs/dbraw/zinc/30/22/71/400302271.db2.gz CFNDSANRUOBGID-UHFFFAOYSA-N -1 3 307.419 3.055 20 10 DGCDHM CC[C@H](NCc1cocn1)c1cc(Br)ccc1[O-] ZINC000397997559 685234091 /nfs/dbraw/zinc/23/40/91/685234091.db2.gz QZEUOUOTHJDEIH-LBPRGKRZSA-N -1 3 311.179 3.384 20 10 DGCDHM CC[C@H](NCc1nnc2n1CCCC2)c1cccc(Cl)c1[O-] ZINC000287599353 288051427 /nfs/dbraw/zinc/05/14/27/288051427.db2.gz INJZDIOLWBNJPK-ZDUSSCGKSA-N -1 3 320.824 3.214 20 10 DGCDHM Cn1ccnc1[C@H]1N(Cc2c([O-])cccc2Cl)CC1(C)C ZINC000294700759 279379548 /nfs/dbraw/zinc/37/95/48/279379548.db2.gz CZQGWBPRVHVOLN-CQSZACIVSA-N -1 3 305.809 3.362 20 10 DGCDHM Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c(C)c1 ZINC000109772980 431177468 /nfs/dbraw/zinc/17/74/68/431177468.db2.gz QABBIGRPQUTFIX-HNNXBMFYSA-N -1 3 312.413 3.468 20 10 DGCDHM CN(CC(=O)N[C@H](c1ccccc1)C1CC1)Cc1ccccc1[O-] ZINC000111235291 431201830 /nfs/dbraw/zinc/20/18/30/431201830.db2.gz VNJBQOYCMVUHFC-HXUWFJFHSA-N -1 3 324.424 3.092 20 10 DGCDHM CC(C)NC(=O)CN(C)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271054992 432323790 /nfs/dbraw/zinc/32/37/90/432323790.db2.gz YQZDBSACGICOGG-UHFFFAOYSA-N -1 3 312.413 3.016 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)C[C@@H](C)c2nccs2)c1[O-] ZINC000184001439 432344685 /nfs/dbraw/zinc/34/46/85/432344685.db2.gz QHHAIGHLRCBVDC-SNVBAGLBSA-N -1 3 322.405 3.426 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)c([O-])c1O ZINC000184783226 432431997 /nfs/dbraw/zinc/43/19/97/432431997.db2.gz FPRJCETZCQSQOH-XHDPSFHLSA-N -1 3 312.369 3.025 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccncc2)c1[O-] ZINC000153841565 432448387 /nfs/dbraw/zinc/44/83/87/432448387.db2.gz JVURZQRSENETBP-KRWDZBQOSA-N -1 3 314.360 3.466 20 10 DGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2ncc(C)s2)c1[O-] ZINC000185011392 432455920 /nfs/dbraw/zinc/45/59/20/432455920.db2.gz KNHCSWWHYWUXIS-SECBINFHSA-N -1 3 308.378 3.350 20 10 DGCDHM CCN(Cc1ccccn1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184692986 432423198 /nfs/dbraw/zinc/42/31/98/432423198.db2.gz ANABVHOZVALNOW-UHFFFAOYSA-N -1 3 306.793 3.471 20 10 DGCDHM C[C@H](NCc1nccs1)c1ccc(Br)cc1[O-] ZINC000185087924 432464603 /nfs/dbraw/zinc/46/46/03/432464603.db2.gz BJZACLATCQAQCO-QMMMGPOBSA-N -1 3 313.220 3.462 20 10 DGCDHM C[C@@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185113420 432467942 /nfs/dbraw/zinc/46/79/42/432467942.db2.gz GNFJHRQRSHPDTJ-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM C[C@H](O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273379229 432591986 /nfs/dbraw/zinc/59/19/86/432591986.db2.gz HUJWQENDLBJLKT-RYUDHWBXSA-N -1 3 316.357 3.205 20 10 DGCDHM Cc1coc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1 ZINC000187186127 432650877 /nfs/dbraw/zinc/65/08/77/432650877.db2.gz PMESOMXBDCJOQH-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000185697312 292664107 /nfs/dbraw/zinc/66/41/07/292664107.db2.gz NEWDXYJUZQZZTK-ZIAGYGMSSA-N -1 3 311.381 3.424 20 10 DGCDHM C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901126 432827062 /nfs/dbraw/zinc/82/70/62/432827062.db2.gz JBMBRIBERQDIAX-XPTSAGLGSA-N -1 3 311.303 3.194 20 10 DGCDHM CN(C)c1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276978922 432827627 /nfs/dbraw/zinc/82/76/27/432827627.db2.gz HZSLHGYWKZOYQG-HNNXBMFYSA-N -1 3 304.415 3.120 20 10 DGCDHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245756 432831432 /nfs/dbraw/zinc/83/14/32/432831432.db2.gz JNYMAIGDQKYOEM-KBXCAEBGSA-N -1 3 312.413 3.304 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278183782 432889782 /nfs/dbraw/zinc/88/97/82/432889782.db2.gz HBDKYQOIRDRUIY-UHFFFAOYSA-N -1 3 316.357 3.249 20 10 DGCDHM Cc1ccc([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c([O-])c1 ZINC000296602415 432923745 /nfs/dbraw/zinc/92/37/45/432923745.db2.gz VSTDMPHZEQURNO-SNVBAGLBSA-N -1 3 311.307 3.360 20 10 DGCDHM CC(=O)Nc1ccc(CN[C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000279014670 432925728 /nfs/dbraw/zinc/92/57/28/432925728.db2.gz HEIMOIDGRLVAEN-SNVBAGLBSA-N -1 3 319.792 3.250 20 10 DGCDHM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000278916134 432916958 /nfs/dbraw/zinc/91/69/58/432916958.db2.gz JYXHWADYQHVJAZ-UKRRQHHQSA-N -1 3 311.381 3.424 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000289721570 432973336 /nfs/dbraw/zinc/97/33/36/432973336.db2.gz JRAFFRCNDZSJDC-NVXWUHKLSA-N -1 3 321.392 3.123 20 10 DGCDHM COc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)ccc1O ZINC000280573924 433092395 /nfs/dbraw/zinc/09/23/95/433092395.db2.gz LYSXOXMAXLEUDV-UHFFFAOYSA-N -1 3 321.398 3.325 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](n2cccn2)C1 ZINC000291203732 433229766 /nfs/dbraw/zinc/22/97/66/433229766.db2.gz HVHIOEBIUVTPQX-LBPRGKRZSA-N -1 3 312.200 3.343 20 10 DGCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])CCCO1 ZINC000281360838 433289976 /nfs/dbraw/zinc/28/99/76/433289976.db2.gz UWKFZYQBIQNYHC-ZDUSSCGKSA-N -1 3 314.223 3.156 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCCO1 ZINC000281360833 433290825 /nfs/dbraw/zinc/29/08/25/433290825.db2.gz UWKFZYQBIQNYHC-CYBMUJFWSA-N -1 3 314.223 3.156 20 10 DGCDHM C[C@@H](NCc1cnc2n1CCCC2)c1cc(Cl)ccc1[O-] ZINC000375273256 433409195 /nfs/dbraw/zinc/40/91/95/433409195.db2.gz YUNKWZLMLPCCGJ-LLVKDONJSA-N -1 3 305.809 3.429 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403387 334096117 /nfs/dbraw/zinc/09/61/17/334096117.db2.gz OPBBWOZGMKOOCK-GXFFZTMASA-N -1 3 323.742 3.181 20 10 DGCDHM CCCN(Cc1ccccc1[O-])Cc1nccc(OC)c1OC ZINC000190611996 521690693 /nfs/dbraw/zinc/69/06/93/521690693.db2.gz ZZLPKNWNCQVQFU-UHFFFAOYSA-N -1 3 316.401 3.217 20 10 DGCDHM Cc1c(CNCc2cc(Cl)cc(Cl)c2[O-])cnn1C ZINC000156574158 525725857 /nfs/dbraw/zinc/72/58/57/525725857.db2.gz DDBXYQFNLXMKCN-UHFFFAOYSA-N -1 3 300.189 3.031 20 10 DGCDHM Cn1cc(CNCc2c([O-])cccc2Cl)c(C(F)(F)F)n1 ZINC000130714117 527218362 /nfs/dbraw/zinc/21/83/62/527218362.db2.gz VQJIXYABNAUHEF-UHFFFAOYSA-N -1 3 319.714 3.088 20 10 DGCDHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc([O-])cs1 ZINC000731863744 574560202 /nfs/dbraw/zinc/56/02/02/574560202.db2.gz CKCRSARUWYZDMY-UHFFFAOYSA-N -1 3 315.316 3.445 20 10 DGCDHM O=C(NCCOc1cccc2ccccc21)c1cc([O-])cs1 ZINC000731871087 574560719 /nfs/dbraw/zinc/56/07/19/574560719.db2.gz WEYSHOHEFFFZBV-UHFFFAOYSA-N -1 3 313.378 3.416 20 10 DGCDHM CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000731910961 574561963 /nfs/dbraw/zinc/56/19/63/574561963.db2.gz XPOUBOYAWJDTNW-JTQLQIEISA-N -1 3 319.382 3.200 20 10 DGCDHM O=C(NCc1cc(-c2ccccc2)no1)c1cc([O-])cs1 ZINC000732270709 574569505 /nfs/dbraw/zinc/56/95/05/574569505.db2.gz FVDNOGUQFBIFHM-UHFFFAOYSA-N -1 3 300.339 3.039 20 10 DGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)COCc1ccccc1 ZINC000732276298 574570189 /nfs/dbraw/zinc/57/01/89/574570189.db2.gz PYSDNKSPQFEPGV-LBPRGKRZSA-N -1 3 305.399 3.036 20 10 DGCDHM O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cc([O-])cs1 ZINC000732276994 574570219 /nfs/dbraw/zinc/57/02/19/574570219.db2.gz ZZDUGBKIDVHQCD-GFCCVEGCSA-N -1 3 307.346 3.237 20 10 DGCDHM O=C(N[C@H](c1nccs1)c1ccccc1)c1cc([O-])cs1 ZINC000732287173 574570942 /nfs/dbraw/zinc/57/09/42/574570942.db2.gz OCQXAEFECNRWIG-ZDUSSCGKSA-N -1 3 316.407 3.430 20 10 DGCDHM COc1ccccc1-c1cc(NC(=O)c2cc([O-])cs2)n[nH]1 ZINC000732279250 574570424 /nfs/dbraw/zinc/57/04/24/574570424.db2.gz MWOIAXUUXZOKIG-UHFFFAOYSA-N -1 3 315.354 3.105 20 10 DGCDHM CC(C)COc1ccc(CCNC(=O)c2cc([O-])cs2)cc1 ZINC000732289908 574570823 /nfs/dbraw/zinc/57/08/23/574570823.db2.gz ZIFCKTMASBAHLA-UHFFFAOYSA-N -1 3 319.426 3.461 20 10 DGCDHM O=C(OCc1ccc(OC(F)F)cc1)c1cc([O-])cs1 ZINC000732353520 574572099 /nfs/dbraw/zinc/57/20/99/574572099.db2.gz SEUYHCULXVKDNA-UHFFFAOYSA-N -1 3 300.282 3.412 20 10 DGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(F)cc1F ZINC000732353776 574572143 /nfs/dbraw/zinc/57/21/43/574572143.db2.gz VECMPQRXACWCRO-ZETCQYMHSA-N -1 3 312.293 3.160 20 10 DGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)NCCC1=CCCCC1 ZINC000732354109 574572377 /nfs/dbraw/zinc/57/23/77/574572377.db2.gz ZXNJBPYJPVFYCB-LLVKDONJSA-N -1 3 323.414 3.006 20 10 DGCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000736294685 574740611 /nfs/dbraw/zinc/74/06/11/574740611.db2.gz NWAIHJOWBNMLMQ-CQSZACIVSA-N -1 3 321.417 3.225 20 10 DGCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000736294685 574740613 /nfs/dbraw/zinc/74/06/13/574740613.db2.gz NWAIHJOWBNMLMQ-CQSZACIVSA-N -1 3 321.417 3.225 20 10 DGCDHM [O-]c1ccc2ccccc2c1CN1CCO[C@@H](C(F)(F)F)C1 ZINC000739876186 574914419 /nfs/dbraw/zinc/91/44/19/574914419.db2.gz YJOFDGFFFIQHAI-OAHLLOKOSA-N -1 3 311.303 3.309 20 10 DGCDHM CSc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000743259589 575040710 /nfs/dbraw/zinc/04/07/10/575040710.db2.gz FRDSOYFZNHIYKB-UHFFFAOYSA-N -1 3 309.412 3.223 20 10 DGCDHM CN(C(=O)c1cc([O-])cs1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000743415852 575049939 /nfs/dbraw/zinc/04/99/39/575049939.db2.gz BTYZSLRHNVPKAK-CQSZACIVSA-N -1 3 316.426 3.195 20 10 DGCDHM Cc1ccc([O-])c(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743718448 575062245 /nfs/dbraw/zinc/06/22/45/575062245.db2.gz PFSKSAXPDVIANG-UHFFFAOYSA-N -1 3 311.381 3.215 20 10 DGCDHM CCc1ccc([O-])c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000729277640 575231636 /nfs/dbraw/zinc/23/16/36/575231636.db2.gz GKLZEJFEAWOUQF-NSHDSACASA-N -1 3 315.369 3.160 20 10 DGCDHM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cc([O-])cs1 ZINC000747617558 575527481 /nfs/dbraw/zinc/52/74/81/575527481.db2.gz QNZAJCRBBRZOKV-UHFFFAOYSA-N -1 3 309.297 3.451 20 10 DGCDHM CCO[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C12CCCCC2 ZINC000748339393 575581353 /nfs/dbraw/zinc/58/13/53/575581353.db2.gz NKVDHRUSEKSYFL-KBPBESRZSA-N -1 3 309.431 3.311 20 10 DGCDHM CO[C@@H](C)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000750048981 575700088 /nfs/dbraw/zinc/70/00/88/575700088.db2.gz QIBBKYXSNNDUTF-NSHDSACASA-N -1 3 313.825 3.494 20 10 DGCDHM C[S@@](=O)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000751153655 575772303 /nfs/dbraw/zinc/77/23/03/575772303.db2.gz TXHMVJHEXPIZJI-HXUWFJFHSA-N -1 3 309.818 3.073 20 10 DGCDHM CCOc1ccc(CNCc2csc([C@H](C)OC)n2)c([O-])c1 ZINC000752265511 575830017 /nfs/dbraw/zinc/83/00/17/575830017.db2.gz JCOQEGRGGLEUHV-NSHDSACASA-N -1 3 322.430 3.245 20 10 DGCDHM Cc1ccc(SCCNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751532936 576206521 /nfs/dbraw/zinc/20/65/21/576206521.db2.gz HNECJNRALJCFMN-UHFFFAOYSA-N -1 3 317.410 3.237 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CC(C(F)(F)F)C1 ZINC000894891272 618489050 /nfs/dbraw/zinc/48/90/50/618489050.db2.gz XHNGRJDWBFJHOK-UHFFFAOYSA-N -1 3 310.113 3.149 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@H]1C1CC1 ZINC000894882828 618486903 /nfs/dbraw/zinc/48/69/03/618486903.db2.gz LSALFFCBTJVNGU-LBPRGKRZSA-N -1 3 300.171 3.278 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCc2nc[nH]c2C12CCC2 ZINC000895068182 618524912 /nfs/dbraw/zinc/52/49/12/618524912.db2.gz MLCZAXNHBRQQKJ-UHFFFAOYSA-N -1 3 303.793 3.206 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(O)(C2CCC2)CC1 ZINC000897037034 619004943 /nfs/dbraw/zinc/00/49/43/619004943.db2.gz RCRKAYJPMJMFMT-UHFFFAOYSA-N -1 3 313.800 3.312 20 10 DGCDHM Cc1sc(CC(=O)NCc2c([O-])cccc2F)nc1C(C)C ZINC000928709203 619059705 /nfs/dbraw/zinc/05/97/05/619059705.db2.gz YKJGMEPVCSJRJD-UHFFFAOYSA-N -1 3 322.405 3.279 20 10 DGCDHM COC(=O)c1cc(CNCc2cccc(Cl)c2[O-])c(C)o1 ZINC000898214335 619222163 /nfs/dbraw/zinc/22/21/63/619222163.db2.gz AHUKXONVVFIQFL-UHFFFAOYSA-N -1 3 309.749 3.023 20 10 DGCDHM [O-]c1c(Cl)cccc1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000898219157 619222723 /nfs/dbraw/zinc/22/27/23/619222723.db2.gz VTIFGLSDWWLWBR-UHFFFAOYSA-N -1 3 305.687 3.077 20 10 DGCDHM CC[C@H](N[C@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063018 619708645 /nfs/dbraw/zinc/70/86/45/619708645.db2.gz AXTIGQCOPZPVFJ-ZFWWWQNUSA-N -1 3 306.385 3.098 20 10 DGCDHM CC[C@@H](NCc1cn(C)nc1OC)c1cccc(Cl)c1[O-] ZINC000903338584 619760225 /nfs/dbraw/zinc/76/02/25/619760225.db2.gz RHJRASXEJXKXAX-CYBMUJFWSA-N -1 3 309.797 3.029 20 10 DGCDHM C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1ccc(F)cc1[O-] ZINC000903342114 619760554 /nfs/dbraw/zinc/76/05/54/619760554.db2.gz WTNPEYVWFZSXHU-QMMMGPOBSA-N -1 3 317.286 3.134 20 10 DGCDHM CNC(=O)c1ccc(C)c(NCc2c([O-])cccc2Cl)c1 ZINC000149173156 620100286 /nfs/dbraw/zinc/10/02/86/620100286.db2.gz BAPAVBXIXCUAKK-UHFFFAOYSA-N -1 3 304.777 3.326 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000151871124 620477509 /nfs/dbraw/zinc/47/75/09/620477509.db2.gz UAVZYMOEEWKLAT-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC000914245993 620515096 /nfs/dbraw/zinc/51/50/96/620515096.db2.gz RKZIVNDCDYSTPZ-JQWIXIFHSA-N -1 3 318.348 3.247 20 10 DGCDHM CCc1cnccc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000921789695 620950094 /nfs/dbraw/zinc/95/00/94/620950094.db2.gz XMDCNZWNRFXWRY-LLVKDONJSA-N -1 3 317.364 3.049 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCc2sccc21 ZINC000922014054 620980328 /nfs/dbraw/zinc/98/03/28/620980328.db2.gz FIMZFUZRRVGEIK-ZDUSSCGKSA-N -1 3 320.389 3.470 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CO ZINC000857062219 621052941 /nfs/dbraw/zinc/05/29/41/621052941.db2.gz ZCZGJLHJOUCBRJ-KOLCDFICSA-N -1 3 304.217 3.149 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1CO ZINC000857062221 621053082 /nfs/dbraw/zinc/05/30/82/621053082.db2.gz ZCZGJLHJOUCBRJ-MWLCHTKSSA-N -1 3 304.217 3.149 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCCC1(F)F ZINC000922658497 621075234 /nfs/dbraw/zinc/07/52/34/621075234.db2.gz PELLRWOODSAFLL-JTQLQIEISA-N -1 3 316.323 3.156 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)[C@H](C)[C@@H](C)O1 ZINC000862337549 621575713 /nfs/dbraw/zinc/57/57/13/621575713.db2.gz WYVPKAQWTFZCIK-GMTAPVOTSA-N -1 3 314.223 3.152 20 10 DGCDHM COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000862481667 621593451 /nfs/dbraw/zinc/59/34/51/621593451.db2.gz ZWBMFTZNIZMBQC-UHFFFAOYSA-N -1 3 318.329 3.238 20 10 DGCDHM C[C@H](NCc1csc(N(C)C)n1)c1cc(F)cc(F)c1[O-] ZINC000756635682 621654512 /nfs/dbraw/zinc/65/45/12/621654512.db2.gz GYZXBXKMCSMTEI-QMMMGPOBSA-N -1 3 313.373 3.044 20 10 DGCDHM C[C@@H](N[C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713026 621659493 /nfs/dbraw/zinc/65/94/93/621659493.db2.gz SNGYICKWAUVLAZ-PSLIRLAXSA-N -1 3 311.303 3.194 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC000756756286 621662168 /nfs/dbraw/zinc/66/21/68/621662168.db2.gz HCVZXUODFLPNDI-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM CC(C)c1nnc([C@@H](C)N[C@@H](C)c2cc(F)cc(F)c2[O-])[nH]1 ZINC000756777649 621663972 /nfs/dbraw/zinc/66/39/72/621663972.db2.gz KFFGFZZOLVJOFM-DTWKUNHWSA-N -1 3 310.348 3.324 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(F)cc2OC)c1 ZINC000756791916 621664980 /nfs/dbraw/zinc/66/49/80/621664980.db2.gz HBNMHTWCBUMABC-JTQLQIEISA-N -1 3 319.332 3.500 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(OC)c2)c1 ZINC000756796574 621665366 /nfs/dbraw/zinc/66/53/66/621665366.db2.gz RNULPPXQKDYILS-LLVKDONJSA-N -1 3 301.342 3.361 20 10 DGCDHM C[C@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(F)cc1[O-] ZINC000757619077 621729017 /nfs/dbraw/zinc/72/90/17/621729017.db2.gz KJXQLDIWIPQJRV-WCQYABFASA-N -1 3 314.360 3.308 20 10 DGCDHM C[C@@H](Nc1cccc([C@H]2CNC(=O)C2)c1)c1ccc(F)cc1[O-] ZINC000757619074 621729060 /nfs/dbraw/zinc/72/90/60/621729060.db2.gz KJXQLDIWIPQJRV-DGCLKSJQSA-N -1 3 314.360 3.308 20 10 DGCDHM CN(Cc1ccccn1)Cc1cccc(Br)c1[O-] ZINC000757889906 621745178 /nfs/dbraw/zinc/74/51/78/621745178.db2.gz MALQVPBSHRVIFI-UHFFFAOYSA-N -1 3 307.191 3.182 20 10 DGCDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c1Cl ZINC000758168747 621762829 /nfs/dbraw/zinc/76/28/29/621762829.db2.gz FKKJNRUEZKCPGG-UHFFFAOYSA-N -1 3 315.753 3.294 20 10 DGCDHM Cc1cc([O-])c(CNCc2nn(C)cc2C(F)F)c(Cl)c1 ZINC000865807616 621998894 /nfs/dbraw/zinc/99/88/94/621998894.db2.gz NWTKBKFELMPZKB-UHFFFAOYSA-N -1 3 315.751 3.315 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H](C)S1 ZINC000769140205 622501610 /nfs/dbraw/zinc/50/16/10/622501610.db2.gz DNVCAWIFGXNUTC-RKDXNWHRSA-N -1 3 316.810 3.280 20 10 DGCDHM CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000769498731 622534396 /nfs/dbraw/zinc/53/43/96/622534396.db2.gz PHMRGRIYPBNINL-CYBMUJFWSA-N -1 3 311.809 3.352 20 10 DGCDHM COc1c([O-])c(CN2CCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774822482 623196194 /nfs/dbraw/zinc/19/61/94/623196194.db2.gz YMGOIOPWBWPQIT-UHFFFAOYSA-N -1 3 314.341 3.262 20 10 DGCDHM COc1c([O-])c(CN2C[C@@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775054982 623222411 /nfs/dbraw/zinc/22/24/11/623222411.db2.gz DOTFNSLTOMMRRW-LLVKDONJSA-N -1 3 314.341 3.433 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCN(Cc2ccccc2)CC1 ZINC000775634070 623299356 /nfs/dbraw/zinc/29/93/56/623299356.db2.gz OPILNJHVCSGEME-UHFFFAOYSA-N -1 3 316.832 3.363 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(n2ccnc2)CC1 ZINC000775664816 623308462 /nfs/dbraw/zinc/30/84/62/623308462.db2.gz AJEWPRGCMKZCJQ-UHFFFAOYSA-N -1 3 309.772 3.218 20 10 DGCDHM O=C(N[C@H]1CCc2c1cccc2Cl)c1cccc(O)c1[O-] ZINC000776338123 623414506 /nfs/dbraw/zinc/41/45/06/623414506.db2.gz FHQFDQSWRQJCIO-ZDUSSCGKSA-N -1 3 303.745 3.169 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cnn(Cc2ccccn2)c1 ZINC000777464474 623529201 /nfs/dbraw/zinc/52/92/01/623529201.db2.gz OHHGPZULXNNIOD-UHFFFAOYSA-N -1 3 314.776 3.298 20 10 DGCDHM COc1ccc(CN(C)Cc2ccc(F)c(F)c2[O-])cc1O ZINC000876633166 623664874 /nfs/dbraw/zinc/66/48/74/623664874.db2.gz NNBGZARQTZBOEA-UHFFFAOYSA-N -1 3 309.312 3.017 20 10 DGCDHM COCC[C@H](NCc1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000877166978 623813612 /nfs/dbraw/zinc/81/36/12/623813612.db2.gz KABUPYRKUJJEFO-ZDUSSCGKSA-N -1 3 311.328 3.439 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(Cl)ccc2N(C)C)c([O-])c1O ZINC000780910856 623997095 /nfs/dbraw/zinc/99/70/95/623997095.db2.gz FWDNAPQGGOLSER-UHFFFAOYSA-N -1 3 320.776 3.378 20 10 DGCDHM CCOc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1C ZINC000780925500 623999407 /nfs/dbraw/zinc/99/94/07/623999407.db2.gz DNNQZEMOZINHCL-UHFFFAOYSA-N -1 3 301.342 3.366 20 10 DGCDHM CC[C@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1[O-] ZINC000790755326 625692384 /nfs/dbraw/zinc/69/23/84/625692384.db2.gz MVBJCIOZTYNOHA-ZANVPECISA-N -1 3 321.812 3.169 20 10 DGCDHM COc1cccc2c1OCC[C@H]2NCc1cc(F)cc(F)c1[O-] ZINC000882996873 625890987 /nfs/dbraw/zinc/89/09/87/625890987.db2.gz LWHMCRPDQXTNON-CQSZACIVSA-N -1 3 321.323 3.292 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1nc(C(F)(F)F)cs1 ZINC000883017029 625899172 /nfs/dbraw/zinc/89/91/72/625899172.db2.gz UXXPSRUVVJTBBR-UHFFFAOYSA-N -1 3 324.274 3.436 20 10 DGCDHM COc1ccc(O)c(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792237389 625929789 /nfs/dbraw/zinc/92/97/89/625929789.db2.gz CMQLQXJRDGQDTQ-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM CN(Cc1nc(-c2cccs2)no1)Cc1cc(F)ccc1[O-] ZINC000809688045 626936940 /nfs/dbraw/zinc/93/69/40/626936940.db2.gz ZINCOANAERCXEJ-UHFFFAOYSA-N -1 3 319.361 3.275 20 10 DGCDHM C[C@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551598 627161949 /nfs/dbraw/zinc/16/19/49/627161949.db2.gz KOQNRYRESHWTLC-WFASDCNBSA-N -1 3 320.408 3.116 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](CO)c1ccc(F)cc1 ZINC000816551298 627805845 /nfs/dbraw/zinc/80/58/45/627805845.db2.gz WLJPMDKXNZIASC-CQSZACIVSA-N -1 3 313.731 3.147 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](CO)c1ccsc1 ZINC000816571322 627810317 /nfs/dbraw/zinc/81/03/17/627810317.db2.gz ZPUHTFRSADZHIR-LBPRGKRZSA-N -1 3 301.770 3.069 20 10 DGCDHM C[C@H](NCc1cc(C(F)(F)F)nn1C)c1c([O-])cccc1F ZINC000926928392 627983589 /nfs/dbraw/zinc/98/35/89/627983589.db2.gz ZKXLYAQESHJFCK-QMMMGPOBSA-N -1 3 317.286 3.134 20 10 DGCDHM C[C@H](Nc1ccc(COCCO)cc1)c1ccc(F)cc1[O-] ZINC000818360909 628018745 /nfs/dbraw/zinc/01/87/45/628018745.db2.gz CZFGFBMCDWAUDC-LBPRGKRZSA-N -1 3 305.349 3.213 20 10 DGCDHM CCO[C@H](C)c1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC000928704567 628178591 /nfs/dbraw/zinc/17/85/91/628178591.db2.gz CFWJKZSWKPTBQS-SECBINFHSA-N -1 3 324.377 3.015 20 10 DGCDHM CCO[C@@H](C)c1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC000928704568 628178841 /nfs/dbraw/zinc/17/88/41/628178841.db2.gz CFWJKZSWKPTBQS-VIFPVBQESA-N -1 3 324.377 3.015 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@]12CCc1ccccc12 ZINC000928706748 628179314 /nfs/dbraw/zinc/17/93/14/628179314.db2.gz ZBZVPHFTSVSHQF-BEFAXECRSA-N -1 3 311.356 3.052 20 10 DGCDHM Cc1nc(C(C)C)ccc1C(=O)NCc1c([O-])cccc1F ZINC000928706277 628179684 /nfs/dbraw/zinc/17/96/84/628179684.db2.gz QGIWWIYZESWGCQ-UHFFFAOYSA-N -1 3 302.349 3.288 20 10 DGCDHM CC(C)(C)OC1CC(CC(=O)NCc2c([O-])cccc2F)C1 ZINC000928707772 628180103 /nfs/dbraw/zinc/18/01/03/628180103.db2.gz HWLGBLKSXPZULH-UHFFFAOYSA-N -1 3 309.381 3.131 20 10 DGCDHM C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2c([O-])cccc2F)o1 ZINC000928710229 628180310 /nfs/dbraw/zinc/18/03/10/628180310.db2.gz QOMWMRHXBQWRNL-WCQYABFASA-N -1 3 317.360 3.497 20 10 DGCDHM O=C([O-])C1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000821511049 628378454 /nfs/dbraw/zinc/37/84/54/628378454.db2.gz BLCYUZDYHQBJBJ-UHFFFAOYSA-N -1 3 311.381 3.356 20 10 DGCDHM C[C@@]1(F)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000824472364 628663537 /nfs/dbraw/zinc/66/35/37/628663537.db2.gz RBQULNCXFVQTMH-CYBMUJFWSA-N -1 3 302.187 3.479 20 10 DGCDHM COCCN(Cc1cc(Cl)c(C)cc1[O-])CC(F)(F)F ZINC000824639112 628679407 /nfs/dbraw/zinc/67/94/07/628679407.db2.gz HAYOJNDNCZGABH-UHFFFAOYSA-N -1 3 311.731 3.365 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])[C@@H](C)[C@@H](C)O1 ZINC000825634625 628779984 /nfs/dbraw/zinc/77/99/84/628779984.db2.gz PAXHMMUAVVHZFN-OUAUKWLOSA-N -1 3 314.223 3.152 20 10 DGCDHM C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1O ZINC000827970179 629009853 /nfs/dbraw/zinc/00/98/53/629009853.db2.gz YVHJPYGZMDZLGU-LBPRGKRZSA-N -1 3 317.360 3.437 20 10 DGCDHM COc1ccc(O)c([C@H](C)NCc2cc(C(=O)[O-])ccc2F)c1 ZINC000833733513 629644538 /nfs/dbraw/zinc/64/45/38/629644538.db2.gz JJGDMFCEFLWXGO-JTQLQIEISA-N -1 3 319.332 3.089 20 10 DGCDHM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(Cl)ccc1[O-])N2 ZINC000102418314 630104416 /nfs/dbraw/zinc/10/44/16/630104416.db2.gz AIACIUAWQDZXCH-HNNXBMFYSA-N -1 3 318.760 3.251 20 10 DGCDHM CCCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1CCCC[C@H]1OC ZINC000836862677 630175655 /nfs/dbraw/zinc/17/56/55/630175655.db2.gz TYPFWRTVMGWLSV-GDBMZVCRSA-N -1 3 321.417 3.298 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000840918674 630377835 /nfs/dbraw/zinc/37/78/35/630377835.db2.gz YAMQQQHDMJZUNE-GFCCVEGCSA-N -1 3 309.715 3.117 20 10 DGCDHM C[C@@H](N[C@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761656 630463260 /nfs/dbraw/zinc/46/32/60/630463260.db2.gz QQNQVGWETGHRSH-BZNIZROVSA-N -1 3 314.341 3.223 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2nccn2C)c1 ZINC000850409580 632143149 /nfs/dbraw/zinc/14/31/49/632143149.db2.gz BVEKNMQRYVDHMJ-JTQLQIEISA-N -1 3 324.222 3.047 20 10 DGCDHM CCCCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185791561 660242350 /nfs/dbraw/zinc/24/23/50/660242350.db2.gz UVJNNKZMMMWQJU-HUUCEWRRSA-N -1 3 321.417 3.154 20 10 DGCDHM O=C(Nc1ccc(F)cc1NC1CC1)c1cccc(O)c1[O-] ZINC000185839831 660247728 /nfs/dbraw/zinc/24/77/28/660247728.db2.gz JECJTKCAWDWECN-UHFFFAOYSA-N -1 3 302.305 3.064 20 10 DGCDHM CN(CCOC(C)(C)C)Cc1c([O-])cccc1Br ZINC000707131762 660889738 /nfs/dbraw/zinc/88/97/38/660889738.db2.gz JYWQOHDASYXWAC-UHFFFAOYSA-N -1 3 316.239 3.402 20 10 DGCDHM C[C@@H](CNC(=O)c1cccc(O)c1[O-])Sc1ccccc1 ZINC000187142775 660957670 /nfs/dbraw/zinc/95/76/70/660957670.db2.gz UYRHUVOQNLEZNH-NSHDSACASA-N -1 3 303.383 3.008 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1C2CCC1CC2 ZINC000715792224 661214709 /nfs/dbraw/zinc/21/47/09/661214709.db2.gz ADCAOUMYSTZZBH-UHFFFAOYSA-N -1 3 300.171 3.421 20 10 DGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nc(C)cs2)c1[O-] ZINC000184218314 660159454 /nfs/dbraw/zinc/15/94/54/660159454.db2.gz FMPHQFFURTZPMY-VIFPVBQESA-N -1 3 308.378 3.350 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCSC[C@H](C)C2)c1[O-] ZINC000190426701 662032427 /nfs/dbraw/zinc/03/24/27/662032427.db2.gz YQGGURCPEMMYRD-SNVBAGLBSA-N -1 3 313.850 3.433 20 10 DGCDHM Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000192915623 662116010 /nfs/dbraw/zinc/11/60/10/662116010.db2.gz VKXOGOXQQISYID-UHFFFAOYSA-N -1 3 312.369 3.259 20 10 DGCDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(CC)CC ZINC000193129699 662123564 /nfs/dbraw/zinc/12/35/64/662123564.db2.gz IDASIWHHACTCOG-CABCVRRESA-N -1 3 321.417 3.154 20 10 DGCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093813769 662359534 /nfs/dbraw/zinc/35/95/34/662359534.db2.gz SGZBUUOLIWXKHV-AWEZNQCLSA-N -1 3 318.200 3.084 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cccc(Cn2cncn2)c1 ZINC000378890606 685146065 /nfs/dbraw/zinc/14/60/65/685146065.db2.gz QAKNVCVCKCJXOB-UHFFFAOYSA-N -1 3 314.776 3.298 20 10 DGCDHM CN(C)c1ccc(/C=C/CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001578998468 1191964132 /nfs/dbraw/zinc/96/41/32/1191964132.db2.gz LPRYEIVYKNOEMZ-SNAWJCMRSA-N -1 3 320.400 3.058 20 10 DGCDHM CN(C)c1ccc(/C=C/CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001578998468 1191964136 /nfs/dbraw/zinc/96/41/36/1191964136.db2.gz LPRYEIVYKNOEMZ-SNAWJCMRSA-N -1 3 320.400 3.058 20 10 DGCDHM CC[C@@H]([NH2+]Cc1ccc(C)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465135 1192510921 /nfs/dbraw/zinc/51/09/21/1192510921.db2.gz GFARKBKYMJNYQD-MRXNPFEDSA-N -1 3 323.400 3.122 20 10 DGCDHM C[C@H](Sc1ccc(F)cc1)C(=O)NCc1c([O-])cccc1F ZINC001596916404 1192710865 /nfs/dbraw/zinc/71/08/65/1192710865.db2.gz GDHAOPLTHPKDRA-JTQLQIEISA-N -1 3 323.364 3.467 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC001596911004 1192710000 /nfs/dbraw/zinc/71/00/00/1192710000.db2.gz CIFWHPLMMGRSAC-GHMZBOCLSA-N -1 3 321.298 3.229 20 10 DGCDHM CC[C@@H](C)Oc1cc(C(=O)NCc2c([O-])cccc2F)ccn1 ZINC001596912611 1192710150 /nfs/dbraw/zinc/71/01/50/1192710150.db2.gz PTUHPPWFSWTPNK-LLVKDONJSA-N -1 3 318.348 3.034 20 10 DGCDHM Cc1cccc(CCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001600529430 1192868005 /nfs/dbraw/zinc/86/80/05/1192868005.db2.gz ILVMGVDTLIBLAV-CYBMUJFWSA-N -1 3 314.385 3.077 20 10 DGCDHM O=C([O-])[C@H]1CCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601808771 1192946259 /nfs/dbraw/zinc/94/62/59/1192946259.db2.gz OFKFFPMTVMDASK-IRXDYDNUSA-N -1 3 311.381 3.402 20 10 DGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1nccs1 ZINC001604186073 1193059298 /nfs/dbraw/zinc/05/92/98/1193059298.db2.gz VVUCWVQTGNUWKT-ZJUUUORDSA-N -1 3 306.387 3.001 20 10 DGCDHM CC(C)[C@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336874 1193066076 /nfs/dbraw/zinc/06/60/76/1193066076.db2.gz BZVALEPQRXNSKY-DXCKQFNASA-N -1 3 321.417 3.192 20 10 DGCDHM C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338636 1193066547 /nfs/dbraw/zinc/06/65/47/1193066547.db2.gz PRIXQXGXSVQMKK-ULKVUYOBSA-N -1 3 315.772 3.446 20 10 DGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccnc1 ZINC001605278291 1193140553 /nfs/dbraw/zinc/14/05/53/1193140553.db2.gz XUARASYENLSNAL-QGZVFWFLSA-N -1 3 314.385 3.215 20 10 DGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccnc1 ZINC001605278291 1193140557 /nfs/dbraw/zinc/14/05/57/1193140557.db2.gz XUARASYENLSNAL-QGZVFWFLSA-N -1 3 314.385 3.215 20 10 DGCDHM O=C(Nc1cccc([O-])c1F)c1cc2cc(O)c(O)cc2s1 ZINC001466118009 1183188754 /nfs/dbraw/zinc/18/87/54/1183188754.db2.gz BQTPMRFAJIPCMV-UHFFFAOYSA-N -1 3 319.313 3.410 20 10 DGCDHM CC(C)(c1ccccc1)C1(NC(=O)c2cccc(O)c2[O-])CC1 ZINC001468011396 1183304395 /nfs/dbraw/zinc/30/43/95/1183304395.db2.gz NFIOPEULAQFLRI-UHFFFAOYSA-N -1 3 311.381 3.338 20 10 DGCDHM O=c1[nH]ccc2cc(NCc3ccc(Cl)cc3[O-])ccc21 ZINC001474621477 1183951301 /nfs/dbraw/zinc/95/13/01/1183951301.db2.gz FMWWTXBLODVRGI-UHFFFAOYSA-N -1 3 300.745 3.499 20 10 DGCDHM C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609740391 1193353223 /nfs/dbraw/zinc/35/32/23/1193353223.db2.gz DYIQMBDSGXAFQH-RYUDHWBXSA-N -1 3 303.358 3.355 20 10 DGCDHM COc1cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])ccc1C ZINC001610297786 1193381634 /nfs/dbraw/zinc/38/16/34/1193381634.db2.gz SDNLESBLZKDFIF-GFCCVEGCSA-N -1 3 315.369 3.258 20 10 DGCDHM O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(F)ccc1O ZINC001610801845 1193409325 /nfs/dbraw/zinc/40/93/25/1193409325.db2.gz VTDXMZJCTFDLQQ-HOTGVXAUSA-N -1 3 315.344 3.322 20 10 DGCDHM CC[C@H](C)Oc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001558020542 1189098933 /nfs/dbraw/zinc/09/89/33/1189098933.db2.gz PYAQSERXVRIUIS-NSHDSACASA-N -1 3 316.357 3.231 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC[C@H]1C1CC1 ZINC001564921809 1189606682 /nfs/dbraw/zinc/60/66/82/1189606682.db2.gz MCLMPUHCDXXVMJ-STQMWFEESA-N -1 3 306.381 3.157 20 10 DGCDHM CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1c([O-])cccc1F ZINC001635360245 1194546672 /nfs/dbraw/zinc/54/66/72/1194546672.db2.gz FRMIZOMRMCJARK-QGZVFWFLSA-N -1 3 317.360 3.314 20 10 DGCDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCCc2ccccc21 ZINC001638864383 1194741349 /nfs/dbraw/zinc/74/13/49/1194741349.db2.gz YPQDTYDFSFNJRC-LJQANCHMSA-N -1 3 313.372 3.442 20 10 DGCDHM CSc1ccc([O-])c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001639966197 1194789339 /nfs/dbraw/zinc/78/93/39/1194789339.db2.gz XQEIQKBWCHQIAD-UHFFFAOYSA-N -1 3 323.801 3.403 20 10 DGCDHM O=C(NCc1c(Cl)oc2ccccc21)c1cccc(O)c1[O-] ZINC001641441964 1194853940 /nfs/dbraw/zinc/85/39/40/1194853940.db2.gz JHPRPUSDMINGRZ-UHFFFAOYSA-N -1 3 317.728 3.427 20 10 DGCDHM Cc1cc(CC(=O)[N-]OC/C=C\Cl)c(C)n1-c1ccccc1 ZINC001642038189 1194885290 /nfs/dbraw/zinc/88/52/90/1194885290.db2.gz RCIGYLARVJJSEF-TWGQIWQCSA-N -1 3 318.804 3.437 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2cc(F)ccc2[nH]1 ZINC001645045916 1195152500 /nfs/dbraw/zinc/15/25/00/1195152500.db2.gz MFORTNOQELWONI-UHFFFAOYSA-N -1 3 302.280 3.082 20 10 DGCDHM O=C(/C=C\c1ccnc2ccccc12)NCc1c([O-])cccc1F ZINC001646034143 1195211898 /nfs/dbraw/zinc/21/18/98/1195211898.db2.gz ICEHRNHZBMDHAE-HJWRWDBZSA-N -1 3 322.339 3.409 20 10 DGCDHM CC(C)(Oc1ccc(F)cc1)C(=O)NCc1c([O-])cccc1F ZINC001652296012 1195577451 /nfs/dbraw/zinc/57/74/51/1195577451.db2.gz ZPHQUVNHEZIHJS-UHFFFAOYSA-N -1 3 321.323 3.144 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC001652298746 1195577879 /nfs/dbraw/zinc/57/78/79/1195577879.db2.gz PSWUIFBTXYEJHX-VHSXEESVSA-N -1 3 321.298 3.229 20 10 DGCDHM COC(=O)[C@@H](CC(C)(C)C)NCc1cc(Cl)c(C)cc1[O-] ZINC001658417755 1196254434 /nfs/dbraw/zinc/25/44/34/1196254434.db2.gz AQAIODFYMAIPFY-CYBMUJFWSA-N -1 3 313.825 3.421 20 10 DGCDHM CCOC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(C)(C)C ZINC001658760502 1196296399 /nfs/dbraw/zinc/29/63/99/1196296399.db2.gz XXJHJZFHKMXDBN-CQSZACIVSA-N -1 3 313.825 3.421 20 10 DGCDHM CC[C@H](C)C[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC001659531602 1196393179 /nfs/dbraw/zinc/39/31/79/1196393179.db2.gz HZGXGZYRUKLVJY-HZMBPMFUSA-N -1 3 313.825 3.421 20 10 DGCDHM O=C1CCN1c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001664480079 1197005067 /nfs/dbraw/zinc/00/50/67/1197005067.db2.gz YFPGQJVDOGLLRA-UHFFFAOYSA-N -1 3 304.296 3.019 20 10 DGCDHM CC(=O)c1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001665029825 1197089637 /nfs/dbraw/zinc/08/96/37/1197089637.db2.gz ZJDQPIDOQOSNTF-UHFFFAOYSA-N -1 3 302.305 3.056 20 10 DGCDHM CC(C)C1(O)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001665901394 1197213964 /nfs/dbraw/zinc/21/39/64/1197213964.db2.gz PFWPTVPGRHXCAZ-UHFFFAOYSA-N -1 3 301.789 3.168 20 10 DGCDHM C[C@@H]1Cc2cc(NC(=O)NCc3c([O-])cccc3F)ccc2O1 ZINC001673328057 1197649495 /nfs/dbraw/zinc/64/94/95/1197649495.db2.gz UVYVELIFRZRTIT-SNVBAGLBSA-N -1 3 316.332 3.176 20 10 DGCDHM Cc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001677390700 1198527190 /nfs/dbraw/zinc/52/71/90/1198527190.db2.gz DIJKCQZLKUMYQA-LBPRGKRZSA-N -1 3 302.349 3.400 20 10 DGCDHM Cc1ccc(CCNC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001677830707 1198592214 /nfs/dbraw/zinc/59/22/14/1198592214.db2.gz VEKPDMYBODNHLN-UHFFFAOYSA-N -1 3 316.376 3.190 20 10 DGCDHM Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001683822518 1199309610 /nfs/dbraw/zinc/30/96/10/1199309610.db2.gz QLXIXNXVZAKYQW-XJKSGUPXSA-N -1 3 314.360 3.195 20 10 DGCDHM O=C(NCc1cccc2[nH]ccc21)NCc1c([O-])cccc1F ZINC001684797385 1199415631 /nfs/dbraw/zinc/41/56/31/1199415631.db2.gz TWAIQFKWCQXCHZ-UHFFFAOYSA-N -1 3 313.332 3.012 20 10 DGCDHM CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001595278120 980309059 /nfs/dbraw/zinc/30/90/59/980309059.db2.gz ACDFZNLUWSCKRP-NHYWBVRUSA-N -1 3 300.358 3.287 20 10 DGCDHM CC[C@@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1ccccc1[O-] ZINC001595304852 980440649 /nfs/dbraw/zinc/44/06/49/980440649.db2.gz JKDRBIDXTZOASP-MRXNPFEDSA-N -1 3 315.369 3.097 20 10 DGCDHM C[C@H]([NH2+][C@H]1C[C@@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218480 994286469 /nfs/dbraw/zinc/28/64/69/994286469.db2.gz GKFHVWOFOPTABV-NUTKFTJISA-N -1 3 311.381 3.372 20 10 DGCDHM C[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234433 994402322 /nfs/dbraw/zinc/40/23/22/994402322.db2.gz ZZOUCERNYWKKEK-HWPZZCPQSA-N -1 3 312.369 3.011 20 10 DGCDHM C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252043 994502101 /nfs/dbraw/zinc/50/21/01/994502101.db2.gz MNLSEOIZVSQRDQ-WCQYABFASA-N -1 3 321.442 3.274 20 10 DGCDHM C[C@@H]([NH2+]CCCNc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267129 994586348 /nfs/dbraw/zinc/58/63/48/994586348.db2.gz LJLAUIYTZBKOMC-CYBMUJFWSA-N -1 3 314.385 3.243 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccccc1O[C@@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001593647929 995994730 /nfs/dbraw/zinc/99/47/30/995994730.db2.gz DWIKOTIZDVHQGA-OLZOCXBDSA-N -1 3 315.369 3.095 20 10 DGCDHM [O-]c1cc(Br)cc(F)c1CN1C[C@H]2CC[C@@H]1C2 ZINC001233031377 1098206830 /nfs/dbraw/zinc/20/68/30/1098206830.db2.gz CKIFAVBRCMIEIO-WCBMZHEXSA-N -1 3 300.171 3.278 20 10 DGCDHM C/C=C\C[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001181457988 1083470451 /nfs/dbraw/zinc/47/04/51/1083470451.db2.gz SNRLGQZPEZWUBW-KXQLTZBTSA-N -1 3 311.809 3.342 20 10 DGCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1SC ZINC001299169103 1084342286 /nfs/dbraw/zinc/34/22/86/1084342286.db2.gz ZECLQPKHPSNJJJ-UHFFFAOYSA-N -1 3 305.355 3.081 20 10 DGCDHM Cc1cccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142508790 1087274327 /nfs/dbraw/zinc/27/43/27/1087274327.db2.gz LOQXLKAIQRLLCZ-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM Nc1nccc(F)c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522470 1088528207 /nfs/dbraw/zinc/52/82/07/1088528207.db2.gz SFIWBGMUBWIOTN-UHFFFAOYSA-N -1 3 318.739 3.322 20 10 DGCDHM O=C(CCCc1c(F)cccc1F)NCc1c([O-])cccc1F ZINC001156170578 1089416252 /nfs/dbraw/zinc/41/62/52/1089416252.db2.gz QHWUEXSWXMSHPB-UHFFFAOYSA-N -1 3 323.314 3.449 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC001156170467 1089416284 /nfs/dbraw/zinc/41/62/84/1089416284.db2.gz NKTONUZCYDRWNT-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(C(F)(F)F)cc1 ZINC001156170665 1089417360 /nfs/dbraw/zinc/41/73/60/1089417360.db2.gz QYHBJCRSUDGVKH-UHFFFAOYSA-N -1 3 313.250 3.480 20 10 DGCDHM Cc1cc(Cl)cc(C(=O)NCc2c([O-])cccc2F)c1N ZINC001156177888 1089420933 /nfs/dbraw/zinc/42/09/33/1089420933.db2.gz RCZGVAMULQOVBK-UHFFFAOYSA-N -1 3 308.740 3.005 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800089 1089926512 /nfs/dbraw/zinc/92/65/12/1089926512.db2.gz WROAASVGRUIXHC-ZIAGYGMSSA-N -1 3 305.752 3.326 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN(CCO)Cc1cccs1 ZINC001237124524 1090287391 /nfs/dbraw/zinc/28/73/91/1090287391.db2.gz NFSAAFHSFPIZGQ-UHFFFAOYSA-N -1 3 315.797 3.241 20 10 DGCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cc2cnccc2o1 ZINC001203457570 1090532725 /nfs/dbraw/zinc/53/27/25/1090532725.db2.gz LIRCRCKDDMGVHI-SNVBAGLBSA-N -1 3 313.313 3.292 20 10 DGCDHM CC(=O)[C@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC001203645489 1090772627 /nfs/dbraw/zinc/77/26/27/1090772627.db2.gz KYXPKYJKTHLRAZ-CYBMUJFWSA-N -1 3 312.207 3.098 20 10 DGCDHM [O-]c1c(CNCc2cccc(C(F)(F)F)n2)ccc(F)c1F ZINC001205882895 1091393822 /nfs/dbraw/zinc/39/38/22/1091393822.db2.gz OIDWUWXTEANZAY-UHFFFAOYSA-N -1 3 318.245 3.374 20 10 DGCDHM [O-]c1c(F)cccc1CN1CC(Cc2c(F)cccc2F)C1 ZINC001206180717 1091524353 /nfs/dbraw/zinc/52/43/53/1091524353.db2.gz SCUXTANHJIPCOE-UHFFFAOYSA-N -1 3 307.315 3.484 20 10 DGCDHM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c([O-])cccc1Cl ZINC001140341827 1091834453 /nfs/dbraw/zinc/83/44/53/1091834453.db2.gz JEOAONLVXWBWGQ-MKBNYLNASA-N -1 3 323.820 3.209 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1Cc1ccccc1 ZINC001140341654 1091835492 /nfs/dbraw/zinc/83/54/92/1091835492.db2.gz AGVBWJDVRTXOQK-OAHLLOKOSA-N -1 3 317.816 3.489 20 10 DGCDHM CCOC(=O)CN(Cc1c([O-])cccc1Cl)C1CCCC1 ZINC001140342722 1091836237 /nfs/dbraw/zinc/83/62/37/1091836237.db2.gz VSCQQJZLYZQEPY-UHFFFAOYSA-N -1 3 311.809 3.353 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC(OCc2ccccc2)C1 ZINC001140345245 1091837653 /nfs/dbraw/zinc/83/76/53/1091837653.db2.gz QKAYBBXEBAPNNX-UHFFFAOYSA-N -1 3 303.789 3.447 20 10 DGCDHM CN(CCCC(=O)c1cccnc1)Cc1c([O-])cc(F)cc1F ZINC001140583247 1091920306 /nfs/dbraw/zinc/92/03/06/1091920306.db2.gz AYYFIDYQAHZYMU-UHFFFAOYSA-N -1 3 320.339 3.160 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001140585530 1091921270 /nfs/dbraw/zinc/92/12/70/1091921270.db2.gz MMYODSUZHQDFEK-CQSZACIVSA-N -1 3 320.339 3.109 20 10 DGCDHM Cc1cccc(O[C@H]2CCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585378 1091921976 /nfs/dbraw/zinc/92/19/76/1091921976.db2.gz HKGDHQXLZSIRCH-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM O=C(c1ccccc1)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530955 1092495108 /nfs/dbraw/zinc/49/51/08/1092495108.db2.gz MODBASDAHSNMRL-CYBMUJFWSA-N -1 3 317.335 3.375 20 10 DGCDHM O=C(N[C@@H]1CCc2ccc(Cl)cc21)c1cccc(O)c1[O-] ZINC001149971770 1092745995 /nfs/dbraw/zinc/74/59/95/1092745995.db2.gz HWJFIZDUVWSDJM-CYBMUJFWSA-N -1 3 303.745 3.169 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc3ccncc3c2)no1 ZINC001215145980 1093926934 /nfs/dbraw/zinc/92/69/34/1093926934.db2.gz VJXFNDUSJDLSPM-UHFFFAOYSA-N -1 3 305.293 3.363 20 10 DGCDHM COc1c(F)cc(-c2noc(-c3cccc(O)c3[O-])n2)cc1F ZINC001215145773 1093927212 /nfs/dbraw/zinc/92/72/12/1093927212.db2.gz IHECMZITZKEFHW-UHFFFAOYSA-N -1 3 320.251 3.102 20 10 DGCDHM Cc1cc(F)cc(-c2noc(-c3cccc(O)c3[O-])n2)c1F ZINC001215145653 1093927312 /nfs/dbraw/zinc/92/73/12/1093927312.db2.gz AMLORELMWCVOEH-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cncc3ccccc32)no1 ZINC001215145685 1093927331 /nfs/dbraw/zinc/92/73/31/1093927331.db2.gz CDLSEQFUYVAFBU-UHFFFAOYSA-N -1 3 305.293 3.363 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001215145772 1093927373 /nfs/dbraw/zinc/92/73/73/1093927373.db2.gz IEOFNQCKRXKLTC-UHFFFAOYSA-N -1 3 309.325 3.089 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc4ccncc43)no2)cc1O ZINC001215327804 1093961537 /nfs/dbraw/zinc/96/15/37/1093961537.db2.gz UTTLRSXFSDVXKF-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccnc4ccccc43)no2)cc1O ZINC001215328521 1093961995 /nfs/dbraw/zinc/96/19/95/1093961995.db2.gz JAIAMVXRCBCOBN-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cccc(F)c1F ZINC001117507681 1095775080 /nfs/dbraw/zinc/77/50/80/1095775080.db2.gz SUOAZEOAUYHAHS-UHFFFAOYSA-N -1 3 309.659 3.407 20 10 DGCDHM Cc1ccc(C(=O)Nc2cnc3c(F)cccc3c2)c([O-])c1O ZINC001146491588 1096053793 /nfs/dbraw/zinc/05/37/93/1096053793.db2.gz FACLHDPOQNNSBG-UHFFFAOYSA-N -1 3 312.300 3.346 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCc2c3ccccc3oc2C1 ZINC001148219016 1096327654 /nfs/dbraw/zinc/32/76/54/1096327654.db2.gz RKNNECRSLSQUFO-UHFFFAOYSA-N -1 3 309.321 3.043 20 10 DGCDHM Cc1ccc(OC(C)C)cc1NC(=O)c1cccc(O)c1[O-] ZINC001148218691 1096328685 /nfs/dbraw/zinc/32/86/85/1096328685.db2.gz HDYUALVEVUWFAT-UHFFFAOYSA-N -1 3 301.342 3.446 20 10 DGCDHM O=C(Nc1cncc(-c2ccccc2)c1)c1cc(O)c([O-])c(O)c1 ZINC001148583054 1096407478 /nfs/dbraw/zinc/40/74/78/1096407478.db2.gz QUHONYIRVAHJER-UHFFFAOYSA-N -1 3 322.320 3.118 20 10 DGCDHM C[C@@H]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)[C@H]1C ZINC001227439342 1096933103 /nfs/dbraw/zinc/93/31/03/1096933103.db2.gz WCORREYKDUBYEN-FRRDWIJNSA-N -1 3 308.397 3.403 20 10 DGCDHM CO[C@H](C)CCOc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937577 1097016258 /nfs/dbraw/zinc/01/62/58/1097016258.db2.gz MXMVPHDRASORNR-GFCCVEGCSA-N -1 3 316.353 3.133 20 10 DGCDHM CC[C@H](COc1c(O)c([O-])ccc1C(=O)c1ccccc1)OC ZINC001227939906 1097017353 /nfs/dbraw/zinc/01/73/53/1097017353.db2.gz FUHNWIAFDBQRJJ-CYBMUJFWSA-N -1 3 316.353 3.133 20 10 DGCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c([O-])c1 ZINC001231452122 1097752517 /nfs/dbraw/zinc/75/25/17/1097752517.db2.gz AORISQBAIYHKSU-CQSZACIVSA-N -1 3 307.365 3.195 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC001231455441 1097752998 /nfs/dbraw/zinc/75/29/98/1097752998.db2.gz NVRJJIPMNYCSAJ-OAHLLOKOSA-N -1 3 303.402 3.493 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c([O-])c1 ZINC001231455441 1097753001 /nfs/dbraw/zinc/75/30/01/1097753001.db2.gz NVRJJIPMNYCSAJ-OAHLLOKOSA-N -1 3 303.402 3.493 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)cc1Cl ZINC001231869951 1097869817 /nfs/dbraw/zinc/86/98/17/1097869817.db2.gz BRIHDQWYPNIWHW-XHVZSJERSA-N -1 3 321.726 3.258 20 10 DGCDHM Cc1cc([O-])c(CN2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001231871690 1097871556 /nfs/dbraw/zinc/87/15/56/1097871556.db2.gz POXGBALRAQJEQG-CQSZACIVSA-N -1 3 303.793 3.481 20 10 DGCDHM Cc1cc([O-])c(CN2CCC[C@H]2c2ncccn2)cc1Cl ZINC001231871688 1097872549 /nfs/dbraw/zinc/87/25/49/1097872549.db2.gz POXGBALRAQJEQG-AWEZNQCLSA-N -1 3 303.793 3.481 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCc2cc(CO)ccc2C1 ZINC001231910696 1097890904 /nfs/dbraw/zinc/89/09/04/1097890904.db2.gz QYCKVFYSVTXQBK-UHFFFAOYSA-N -1 3 303.789 3.096 20 10 DGCDHM CCc1nc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC001231914182 1097892125 /nfs/dbraw/zinc/89/21/25/1097892125.db2.gz HBKORNZVRWXLTL-UHFFFAOYSA-N -1 3 321.808 3.371 20 10 DGCDHM COc1cc([O-])c(CN2CC3(C2)CC(F)(F)C3)cc1Cl ZINC001232265871 1097987164 /nfs/dbraw/zinc/98/71/64/1097987164.db2.gz GQBGJXCCQYXSEE-UHFFFAOYSA-N -1 3 303.736 3.285 20 10 DGCDHM Oc1cc2c(cc1O)CN(Cc1ccc([S-])cc1)CCC2 ZINC001233262093 1098268207 /nfs/dbraw/zinc/26/82/07/1098268207.db2.gz QGKZMVAIZRHQKW-UHFFFAOYSA-N -1 3 301.411 3.335 20 10 DGCDHM CC(C)(O)CN(Cc1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233335614 1098292259 /nfs/dbraw/zinc/29/22/59/1098292259.db2.gz DDZJNVCKGVNVTM-UHFFFAOYSA-N -1 3 321.367 3.444 20 10 DGCDHM COC(=O)c1cccc(CN(C)Cc2c([O-])ccc(F)c2F)c1 ZINC001233336051 1098293141 /nfs/dbraw/zinc/29/31/41/1098293141.db2.gz WWVKFRYYSNYNQF-UHFFFAOYSA-N -1 3 321.323 3.089 20 10 DGCDHM CC(=O)c1cccc([O-])c1NC(=O)C=Cc1ccc(N(C)C)cc1 ZINC001180128324 1099325124 /nfs/dbraw/zinc/32/51/24/1099325124.db2.gz JOVDJPWJEUOYKD-FMIVXFBMSA-N -1 3 324.380 3.313 20 10 DGCDHM Nc1ccc2c(c1)CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001236234335 1099488147 /nfs/dbraw/zinc/48/81/47/1099488147.db2.gz OKNYDEUSFBOGMK-UHFFFAOYSA-N -1 3 306.768 3.325 20 10 DGCDHM C[C@@H]1CC[C@@H](CO)CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794253 1099787167 /nfs/dbraw/zinc/78/71/67/1099787167.db2.gz QZBLKAITBVGVGR-NXEZZACHSA-N -1 3 304.217 3.292 20 10 DGCDHM COc1cc([O-])c(CN2CCc3cnccc3C2)c(Cl)c1 ZINC001236797023 1099790624 /nfs/dbraw/zinc/79/06/24/1099790624.db2.gz AXCMDCTWKSDVFR-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@H](CCO)C1 ZINC001236795522 1099792220 /nfs/dbraw/zinc/79/22/20/1099792220.db2.gz FWFRMECHQNMERF-SNVBAGLBSA-N -1 3 304.217 3.293 20 10 DGCDHM COC(=O)C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237085910 1099964791 /nfs/dbraw/zinc/96/47/91/1099964791.db2.gz LHGZHXKYSYVLLM-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM CCCCCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237621075 1100190962 /nfs/dbraw/zinc/19/09/62/1100190962.db2.gz SUFRMINFWPOKIL-UHFFFAOYSA-N -1 3 314.832 3.493 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(n2cccn2)CC1 ZINC001237622207 1100191980 /nfs/dbraw/zinc/19/19/80/1100191980.db2.gz OSQQOTLCUWNAMF-UHFFFAOYSA-N -1 3 309.772 3.218 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@H](F)C[C@H]2C)cc1Br ZINC001237676091 1100210655 /nfs/dbraw/zinc/21/06/55/1100210655.db2.gz DZZAKYUCROIUHS-MWLCHTKSSA-N -1 3 302.187 3.395 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1Br ZINC001237681256 1100212434 /nfs/dbraw/zinc/21/24/34/1100212434.db2.gz PZWPVUGEYYYVBX-GAFUQQFSSA-N -1 3 314.198 3.253 20 10 DGCDHM Cc1cc(CN2CCC(=O)C[C@@H]2C)c([O-])cc1Br ZINC001250120558 1105445787 /nfs/dbraw/zinc/44/57/87/1105445787.db2.gz IQPLDMVLPANSKJ-JTQLQIEISA-N -1 3 312.207 3.017 20 10 DGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001251171304 1105635021 /nfs/dbraw/zinc/63/50/21/1105635021.db2.gz PJULVPIIERJKJG-VIFPVBQESA-N -1 3 324.302 3.370 20 10 DGCDHM CC(C)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(F)cc1 ZINC001252414767 1105777675 /nfs/dbraw/zinc/77/76/75/1105777675.db2.gz NVFJEFOLWBWKKN-UHFFFAOYSA-N -1 3 321.373 3.207 20 10 DGCDHM CCc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1 ZINC001255075453 1106174465 /nfs/dbraw/zinc/17/44/65/1106174465.db2.gz FDPHSZBOJYLIIL-UHFFFAOYSA-N -1 3 305.399 3.372 20 10 DGCDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1c([O-])cccc1Cl)C2 ZINC001319948724 1108711597 /nfs/dbraw/zinc/71/15/97/1108711597.db2.gz QUEUGGHLYGJNLP-UHFFFAOYSA-N -1 3 304.733 3.470 20 10 DGCDHM CC1(C)C[C@]1(CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001301307789 1111087745 /nfs/dbraw/zinc/08/77/45/1111087745.db2.gz IAVPNZNIBWQUDH-IBGZPJMESA-N -1 3 311.381 3.196 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1nccc2ccsc21 ZINC001303875731 1111156798 /nfs/dbraw/zinc/15/67/98/1111156798.db2.gz MPNJGPSFYXOHBS-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM COc1ccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001311738673 1111616809 /nfs/dbraw/zinc/61/68/09/1111616809.db2.gz PKGIILMWJBCRJR-LLVKDONJSA-N -1 3 318.348 3.100 20 10 DGCDHM CC(C)CO[C@H](C)c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000072517868 191185736 /nfs/dbraw/zinc/18/57/36/191185736.db2.gz RBXMYLYVELLWSN-CYBMUJFWSA-N -1 3 319.405 3.141 20 10 DGCDHM [O-]c1ccccc1C[NH+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000179552797 432062050 /nfs/dbraw/zinc/06/20/50/432062050.db2.gz JNUHOAUEGCVGHM-KRWDZBQOSA-N -1 3 313.397 3.279 20 10 DGCDHM COc1cc(CN(C)Cc2cccc(Cl)c2[O-])ccc1O ZINC000179665219 432066429 /nfs/dbraw/zinc/06/64/29/432066429.db2.gz MWEALESGRMBGEA-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM CCCN(Cc1ccccc1O)C(=O)c1cccc(OC)c1[O-] ZINC000170732305 432078662 /nfs/dbraw/zinc/07/86/62/432078662.db2.gz UDNQVUVJLBQAML-UHFFFAOYSA-N -1 3 315.369 3.159 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H]1c1ccc(Cl)cc1 ZINC000366167474 296253743 /nfs/dbraw/zinc/25/37/43/296253743.db2.gz BLFZSDSJVPKFPJ-ZDUSSCGKSA-N -1 3 303.745 3.338 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000366167473 296253901 /nfs/dbraw/zinc/25/39/01/296253901.db2.gz BLFZSDSJVPKFPJ-CYBMUJFWSA-N -1 3 303.745 3.338 20 10 DGCDHM Cc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)ccc1[O-] ZINC000272417365 130028571 /nfs/dbraw/zinc/02/85/71/130028571.db2.gz JPYRRNMXVWUTEO-UHFFFAOYSA-N -1 3 310.397 3.231 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3F)C2)c([O-])c1O ZINC000272718757 130056698 /nfs/dbraw/zinc/05/66/98/130056698.db2.gz DYHZHOLNOBHKHE-GFCCVEGCSA-N -1 3 315.344 3.175 20 10 DGCDHM C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432604 130120878 /nfs/dbraw/zinc/12/08/78/130120878.db2.gz WCXGFSSMJLHHQC-XRGYYRRGSA-N -1 3 318.122 3.273 20 10 DGCDHM CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588292 130141134 /nfs/dbraw/zinc/14/11/34/130141134.db2.gz OKANEGXOUXJABF-ABAIWWIYSA-N -1 3 301.346 3.497 20 10 DGCDHM CC[C@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356685 131232087 /nfs/dbraw/zinc/23/20/87/131232087.db2.gz ZMJLRWZNJAUHID-HOTGVXAUSA-N -1 3 307.340 3.445 20 10 DGCDHM C[C@@H](c1ccccc1)N(CC(=O)N(C)C)Cc1ccccc1[O-] ZINC000176679229 287145391 /nfs/dbraw/zinc/14/53/91/287145391.db2.gz RTJPLXNPYKCZJX-HNNXBMFYSA-N -1 3 312.413 3.044 20 10 DGCDHM CCS[C@@H](C)c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000137278578 432174892 /nfs/dbraw/zinc/17/48/92/432174892.db2.gz QJSXUVAARCCHMY-NSHDSACASA-N -1 3 307.419 3.221 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCCN(CC(F)(F)F)CC1 ZINC000129461547 227014409 /nfs/dbraw/zinc/01/44/09/227014409.db2.gz FWFLOGSLZCZUNP-UHFFFAOYSA-N -1 3 322.758 3.116 20 10 DGCDHM Cc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c([O-])c1O ZINC000179499398 228351273 /nfs/dbraw/zinc/35/12/73/228351273.db2.gz NXHIVYIYFUMONM-HNNXBMFYSA-N -1 3 311.381 3.036 20 10 DGCDHM CC1(CO)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000184073780 432351837 /nfs/dbraw/zinc/35/18/37/432351837.db2.gz USGSBMXMIPWHHB-UHFFFAOYSA-N -1 3 304.217 3.293 20 10 DGCDHM COC[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccco1 ZINC000184561350 432406446 /nfs/dbraw/zinc/40/64/46/432406446.db2.gz NDMVYEUGSFUXDR-AWEZNQCLSA-N -1 3 323.776 3.319 20 10 DGCDHM Cc1ccccc1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193040106 432442283 /nfs/dbraw/zinc/44/22/83/432442283.db2.gz NFHYLWSMPGQFAH-UHFFFAOYSA-N -1 3 311.381 3.426 20 10 DGCDHM COC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc(C)o1 ZINC000184716917 432426356 /nfs/dbraw/zinc/42/63/56/432426356.db2.gz XFOCUKXWKGITRB-OAHLLOKOSA-N -1 3 321.348 3.113 20 10 DGCDHM C[C@@H](NCc1nccs1)c1ccc(Br)cc1[O-] ZINC000185087943 432465595 /nfs/dbraw/zinc/46/55/95/432465595.db2.gz BJZACLATCQAQCO-MRVPVSSYSA-N -1 3 313.220 3.462 20 10 DGCDHM Cc1c(CN[C@H](C)c2ccc(Br)cc2[O-])cnn1C ZINC000186188395 432566762 /nfs/dbraw/zinc/56/67/62/432566762.db2.gz JZOZCNSTENYHNG-SECBINFHSA-N -1 3 324.222 3.047 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCSC2(CCOCC2)C1 ZINC000186487609 432600896 /nfs/dbraw/zinc/60/08/96/432600896.db2.gz BFXVPOGZPWRVDM-UHFFFAOYSA-N -1 3 313.850 3.144 20 10 DGCDHM COc1cc(F)cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273459254 432601252 /nfs/dbraw/zinc/60/12/52/432601252.db2.gz HSXGBFGYDUWUKM-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1CCc1ccccc1 ZINC000186988370 432641875 /nfs/dbraw/zinc/64/18/75/432641875.db2.gz IEKKZKUGAVBNOJ-OAHLLOKOSA-N -1 3 311.381 3.335 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1cccc(F)c1 ZINC000186988624 432641883 /nfs/dbraw/zinc/64/18/83/432641883.db2.gz NHXHVUUFVNTIJK-AWEZNQCLSA-N -1 3 301.317 3.214 20 10 DGCDHM O=C(N[C@H](c1ccccc1)c1ccncc1)c1cccc(O)c1[O-] ZINC000187024043 432642968 /nfs/dbraw/zinc/64/29/68/432642968.db2.gz DMQAZNHFOPYAMC-QGZVFWFLSA-N -1 3 320.348 3.012 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cccc(O)c1[O-] ZINC000187024023 432643347 /nfs/dbraw/zinc/64/33/47/432643347.db2.gz DMQAZNHFOPYAMC-KRWDZBQOSA-N -1 3 320.348 3.012 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cc1O ZINC000187688426 432676479 /nfs/dbraw/zinc/67/64/79/432676479.db2.gz YNBMHKSULPLPKO-VIFPVBQESA-N -1 3 309.312 3.235 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000278270285 432891171 /nfs/dbraw/zinc/89/11/71/432891171.db2.gz RRDZHYGMZCWCOW-UHFFFAOYSA-N -1 3 308.359 3.003 20 10 DGCDHM CC(C)C[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277394731 432845531 /nfs/dbraw/zinc/84/55/31/432845531.db2.gz NSZKUZLAEOBAMF-NSHDSACASA-N -1 3 324.808 3.244 20 10 DGCDHM CCOc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278573479 432897095 /nfs/dbraw/zinc/89/70/95/432897095.db2.gz DAXZOALPEMULBZ-UHFFFAOYSA-N -1 3 318.329 3.320 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1Cc1ccccc1 ZINC000279397093 432963910 /nfs/dbraw/zinc/96/39/10/432963910.db2.gz WDLOBGRLJXSTDC-OAHLLOKOSA-N -1 3 311.381 3.335 20 10 DGCDHM COc1cc(Cl)cc(CN[C@H](C2CC2)C(F)(F)F)c1[O-] ZINC000290178834 433007331 /nfs/dbraw/zinc/00/73/31/433007331.db2.gz NOKJLSHVHXIWOP-GFCCVEGCSA-N -1 3 309.715 3.485 20 10 DGCDHM CCc1nc([C@@H]2CCCCN2Cc2cc(F)ccc2[O-])no1 ZINC000376167897 433681847 /nfs/dbraw/zinc/68/18/47/433681847.db2.gz UMIFWNZQQIYUDE-ZDUSSCGKSA-N -1 3 305.353 3.204 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c1[O-] ZINC000293933976 433932922 /nfs/dbraw/zinc/93/29/22/433932922.db2.gz HQSWKCFHILWABN-IAGOWNOFSA-N -1 3 323.820 3.198 20 10 DGCDHM O=C1CCCCN1[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000364069015 434223231 /nfs/dbraw/zinc/22/32/31/434223231.db2.gz FMEKBIJBXFZNBA-AWEZNQCLSA-N -1 3 322.836 3.023 20 10 DGCDHM C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000295297021 434295853 /nfs/dbraw/zinc/29/58/53/434295853.db2.gz GSNQRVHDFSRKLB-IVZWLZJFSA-N -1 3 317.307 3.289 20 10 DGCDHM Cc1cnn([C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC000365623120 434302093 /nfs/dbraw/zinc/30/20/93/434302093.db2.gz PSVBGVWCNWDFGR-LLVKDONJSA-N -1 3 309.772 3.137 20 10 DGCDHM CCn1cc([C@@H](C)NCc2cc(Cl)cc(C(C)=O)c2[O-])cn1 ZINC000296159554 434528003 /nfs/dbraw/zinc/52/80/03/434528003.db2.gz SRZQVCGGZZXHAU-SNVBAGLBSA-N -1 3 321.808 3.315 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367701479 434554981 /nfs/dbraw/zinc/55/49/81/434554981.db2.gz LBGHDDBRBPSHSX-CYBMUJFWSA-N -1 3 323.742 3.325 20 10 DGCDHM CC[C@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997622 435018747 /nfs/dbraw/zinc/01/87/47/435018747.db2.gz JBWYABWKRBQIJK-GOEBONIOSA-N -1 3 314.360 3.135 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278403391 334096086 /nfs/dbraw/zinc/09/60/86/334096086.db2.gz OPBBWOZGMKOOCK-MFKMUULPSA-N -1 3 323.742 3.181 20 10 DGCDHM C[C@@H](NCc1cccc2c1OCO2)c1ccc(F)c(F)c1[O-] ZINC000191213249 525536043 /nfs/dbraw/zinc/53/60/43/525536043.db2.gz WIFFEVQBARFODK-SECBINFHSA-N -1 3 307.296 3.250 20 10 DGCDHM Cc1csc(C2(NC(=O)c3cccc(O)c3[O-])CCCC2)n1 ZINC000188483071 526324937 /nfs/dbraw/zinc/32/49/37/526324937.db2.gz GMDFYOATPDZWOC-UHFFFAOYSA-N -1 3 318.398 3.062 20 10 DGCDHM CCn1cc(CN[C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000273498380 536073427 /nfs/dbraw/zinc/07/34/27/536073427.db2.gz POSPFAIMTKTCCQ-SNVBAGLBSA-N -1 3 324.222 3.222 20 10 DGCDHM O=C(NC[C@H](c1cccs1)N1CCCC1)c1cc([O-])cs1 ZINC000731866421 574560345 /nfs/dbraw/zinc/56/03/45/574560345.db2.gz NFBZSGUSCJZPMA-GFCCVEGCSA-N -1 3 322.455 3.082 20 10 DGCDHM COc1cc(OC)c(NC(=O)c2cc([O-])cs2)cc1Cl ZINC000731864705 574560511 /nfs/dbraw/zinc/56/05/11/574560511.db2.gz DHTUFVCBOFNPCZ-UHFFFAOYSA-N -1 3 313.762 3.377 20 10 DGCDHM O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc([O-])cs1 ZINC000731863786 574560258 /nfs/dbraw/zinc/56/02/58/574560258.db2.gz DZGCLPPOXTYCJL-ZDUSSCGKSA-N -1 3 320.414 3.004 20 10 DGCDHM CC(C)n1ncc2cc(NC(=O)c3cc([O-])cs3)cnc21 ZINC000731867732 574561165 /nfs/dbraw/zinc/56/11/65/574561165.db2.gz RQVGSIHOPHZWSA-UHFFFAOYSA-N -1 3 302.359 3.032 20 10 DGCDHM CN(Cc1ccccc1N1CCCC1)C(=O)c1cc([O-])cs1 ZINC000731866584 574561184 /nfs/dbraw/zinc/56/11/84/574561184.db2.gz WWBUTCDPCIXHRH-UHFFFAOYSA-N -1 3 316.426 3.326 20 10 DGCDHM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc([O-])cs1 ZINC000731868252 574561333 /nfs/dbraw/zinc/56/13/33/574561333.db2.gz UIYSKDWDMOVABS-MRXNPFEDSA-N -1 3 310.378 3.368 20 10 DGCDHM CCC(=O)Nc1ccc(C)c(NC(=O)c2cc([O-])cs2)c1 ZINC000731869206 574561440 /nfs/dbraw/zinc/56/14/40/574561440.db2.gz CBBLZTQPYSGSGR-UHFFFAOYSA-N -1 3 304.371 3.363 20 10 DGCDHM COCCCOc1ccccc1NC(=O)c1cc([O-])cs1 ZINC000732276113 574569921 /nfs/dbraw/zinc/56/99/21/574569921.db2.gz HBRZFOVOJWRHBY-UHFFFAOYSA-N -1 3 307.371 3.121 20 10 DGCDHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)c(F)c1 ZINC000732353499 574572124 /nfs/dbraw/zinc/57/21/24/574572124.db2.gz RLKBYVJLRFFNLI-SECBINFHSA-N -1 3 323.345 3.085 20 10 DGCDHM C[C@H](C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C1CC1)C(=O)[O-] ZINC000736584026 574759907 /nfs/dbraw/zinc/75/99/07/574759907.db2.gz OLJWDYYOYFUGRZ-LLVKDONJSA-N -1 3 321.417 3.080 20 10 DGCDHM C[C@H](C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C1CC1)C(=O)[O-] ZINC000736584026 574759909 /nfs/dbraw/zinc/75/99/09/574759909.db2.gz OLJWDYYOYFUGRZ-LLVKDONJSA-N -1 3 321.417 3.080 20 10 DGCDHM CCOc1ccc(CN[C@H](COC)c2ccc(CC)o2)c([O-])c1 ZINC000742373754 574993354 /nfs/dbraw/zinc/99/33/54/574993354.db2.gz IQVMLDKJVFNCGJ-MRXNPFEDSA-N -1 3 319.401 3.424 20 10 DGCDHM CCOc1ccc(CN[C@H](C)c2nc(C(C)(C)C)no2)c([O-])c1 ZINC000742390513 574995954 /nfs/dbraw/zinc/99/59/54/574995954.db2.gz JKAGNXZFPZVKMT-LLVKDONJSA-N -1 3 319.405 3.322 20 10 DGCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743637687 575059574 /nfs/dbraw/zinc/05/95/74/575059574.db2.gz LYELGQOZFWEHFK-YGRLFVJLSA-N -1 3 321.373 3.195 20 10 DGCDHM CCOc1ccc(CNCc2cn3cc(C)ccc3n2)c([O-])c1 ZINC000729680918 575259814 /nfs/dbraw/zinc/25/98/14/575259814.db2.gz GSOGXGGEDXKXPO-UHFFFAOYSA-N -1 3 311.385 3.037 20 10 DGCDHM C[C@H](NCc1cc(-c2ccccc2)ccc1[O-])c1nncn1C ZINC000729680493 575259866 /nfs/dbraw/zinc/25/98/66/575259866.db2.gz QZXOKQLMUBUNEW-ZDUSSCGKSA-N -1 3 308.385 3.039 20 10 DGCDHM O=C(c1cc([O-])cs1)N(Cc1cccc(O)c1)CC1CC1 ZINC000748315248 575580037 /nfs/dbraw/zinc/58/00/37/575580037.db2.gz ULPQCWRMCVRCSD-UHFFFAOYSA-N -1 3 303.383 3.212 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c([O-])c1O ZINC000751533669 575789478 /nfs/dbraw/zinc/78/94/78/575789478.db2.gz BGFDCNAJXKQFMF-UHFFFAOYSA-N -1 3 315.354 3.110 20 10 DGCDHM C[C@@H]1C[C@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847309 575929181 /nfs/dbraw/zinc/92/91/81/575929181.db2.gz ZQHVJGXOARJMGG-QMTHXVAHSA-N -1 3 302.330 3.307 20 10 DGCDHM CS[C@@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000919224999 620740708 /nfs/dbraw/zinc/74/07/08/620740708.db2.gz DGESIXOCSAUCJC-GHMZBOCLSA-N -1 3 312.410 3.005 20 10 DGCDHM CS[C@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000919225001 620740808 /nfs/dbraw/zinc/74/08/08/620740808.db2.gz DGESIXOCSAUCJC-QWRGUYRKSA-N -1 3 312.410 3.005 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000894793795 618462369 /nfs/dbraw/zinc/46/23/69/618462369.db2.gz IWQQSMGBEFODSE-GDBMZVCRSA-N -1 3 309.356 3.204 20 10 DGCDHM Cc1ccc(CC[C@H](C)NC(=O)NCc2c([O-])cccc2F)o1 ZINC000920625196 620811659 /nfs/dbraw/zinc/81/16/59/620811659.db2.gz KDXPIWPBEDXVAL-NSHDSACASA-N -1 3 320.364 3.253 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956729 618630657 /nfs/dbraw/zinc/63/06/57/618630657.db2.gz CSLURHRDQUVURS-ZBFHGGJFSA-N -1 3 321.779 3.493 20 10 DGCDHM CC(C)(C)n1ncc2c1ncnc2NCc1c([O-])cccc1F ZINC000895832413 618839122 /nfs/dbraw/zinc/83/91/22/618839122.db2.gz GNZPUJONSWYVAJ-UHFFFAOYSA-N -1 3 315.352 3.038 20 10 DGCDHM Cn1ccc([C@@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000896490269 618917893 /nfs/dbraw/zinc/91/78/93/618917893.db2.gz RIUUBHNIQPFBDD-LLVKDONJSA-N -1 3 323.799 3.298 20 10 DGCDHM Cc1cc([O-])c(CN[C@H](c2ncccn2)C2CC2)cc1Cl ZINC000896596899 618932862 /nfs/dbraw/zinc/93/28/62/618932862.db2.gz LFRVAKTUHXNHFA-HNNXBMFYSA-N -1 3 303.793 3.385 20 10 DGCDHM COc1cc2c(c(CNCc3c([O-])cccc3F)c1)O[C@H](C)C2 ZINC000896642459 618937932 /nfs/dbraw/zinc/93/79/32/618937932.db2.gz WYWYDDMPERCSOZ-LLVKDONJSA-N -1 3 317.360 3.153 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000928708726 619059701 /nfs/dbraw/zinc/05/97/01/619059701.db2.gz RQXOXUYFZCLQBN-RKDXNWHRSA-N -1 3 305.271 3.126 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000923023678 621148132 /nfs/dbraw/zinc/14/81/32/621148132.db2.gz CGYVDJGJYYMWEY-ZIAGYGMSSA-N -1 3 314.360 3.134 20 10 DGCDHM Cc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])nc1C ZINC000840783581 621199004 /nfs/dbraw/zinc/19/90/04/621199004.db2.gz LJLRQZUZLBZWCF-GFCCVEGCSA-N -1 3 301.346 3.163 20 10 DGCDHM C[C@]1(F)CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862382117 621582352 /nfs/dbraw/zinc/58/23/52/621582352.db2.gz PYPSTIQGXTUMHW-ZDUSSCGKSA-N -1 3 302.187 3.479 20 10 DGCDHM COC(=O)[C@@H](CC1CCCCC1)NCc1cc(F)ccc1[O-] ZINC000756146584 621618459 /nfs/dbraw/zinc/61/84/59/621618459.db2.gz KLNGTLZGYLYSHV-OAHLLOKOSA-N -1 3 309.381 3.133 20 10 DGCDHM Cc1ccc2nc(CN[C@@H](C)c3cc(F)cc(F)c3[O-])cn2c1 ZINC000756533097 621645334 /nfs/dbraw/zinc/64/53/34/621645334.db2.gz GUOYPHADIGWSAS-NSHDSACASA-N -1 3 317.339 3.477 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(F)ccc2F)c1 ZINC000756549400 621647123 /nfs/dbraw/zinc/64/71/23/621647123.db2.gz NJCCWNFCHHICJC-SNVBAGLBSA-N -1 3 321.323 3.308 20 10 DGCDHM C[C@H](N[C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713024 621659920 /nfs/dbraw/zinc/65/99/20/621659920.db2.gz SNGYICKWAUVLAZ-BJOHPYRUSA-N -1 3 311.303 3.194 20 10 DGCDHM C[C@H](NCc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788165 621664846 /nfs/dbraw/zinc/66/48/46/621664846.db2.gz BLTPEFAJEMXBTN-VIFPVBQESA-N -1 3 307.737 3.200 20 10 DGCDHM CCOC(=O)c1ccc(NCc2c([O-])cccc2Cl)cn1 ZINC000758449469 621782952 /nfs/dbraw/zinc/78/29/52/621782952.db2.gz OEZPUYDVVBJSIM-UHFFFAOYSA-N -1 3 306.749 3.229 20 10 DGCDHM CCCOc1ccc(CNC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000789854626 625571145 /nfs/dbraw/zinc/57/11/45/625571145.db2.gz DZGADVIWNDEGBX-UHFFFAOYSA-N -1 3 315.369 3.125 20 10 DGCDHM CCC1(CC)CN(Cc2c([O-])cccc2Cl)CC[S@]1=O ZINC000769558117 622540980 /nfs/dbraw/zinc/54/09/80/622540980.db2.gz SMPCPCJRHRHNTJ-HXUWFJFHSA-N -1 3 315.866 3.169 20 10 DGCDHM COc1cc(F)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774915774 623207963 /nfs/dbraw/zinc/20/79/63/623207963.db2.gz VDNOSMBKSAEZPN-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM COc1c([O-])c(CN2CCc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000775055994 623222019 /nfs/dbraw/zinc/22/20/19/623222019.db2.gz JWSYAFRWHTTZHZ-UHFFFAOYSA-N -1 3 314.341 3.180 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000775725087 623319227 /nfs/dbraw/zinc/31/92/27/623319227.db2.gz HHSIXEWKLLXVOB-ZDUSSCGKSA-N -1 3 323.742 3.181 20 10 DGCDHM O=C(NCCc1cccc2ccccc21)c1cccc(O)c1[O-] ZINC000776347338 623414956 /nfs/dbraw/zinc/41/49/56/623414956.db2.gz ZJXYXDMKLRDLMO-UHFFFAOYSA-N -1 3 307.349 3.224 20 10 DGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(C)c1C ZINC000776747661 623459003 /nfs/dbraw/zinc/45/90/03/623459003.db2.gz JFBLKFNLOPYQFW-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM Cc1[nH]c2c(cc(C)cc2CNC(=O)c2cccc(O)c2[O-])c1C ZINC000790570301 625671643 /nfs/dbraw/zinc/67/16/43/625671643.db2.gz BATNPHBZXSTYPL-UHFFFAOYSA-N -1 3 324.380 3.434 20 10 DGCDHM COc1c(C)cnc(CN(C)Cc2ccc(F)c(F)c2[O-])c1C ZINC000877319804 623851388 /nfs/dbraw/zinc/85/13/88/623851388.db2.gz KPYXAVXALJCTST-UHFFFAOYSA-N -1 3 322.355 3.323 20 10 DGCDHM C[C@H](O)[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611747 623961719 /nfs/dbraw/zinc/96/17/19/623961719.db2.gz ZAXYVPRNGBDDCP-BJOHPYRUSA-N -1 3 311.303 3.021 20 10 DGCDHM COc1cnccc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331292 624338171 /nfs/dbraw/zinc/33/81/71/624338171.db2.gz PJKFWSUUGNSRRU-QWRGUYRKSA-N -1 3 317.345 3.116 20 10 DGCDHM COc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC(C)C ZINC000790931321 625717293 /nfs/dbraw/zinc/71/72/93/625717293.db2.gz NVARJOILKHCXFM-UHFFFAOYSA-N -1 3 317.341 3.146 20 10 DGCDHM Cc1nnc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788736527 625255575 /nfs/dbraw/zinc/25/55/75/625255575.db2.gz 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ZINC000928704810 628179191 /nfs/dbraw/zinc/17/91/91/628179191.db2.gz DJQHZMLFIOCILK-GFCCVEGCSA-N -1 3 317.360 3.035 20 10 DGCDHM CO[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1(C)C ZINC000824820211 628697206 /nfs/dbraw/zinc/69/72/06/628697206.db2.gz BNQCTBSUTDALPC-CYBMUJFWSA-N -1 3 301.789 3.432 20 10 DGCDHM [O-]c1c(Br)cccc1CNCc1cnc(C2CC2)o1 ZINC000825172367 628735089 /nfs/dbraw/zinc/73/50/89/628735089.db2.gz QQUDBFPVTOOJLY-UHFFFAOYSA-N -1 3 323.190 3.310 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H](C)[S@@]1=O ZINC000825886826 628807374 /nfs/dbraw/zinc/80/73/74/628807374.db2.gz QQVPFVHTYVVBCR-YZRASEIHSA-N -1 3 315.866 3.085 20 10 DGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2CC(F)F)cc1Cl ZINC000825893312 628808063 /nfs/dbraw/zinc/80/80/63/628808063.db2.gz VRZCRSPIMQECTL-LLVKDONJSA-N -1 3 305.752 3.210 20 10 DGCDHM Cc1cc([O-])c(CN2CC[S@@](=O)C(C)(C)CC2)cc1Cl ZINC000826084133 628826685 /nfs/dbraw/zinc/82/66/85/628826685.db2.gz UTYHQLNPSCLTPJ-HXUWFJFHSA-N -1 3 315.866 3.087 20 10 DGCDHM Cc1cc([O-])c(CN2CC[S@](=O)C(C)(C)CC2)cc1Cl ZINC000826084132 628826716 /nfs/dbraw/zinc/82/67/16/628826716.db2.gz UTYHQLNPSCLTPJ-FQEVSTJZSA-N -1 3 315.866 3.087 20 10 DGCDHM Cc1cc([O-])c(CNCc2nnc(C3CC3)s2)cc1Cl ZINC000826124015 628830066 /nfs/dbraw/zinc/83/00/66/628830066.db2.gz YMDXWVLIJVFSIQ-UHFFFAOYSA-N -1 3 309.822 3.373 20 10 DGCDHM CCOc1ccc(C[NH2+]C2(CC(=O)[O-])CCCCC2)c([O-])c1 ZINC000830075451 629222256 /nfs/dbraw/zinc/22/22/56/629222256.db2.gz VUIAAADIOHBJSW-UHFFFAOYSA-N -1 3 307.390 3.058 20 10 DGCDHM COc1ccc(O)c([C@H](C)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC000833733892 629644163 /nfs/dbraw/zinc/64/41/63/629644163.db2.gz UZBSATRXUVLHGJ-JTQLQIEISA-N -1 3 319.332 3.089 20 10 DGCDHM COc1ccc(O)c([C@@H](C)NCc2ccc(C(=O)[O-])cc2F)c1 ZINC000833733893 629644547 /nfs/dbraw/zinc/64/45/47/629644547.db2.gz UZBSATRXUVLHGJ-SNVBAGLBSA-N -1 3 319.332 3.089 20 10 DGCDHM CCN1C(=O)C(C)(C)N[C@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000840834644 630364150 /nfs/dbraw/zinc/36/41/50/630364150.db2.gz 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ZINC000187220559 660970384 /nfs/dbraw/zinc/97/03/84/660970384.db2.gz XEZZZEOJSURUHL-SNVBAGLBSA-N -1 3 305.296 3.195 20 10 DGCDHM COc1ccc(CNC(=O)c2cc([O-])c3ccccc3c2)c(O)c1 ZINC000794390039 661082515 /nfs/dbraw/zinc/08/25/15/661082515.db2.gz FFUXHLDVMNRFPL-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1Cl ZINC000177659393 655611857 /nfs/dbraw/zinc/61/18/57/655611857.db2.gz DZWUSCGFNCLGMB-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC000186994660 656134952 /nfs/dbraw/zinc/13/49/52/656134952.db2.gz HIDRRYFJHPLADA-UHFFFAOYSA-N -1 3 301.342 3.447 20 10 DGCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1Cl ZINC000194893983 656205952 /nfs/dbraw/zinc/20/59/52/656205952.db2.gz YCAUAEXWXHUEHA-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OCC ZINC000322530020 658535113 /nfs/dbraw/zinc/53/51/13/658535113.db2.gz WLSADEBLRCLYKM-UHFFFAOYSA-N -1 3 317.341 3.148 20 10 DGCDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(F)ccc1[O-] ZINC000078762659 662084271 /nfs/dbraw/zinc/08/42/71/662084271.db2.gz NTMFBPFYQWYSIR-HNNXBMFYSA-N -1 3 306.381 3.075 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc2c(c1)CCCC2 ZINC000192718346 662109424 /nfs/dbraw/zinc/10/94/24/662109424.db2.gz ROTOOVRRKWTRCI-UHFFFAOYSA-N -1 3 303.383 3.072 20 10 DGCDHM CC(C)OCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192990158 662119381 /nfs/dbraw/zinc/11/93/81/662119381.db2.gz HFOYKQVABQXXFU-UHFFFAOYSA-N -1 3 301.342 3.275 20 10 DGCDHM O=C(Nc1ccc(-c2ccccc2)cn1)c1cccc(O)c1[O-] ZINC000192988376 662119405 /nfs/dbraw/zinc/11/94/05/662119405.db2.gz WAQFKMCGBVKMEK-UHFFFAOYSA-N -1 3 306.321 3.412 20 10 DGCDHM CCOC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1ccccc1 ZINC000194749201 662172679 /nfs/dbraw/zinc/17/26/79/662172679.db2.gz VIMPUXGJEOHPRN-MRXNPFEDSA-N -1 3 319.788 3.440 20 10 DGCDHM CC[C@H]([NH2+]Cc1ccc(C)cc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590465133 1192510327 /nfs/dbraw/zinc/51/03/27/1192510327.db2.gz GFARKBKYMJNYQD-INIZCTEOSA-N -1 3 323.400 3.122 20 10 DGCDHM Cn1c(Cl)c(Cl)cc1C(=O)NCc1c([O-])cccc1F ZINC001596912147 1192710348 /nfs/dbraw/zinc/71/03/48/1192710348.db2.gz MASHCBKZLCBWAO-UHFFFAOYSA-N -1 3 317.147 3.107 20 10 DGCDHM Cc1cc(Cl)cc(C[N@H+](CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC001600218859 1192812660 /nfs/dbraw/zinc/81/26/60/1192812660.db2.gz CVADKXCKZLDTOF-UHFFFAOYSA-N -1 3 319.788 3.441 20 10 DGCDHM Cc1cc(Cl)cc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC001600218859 1192812664 /nfs/dbraw/zinc/81/26/64/1192812664.db2.gz CVADKXCKZLDTOF-UHFFFAOYSA-N -1 3 319.788 3.441 20 10 DGCDHM Cc1oc(CN(C)Cc2cc(C)c(C)cc2O)cc1C(=O)[O-] ZINC001600286583 1192827224 /nfs/dbraw/zinc/82/72/24/1192827224.db2.gz QWHYXHROGNJSLF-UHFFFAOYSA-N -1 3 303.358 3.241 20 10 DGCDHM Cc1ccc(C[NH2+][C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001600419873 1192849992 /nfs/dbraw/zinc/84/99/92/1192849992.db2.gz QLTGRVVSDVALJB-YOEHRIQHSA-N -1 3 313.397 3.122 20 10 DGCDHM C[C@@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604325565 1193064373 /nfs/dbraw/zinc/06/43/73/1193064373.db2.gz OSJGAPULICLYIQ-PIGZYNQJSA-N -1 3 312.369 3.287 20 10 DGCDHM CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336879 1193065931 /nfs/dbraw/zinc/06/59/31/1193065931.db2.gz BZVALEPQRXNSKY-QEORTHHSSA-N -1 3 321.417 3.192 20 10 DGCDHM C[C@H]([NH2+]CC1(c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604337205 1193066386 /nfs/dbraw/zinc/06/63/86/1193066386.db2.gz LUNBTBUDUIRSNL-ZDUSSCGKSA-N -1 3 311.381 3.473 20 10 DGCDHM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cccc(O)c1[O-] ZINC001441480412 1182064260 /nfs/dbraw/zinc/06/42/60/1182064260.db2.gz KCYXOPYLMCVPBB-CYBMUJFWSA-N -1 3 315.369 3.443 20 10 DGCDHM Cn1cnc(-c2cccc(NCc3ccc(Cl)cc3[O-])c2)n1 ZINC001462061521 1182903442 /nfs/dbraw/zinc/90/34/42/1182903442.db2.gz GVFGQTWAFPNUAX-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM CCCNC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001462390438 1182946015 /nfs/dbraw/zinc/94/60/15/1182946015.db2.gz JBICWILEVXYMBA-UHFFFAOYSA-N -1 3 320.339 3.422 20 10 DGCDHM C[C@@H](CC(N)=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001462601786 1182975321 /nfs/dbraw/zinc/97/53/21/1182975321.db2.gz GVUGXORWKIJQTM-JTQLQIEISA-N -1 3 320.339 3.261 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCn2nc(C3CC3)cc2C1 ZINC001462625195 1182977205 /nfs/dbraw/zinc/97/72/05/1182977205.db2.gz XTEYHSBYOZLWSH-UHFFFAOYSA-N -1 3 303.793 3.135 20 10 DGCDHM O=C(NC1(Cc2cccc(F)c2)CCC1)c1cccc(O)c1[O-] ZINC001467299802 1183253451 /nfs/dbraw/zinc/25/34/51/1183253451.db2.gz OCPZLBBJSAHNDD-UHFFFAOYSA-N -1 3 315.344 3.132 20 10 DGCDHM O=C(NCc1ccccc1Cl)NCc1c([O-])cccc1F ZINC001467634160 1183276445 /nfs/dbraw/zinc/27/64/45/1183276445.db2.gz WYBDNJBVNSSDSD-UHFFFAOYSA-N -1 3 308.740 3.184 20 10 DGCDHM C[C@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1[O-] ZINC001607460979 1193230763 /nfs/dbraw/zinc/23/07/63/1193230763.db2.gz UWUQMCVKYGGERW-LBPRGKRZSA-N -1 3 314.385 3.079 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3cccnc3)n2)c([O-])c1O ZINC001472017871 1183607804 /nfs/dbraw/zinc/60/78/04/1183607804.db2.gz KVZJKIAVBWSNBB-UHFFFAOYSA-N -1 3 321.336 3.116 20 10 DGCDHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474504820 1183932950 /nfs/dbraw/zinc/93/29/50/1183932950.db2.gz KZSXNPYTFSJEGL-AWEZNQCLSA-N -1 3 307.344 3.347 20 10 DGCDHM COc1ccc(N(C)Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001474601467 1183947356 /nfs/dbraw/zinc/94/73/56/1183947356.db2.gz PHZNMWTVTRKASI-UHFFFAOYSA-N -1 3 309.312 3.324 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1Cc2cccc(O)c2C1 ZINC001474677270 1183960953 /nfs/dbraw/zinc/96/09/53/1183960953.db2.gz IGRAFMAJRDHVPI-UHFFFAOYSA-N -1 3 320.186 3.376 20 10 DGCDHM O=C([O-])[C@@H](CC(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001608529798 1193291005 /nfs/dbraw/zinc/29/10/05/1193291005.db2.gz GLNYVQRUARMGMB-CQSZACIVSA-N -1 3 321.323 3.257 20 10 DGCDHM C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609750100 1193354009 /nfs/dbraw/zinc/35/40/09/1193354009.db2.gz MCYZRWMVPGJAFK-MNOVXSKESA-N -1 3 305.399 3.434 20 10 DGCDHM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC001610736678 1193405998 /nfs/dbraw/zinc/40/59/98/1193405998.db2.gz YOCJOGPZRURKAE-HOTGVXAUSA-N -1 3 303.402 3.248 20 10 DGCDHM O=C([O-])[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC001610736678 1193405999 /nfs/dbraw/zinc/40/59/99/1193405999.db2.gz YOCJOGPZRURKAE-HOTGVXAUSA-N -1 3 303.402 3.248 20 10 DGCDHM O=C(NCC1(c2ccccc2F)CCC1)c1cccc(O)c1[O-] ZINC001557345417 1189058444 /nfs/dbraw/zinc/05/84/44/1189058444.db2.gz MSICARPEBSZYDG-UHFFFAOYSA-N -1 3 315.344 3.089 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC001559665906 1189227921 /nfs/dbraw/zinc/22/79/21/1189227921.db2.gz UGBDQWBEJWXWFC-QWHCGFSZSA-N -1 3 315.747 3.335 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@]23CCOC3)c1[O-] ZINC001560233164 1189295762 /nfs/dbraw/zinc/29/57/62/1189295762.db2.gz SVLBEPFLFXJSLA-QGZVFWFLSA-N -1 3 323.820 3.393 20 10 DGCDHM Cc1cc(NCc2cccc(F)c2[O-])ccc1N1CCOCC1 ZINC001560703097 1189363820 /nfs/dbraw/zinc/36/38/20/1189363820.db2.gz AXELIKLBSDATTA-UHFFFAOYSA-N -1 3 316.376 3.288 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN[C@H](c1nc[nH]n1)c1ccccc1 ZINC001560742179 1189372826 /nfs/dbraw/zinc/37/28/26/1189372826.db2.gz ULDRGSQSVQKMKB-HNNXBMFYSA-N -1 3 314.776 3.043 20 10 DGCDHM Cc1nc(NCc2cccc(F)c2[O-])ccc1-c1cnn(C)c1 ZINC001560846343 1189393032 /nfs/dbraw/zinc/39/30/32/1189393032.db2.gz FTSPNKAIFQBXAT-UHFFFAOYSA-N -1 3 312.348 3.247 20 10 DGCDHM Cc1cc([O-])c(CN2CC(O)(c3ccccc3)C2)cc1Cl ZINC001560865992 1189395779 /nfs/dbraw/zinc/39/57/79/1189395779.db2.gz RWYZTFIBGISMPT-UHFFFAOYSA-N -1 3 303.789 3.057 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cnc2c(c1)CCCC2 ZINC001562618710 1189488350 /nfs/dbraw/zinc/48/83/50/1189488350.db2.gz YTPPEWUTRPVEEB-UHFFFAOYSA-N -1 3 315.348 3.127 20 10 DGCDHM COc1ccccc1[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001565242627 1189632052 /nfs/dbraw/zinc/63/20/52/1189632052.db2.gz LQMGHIGDXWNWTC-NSHDSACASA-N -1 3 318.348 3.100 20 10 DGCDHM COc1ccc(N(C)Cc2cc(=O)[n-]c(-c3ccccc3)n2)cc1 ZINC001619792027 1193761360 /nfs/dbraw/zinc/76/13/60/1193761360.db2.gz PIMGSOGSPRSUCQ-UHFFFAOYSA-N -1 3 321.380 3.494 20 10 DGCDHM C[C@H](CC(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001635360290 1194546518 /nfs/dbraw/zinc/54/65/18/1194546518.db2.gz IAGIYSDTSWUHNA-LLVKDONJSA-N -1 3 305.324 3.480 20 10 DGCDHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001635360291 1194546882 /nfs/dbraw/zinc/54/68/82/1194546882.db2.gz IAGIYSDTSWUHNA-NSHDSACASA-N -1 3 305.324 3.480 20 10 DGCDHM O=C(C/C=C\c1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001635360400 1194546913 /nfs/dbraw/zinc/54/69/13/1194546913.db2.gz LPOAIGJMPBBUEO-IWQZZHSRSA-N -1 3 303.308 3.390 20 10 DGCDHM Cc1nc(CC(C)C)c(C(=O)NCc2c([O-])cccc2F)s1 ZINC001645048532 1195152378 /nfs/dbraw/zinc/15/23/78/1195152378.db2.gz YZIPHZHTPGVEIA-UHFFFAOYSA-N -1 3 322.405 3.425 20 10 DGCDHM COc1ccc(C(=O)NCc2c([O-])cccc2F)c(Cl)c1 ZINC001652295914 1195576390 /nfs/dbraw/zinc/57/63/90/1195576390.db2.gz VDNXPMFFJYJZPL-UHFFFAOYSA-N -1 3 309.724 3.123 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001652295301 1195577072 /nfs/dbraw/zinc/57/70/72/1195577072.db2.gz GTDFFVXVXOQHSA-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM COc1cc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])c([O-])c1 ZINC001653231646 1195701918 /nfs/dbraw/zinc/70/19/18/1195701918.db2.gz WUBJWOGZRLJWTN-UHFFFAOYSA-N -1 3 307.777 3.358 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OCC[C@H]2C)c1[O-] ZINC001655120591 1195879326 /nfs/dbraw/zinc/87/93/26/1195879326.db2.gz RAJSIHAWVPDDCU-GHMZBOCLSA-N -1 3 311.809 3.248 20 10 DGCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC001655950898 1195981872 /nfs/dbraw/zinc/98/18/72/1195981872.db2.gz VTCMQXUKMOEBID-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM COc1cc(F)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001657934767 1196194633 /nfs/dbraw/zinc/19/46/33/1196194633.db2.gz KSBCVWWRSCVZSU-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCc2nc[nH]c2C12CCC2 ZINC001658435857 1196256368 /nfs/dbraw/zinc/25/63/68/1196256368.db2.gz JXHOHMQGIHUCPL-UHFFFAOYSA-N -1 3 303.793 3.206 20 10 DGCDHM Cc1ccc(NC(=O)CN(C)Cc2ccc(Cl)cc2[O-])cc1 ZINC001659015378 1196332003 /nfs/dbraw/zinc/33/20/03/1196332003.db2.gz PFKKPZDZRGQJDS-UHFFFAOYSA-N -1 3 318.804 3.425 20 10 DGCDHM O=c1[nH]ccc2cc(NCc3cc(F)c(F)cc3[O-])ccc21 ZINC001659629712 1196401237 /nfs/dbraw/zinc/40/12/37/1196401237.db2.gz MGYQTXMVSRKRAM-UHFFFAOYSA-N -1 3 302.280 3.124 20 10 DGCDHM C[C@@H](Cc1ccccc1F)NC(=O)NCc1c([O-])cccc1F ZINC001667195502 1197328605 /nfs/dbraw/zinc/32/86/05/1197328605.db2.gz YUNSKLCAHNDPEO-NSHDSACASA-N -1 3 320.339 3.101 20 10 DGCDHM C[C@H](Cc1ccccc1F)NC(=O)NCc1c([O-])cccc1F ZINC001667195499 1197328705 /nfs/dbraw/zinc/32/87/05/1197328705.db2.gz YUNSKLCAHNDPEO-LLVKDONJSA-N -1 3 320.339 3.101 20 10 DGCDHM CC[C@H](C)c1ncc(NC(=O)NCc2c([O-])cccc2F)cn1 ZINC001669299810 1197448037 /nfs/dbraw/zinc/44/80/37/1197448037.db2.gz NEBZJTZZCVEIQX-JTQLQIEISA-N -1 3 318.352 3.157 20 10 DGCDHM CCC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001673078804 1197636804 /nfs/dbraw/zinc/63/68/04/1197636804.db2.gz VVHXCSDATXEPKQ-UHFFFAOYSA-N -1 3 316.332 3.446 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1ccccc1)C(F)F ZINC001677779275 1198588141 /nfs/dbraw/zinc/58/81/41/1198588141.db2.gz RZUSQVRQKLQFGD-AWEZNQCLSA-N -1 3 324.302 3.337 20 10 DGCDHM Cc1cccc([C@@H](C)CNC(=O)NCc2c([O-])cccc2F)c1 ZINC001679567448 1198806987 /nfs/dbraw/zinc/80/69/87/1198806987.db2.gz OFFQAVKYUNTNSB-ZDUSSCGKSA-N -1 3 316.376 3.443 20 10 DGCDHM COc1cc(C)cc(NC(=O)NCc2c([O-])cccc2F)c1C ZINC001679771474 1198821920 /nfs/dbraw/zinc/82/19/20/1198821920.db2.gz VAFFELKHXMSGIY-UHFFFAOYSA-N -1 3 318.348 3.478 20 10 DGCDHM O=C(NCc1cc2ccccc2o1)NCc1c([O-])cccc1F ZINC001682227961 1199144188 /nfs/dbraw/zinc/14/41/88/1199144188.db2.gz IQBBCMCQABAKBT-UHFFFAOYSA-N -1 3 314.316 3.277 20 10 DGCDHM O=C(NC/C=C/c1ccccc1)NCc1c([O-])cccc1F ZINC001684421736 1199384166 /nfs/dbraw/zinc/38/41/66/1199384166.db2.gz RLWMRTDOBNKCSQ-VMPITWQZSA-N -1 3 300.333 3.044 20 10 DGCDHM O=C(NCc1cc2ccccc2[nH]1)NCc1c([O-])cccc1F ZINC001686451815 1199564851 /nfs/dbraw/zinc/56/48/51/1199564851.db2.gz VRTJWOSBUPRJSS-UHFFFAOYSA-N -1 3 313.332 3.012 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c(C)c1 ZINC000243088483 1203581699 /nfs/dbraw/zinc/58/16/99/1203581699.db2.gz IUXLNDBGCKLDKN-UHFFFAOYSA-N -1 3 304.415 3.170 20 10 DGCDHM CC(C)(C(=O)[O-])[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC001589601207 987425621 /nfs/dbraw/zinc/42/56/21/987425621.db2.gz ISLBQPSJHRDFOK-MRXNPFEDSA-N -1 3 317.360 3.473 20 10 DGCDHM C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208263 994222674 /nfs/dbraw/zinc/22/26/74/994222674.db2.gz AJEINNILGBRSTQ-APPDUMDISA-N -1 3 312.369 3.287 20 10 DGCDHM C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251728 994499494 /nfs/dbraw/zinc/49/94/94/994499494.db2.gz KSFDAOGGPFAFCW-XNKSSIQNSA-N -1 3 323.392 3.327 20 10 DGCDHM C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593303224 994733373 /nfs/dbraw/zinc/73/33/73/994733373.db2.gz FOHDDHBUPYWUHJ-GFCCVEGCSA-N -1 3 322.364 3.489 20 10 DGCDHM C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304274 994743084 /nfs/dbraw/zinc/74/30/84/994743084.db2.gz KIROARJATOVXRX-LBPRGKRZSA-N -1 3 322.364 3.489 20 10 DGCDHM COc1cc(Cl)cc(C[NH2+][C@@H](CC(C)(C)C)C(=O)[O-])c1[O-] ZINC001599420688 997588799 /nfs/dbraw/zinc/58/87/99/997588799.db2.gz OZNFDLFGOIYEKP-NSHDSACASA-N -1 3 315.797 3.033 20 10 DGCDHM CCn1nc(C)c(CN(C)Cc2cc(F)c(F)cc2[O-])c1C ZINC001183205309 1083903250 /nfs/dbraw/zinc/90/32/50/1083903250.db2.gz IJZJVKZRQYUEPK-UHFFFAOYSA-N -1 3 309.360 3.136 20 10 DGCDHM O=C1CC[C@H](c2ccccc2NCc2cccc(F)c2[O-])N1 ZINC001183597961 1083983982 /nfs/dbraw/zinc/98/39/82/1083983982.db2.gz WCCVBMIQNOXXJD-OAHLLOKOSA-N -1 3 300.333 3.095 20 10 DGCDHM O=C1CC[C@@H](c2ccccc2NCc2cccc(F)c2[O-])N1 ZINC001183597957 1083984620 /nfs/dbraw/zinc/98/46/20/1083984620.db2.gz WCCVBMIQNOXXJD-HNNXBMFYSA-N -1 3 300.333 3.095 20 10 DGCDHM Cc1cc([O-])c(CN2CCn3nc(C4CC4)cc3C2)c(Cl)c1 ZINC001184106437 1084099332 /nfs/dbraw/zinc/09/93/32/1084099332.db2.gz PUTWLNILTGBZID-UHFFFAOYSA-N -1 3 317.820 3.444 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@](C)(C(F)F)O1 ZINC000698930093 1087708451 /nfs/dbraw/zinc/70/84/51/1087708451.db2.gz YRDBZNBOBKENDQ-OTYXRUKQSA-N -1 3 305.752 3.290 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1-n1cccc1 ZINC001156178022 1089420661 /nfs/dbraw/zinc/42/06/61/1089420661.db2.gz SGVPUHMFHSCKAO-UHFFFAOYSA-N -1 3 310.328 3.252 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC[C@](O)(CF)C1 ZINC001237078369 1090283474 /nfs/dbraw/zinc/28/34/74/1090283474.db2.gz QETHAXVSCKVHDA-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM Nc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c(F)c1 ZINC001168528253 1090357438 /nfs/dbraw/zinc/35/74/38/1090357438.db2.gz REVBXKYFHXVBRG-UHFFFAOYSA-N -1 3 318.739 3.322 20 10 DGCDHM Cc1ccc(C)n1-c1ccc(NCCCc2c[n-][nH]c2=O)cc1 ZINC001164373687 1090416973 /nfs/dbraw/zinc/41/69/73/1090416973.db2.gz ALGMPNJHTILUGE-HNNXBMFYSA-N -1 3 310.401 3.018 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C1CC(F)(F)C1 ZINC001139126559 1091457517 /nfs/dbraw/zinc/45/75/17/1091457517.db2.gz KKWVSLQKLGGTCL-UHFFFAOYSA-N -1 3 309.312 3.037 20 10 DGCDHM CCN(Cc1ccccn1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129576 1091458964 /nfs/dbraw/zinc/45/89/64/1091458964.db2.gz AQPBXRIWSLAPMT-UHFFFAOYSA-N -1 3 324.380 3.224 20 10 DGCDHM Cc1cc([O-])c(CN2CCOc3ccc(O)cc3C2)c(Cl)c1 ZINC001206763433 1091730597 /nfs/dbraw/zinc/73/05/97/1091730597.db2.gz ZVGVNRHCHIWUKZ-UHFFFAOYSA-N -1 3 319.788 3.454 20 10 DGCDHM CN(Cc1cccnc1)Cc1c([O-])cccc1Br ZINC001140098635 1091767742 /nfs/dbraw/zinc/76/77/42/1091767742.db2.gz IVOWDXDLBRJLHP-UHFFFAOYSA-N -1 3 307.191 3.182 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCc2cccnc2C1 ZINC001140103535 1091769369 /nfs/dbraw/zinc/76/93/69/1091769369.db2.gz NXGRSUDVSQSGKI-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM CCOCc1noc2c1CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140345137 1091835177 /nfs/dbraw/zinc/83/51/77/1091835177.db2.gz PDLAZHAJQNDKSC-UHFFFAOYSA-N -1 3 322.792 3.128 20 10 DGCDHM O=C1CSc2cc(NCc3cccc(F)c3[O-])ccc2N1 ZINC001207225552 1091893231 /nfs/dbraw/zinc/89/32/31/1091893231.db2.gz MIHXQSKAHPPRFJ-UHFFFAOYSA-N -1 3 304.346 3.188 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1conc1Cc1ccccc1 ZINC001207622174 1092046208 /nfs/dbraw/zinc/04/62/08/1092046208.db2.gz LKDYTQDQJBJSJM-UHFFFAOYSA-N -1 3 312.344 3.400 20 10 DGCDHM COc1ccc2c(c1)CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142508834 1092492066 /nfs/dbraw/zinc/49/20/66/1092492066.db2.gz NFWUXZTYYDMEHP-UHFFFAOYSA-N -1 3 305.324 3.237 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(Oc2ccccn2)CC1 ZINC001142521126 1092495082 /nfs/dbraw/zinc/49/50/82/1092495082.db2.gz YKBUKGUSIDOOMK-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM CC(=O)c1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(F)c1 ZINC001215145886 1093927207 /nfs/dbraw/zinc/92/72/07/1093927207.db2.gz PGJOFVBYMKMHGB-UHFFFAOYSA-N -1 3 314.272 3.157 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(Cl)cc2F)no1 ZINC001215325539 1093960982 /nfs/dbraw/zinc/96/09/82/1093960982.db2.gz YHVUJMGQMHRYCW-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(Cl)c(F)c3)no2)cc1O ZINC001215327865 1093961722 /nfs/dbraw/zinc/96/17/22/1093961722.db2.gz XLCCHSSVCDQPGD-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cc1N ZINC001215845505 1094072739 /nfs/dbraw/zinc/07/27/39/1094072739.db2.gz CKAAGAXHJSHOEB-UHFFFAOYSA-N -1 3 320.414 3.207 20 10 DGCDHM COc1ccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cc1 ZINC001216952341 1094283542 /nfs/dbraw/zinc/28/35/42/1094283542.db2.gz WHHMZTAUJCGDCW-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM [O-]c1ccc(-c2nc(-c3cc(F)ccn3)no2)c(Cl)c1O ZINC001216953676 1094283563 /nfs/dbraw/zinc/28/35/63/1094283563.db2.gz GYMRJZJUHBTNCA-UHFFFAOYSA-N -1 3 307.668 3.002 20 10 DGCDHM O=C(Nc1ccccc1CC(F)(F)F)c1cccc(O)c1[O-] ZINC001136833089 1095191826 /nfs/dbraw/zinc/19/18/26/1095191826.db2.gz CFXRSMPLLZPHQN-UHFFFAOYSA-N -1 3 311.259 3.455 20 10 DGCDHM Cc1ccc(C)c(N2CCN(Cc3c([O-])cccc3F)CC2)c1 ZINC001137831675 1095755857 /nfs/dbraw/zinc/75/58/57/1095755857.db2.gz JRVWPDPKSRLYQZ-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM Cc1cc(F)ccc1N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137840132 1095760346 /nfs/dbraw/zinc/76/03/46/1095760346.db2.gz RVRWBWFPXJNNEI-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM CCN(Cc1ccc2c(c1)OCO2)Cc1c([O-])cccc1F ZINC001137841599 1095760854 /nfs/dbraw/zinc/76/08/54/1095760854.db2.gz LVUACRVXTZYWCI-UHFFFAOYSA-N -1 3 303.333 3.282 20 10 DGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1CC=CC1 ZINC001146703728 1096084249 /nfs/dbraw/zinc/08/42/49/1096084249.db2.gz VLPOVXDNWVLHTG-UHFFFAOYSA-N -1 3 302.761 3.176 20 10 DGCDHM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001148224451 1096329984 /nfs/dbraw/zinc/32/99/84/1096329984.db2.gz MDEKODIBGCUTOK-JFTQMJAMSA-N -1 3 323.392 3.410 20 10 DGCDHM CC(C)C[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001148589641 1096408761 /nfs/dbraw/zinc/40/87/61/1096408761.db2.gz FUUFQQWUDDONQR-CQSZACIVSA-N -1 3 315.369 3.321 20 10 DGCDHM O=C(NCc1cccc2cc[nH]c21)NCc1c([O-])cccc1F ZINC001226368931 1096672477 /nfs/dbraw/zinc/67/24/77/1096672477.db2.gz HFJRVLDHLBWTJP-UHFFFAOYSA-N -1 3 313.332 3.012 20 10 DGCDHM CC[C@@H](COC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938156 1097017510 /nfs/dbraw/zinc/01/75/10/1097017510.db2.gz RKZAHEIJHHJXKN-ZDUSSCGKSA-N -1 3 316.353 3.133 20 10 DGCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c([O-])c1 ZINC001231452121 1097751456 /nfs/dbraw/zinc/75/14/56/1097751456.db2.gz AORISQBAIYHKSU-AWEZNQCLSA-N -1 3 307.365 3.195 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccs2)c([O-])c1 ZINC001231453004 1097753967 /nfs/dbraw/zinc/75/39/67/1097753967.db2.gz ZSIKDYOEUKLGHI-ZDUSSCGKSA-N -1 3 303.383 3.489 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2c2cccs2)c([O-])c1 ZINC001231453004 1097753970 /nfs/dbraw/zinc/75/39/70/1097753970.db2.gz ZSIKDYOEUKLGHI-ZDUSSCGKSA-N -1 3 303.383 3.489 20 10 DGCDHM Cc1cc([O-])c(CN2CCc3nc(Cl)ncc3C2)cc1Cl ZINC001231870512 1097872655 /nfs/dbraw/zinc/87/26/55/1097872655.db2.gz GYHLZDKHUOCTFF-UHFFFAOYSA-N -1 3 324.211 3.356 20 10 DGCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@]1(O)C(F)(F)F ZINC001231910673 1097890000 /nfs/dbraw/zinc/89/00/00/1097890000.db2.gz QESBFNGUVAUBAN-TVQRCGJNSA-N -1 3 323.742 3.181 20 10 DGCDHM COC(=O)CCN(Cc1ccco1)Cc1cccc(Cl)c1[O-] ZINC001231912017 1097891057 /nfs/dbraw/zinc/89/10/57/1097891057.db2.gz SOGQCXNPRPMSAV-UHFFFAOYSA-N -1 3 323.776 3.204 20 10 DGCDHM Cc1cc([C@H]2CCCN2Cc2cc(Cl)c([O-])cc2O)no1 ZINC001232260399 1097984666 /nfs/dbraw/zinc/98/46/66/1097984666.db2.gz PNGHTIHUDHNYHN-CYBMUJFWSA-N -1 3 308.765 3.385 20 10 DGCDHM COc1cc([O-])c(CN2CCOc3ccccc3C2)cc1Cl ZINC001232265191 1097987201 /nfs/dbraw/zinc/98/72/01/1097987201.db2.gz QXKFHZXEANVEPL-UHFFFAOYSA-N -1 3 319.788 3.449 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H]2c2cnccn2)cc1Cl ZINC001232270065 1097988511 /nfs/dbraw/zinc/98/85/11/1097988511.db2.gz RPLQJTQLYCKVBC-CQSZACIVSA-N -1 3 319.792 3.181 20 10 DGCDHM O=C(c1ccccc1)[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233078657 1098221325 /nfs/dbraw/zinc/22/13/25/1098221325.db2.gz CZTPDKSFFLMVPP-CQSZACIVSA-N -1 3 317.335 3.375 20 10 DGCDHM COc1cc([O-])c(CN2CC3(CCC3)C2)cc1Br ZINC001233137497 1098235422 /nfs/dbraw/zinc/23/54/22/1098235422.db2.gz PGDPIFQQLHLFAL-UHFFFAOYSA-N -1 3 312.207 3.149 20 10 DGCDHM Cc1ccc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336478 1098293987 /nfs/dbraw/zinc/29/39/87/1098293987.db2.gz NGCLPKDEIVARRF-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454342 1098340858 /nfs/dbraw/zinc/34/08/58/1098340858.db2.gz QUBURXXNJHDFSF-BETUJISGSA-N -1 3 313.319 3.497 20 10 DGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC001178413450 1098827852 /nfs/dbraw/zinc/82/78/52/1098827852.db2.gz RXYCMUNCPZQJDK-SECBINFHSA-N -1 3 309.287 3.229 20 10 DGCDHM Cc1ccc(C(F)(F)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412594 1098828208 /nfs/dbraw/zinc/82/82/08/1098828208.db2.gz AZMPCAPPUDRNJA-UHFFFAOYSA-N -1 3 309.287 3.248 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1CCCC12CC2 ZINC001235297477 1098948179 /nfs/dbraw/zinc/94/81/79/1098948179.db2.gz MMPLDNOEHIKMRE-UHFFFAOYSA-N -1 3 300.171 3.422 20 10 DGCDHM COC(=O)[C@@H](C)N(Cc1cc(Cl)c(C)cc1[O-])C1CCC1 ZINC001180865393 1099516914 /nfs/dbraw/zinc/51/69/14/1099516914.db2.gz JRENYABBBSMAMY-LLVKDONJSA-N -1 3 311.809 3.270 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ccncc3C2)c(Cl)c1 ZINC001236804349 1099796362 /nfs/dbraw/zinc/79/63/62/1099796362.db2.gz UDAZFTLJXABCGP-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@]12CCOC2 ZINC001237085266 1099965413 /nfs/dbraw/zinc/96/54/13/1099965413.db2.gz WZCGOWYURFZBLB-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCc2cccc(O)c2C1 ZINC001237622662 1100191786 /nfs/dbraw/zinc/19/17/86/1100191786.db2.gz WLNXZNCASZASHL-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM Cc1cccc2nc(NC(=O)c3ccc(O)c([O-])c3Cl)[nH]c21 ZINC001193209410 1100717654 /nfs/dbraw/zinc/71/76/54/1100717654.db2.gz JXTXWYUBBNPXFI-UHFFFAOYSA-N -1 3 317.732 3.188 20 10 DGCDHM O=C(NCc1ccccc1O)c1ccc([O-])cc1C(F)(F)F ZINC001193748750 1100805783 /nfs/dbraw/zinc/80/57/83/1100805783.db2.gz TXJRHTCSMMIZID-UHFFFAOYSA-N -1 3 311.259 3.047 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CC[C@@H](O)[C@@H](F)C2)cc1Cl ZINC001248881189 1105185529 /nfs/dbraw/zinc/18/55/29/1105185529.db2.gz SCUUEVDBKVKROZ-UONOGXRCSA-N -1 3 315.816 3.248 20 10 DGCDHM Cc1cc(CN2CCOCC2(C)C)c([O-])cc1Br ZINC001250128363 1105448669 /nfs/dbraw/zinc/44/86/69/1105448669.db2.gz DATUEWAAARFMGI-UHFFFAOYSA-N -1 3 314.223 3.074 20 10 DGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1 ZINC001255081094 1106175177 /nfs/dbraw/zinc/17/51/77/1106175177.db2.gz LPMOVHCBASWTAZ-UHFFFAOYSA-N -1 3 305.399 3.372 20 10 DGCDHM Cc1cc(Cl)ccc1-c1nnc(-c2cc(O)c([O-])c(O)c2)o1 ZINC001255273425 1106213584 /nfs/dbraw/zinc/21/35/84/1106213584.db2.gz QNAZFMNZZSXBPC-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(-c3ccc4c(c3)CCC4)o2)cc1O ZINC001258175483 1106687770 /nfs/dbraw/zinc/68/77/70/1106687770.db2.gz WGDJDYPFSDBEFH-UHFFFAOYSA-N -1 3 310.309 3.009 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc2c(c1)CCCC2 ZINC001260982180 1107332178 /nfs/dbraw/zinc/33/21/78/1107332178.db2.gz VJPMZVQNPTWJDK-UHFFFAOYSA-N -1 3 321.373 3.211 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)c(F)c1 ZINC001321451047 1107351820 /nfs/dbraw/zinc/35/18/20/1107351820.db2.gz VPHQSQNEMXLUIG-QMMMGPOBSA-N -1 3 309.724 3.381 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NCC1CCC2(CC2)CC1 ZINC001313095341 1111694249 /nfs/dbraw/zinc/69/42/49/1111694249.db2.gz WGGQXGINAATYJB-UHFFFAOYSA-N -1 3 306.381 3.301 20 10 DGCDHM COc1ccc(CNCc2c([O-])cccc2Cl)c(OC)c1 ZINC000083552009 192372075 /nfs/dbraw/zinc/37/20/75/192372075.db2.gz QRTFUOVWCVJIQN-UHFFFAOYSA-N -1 3 307.777 3.353 20 10 DGCDHM CC[C@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179512484 432060690 /nfs/dbraw/zinc/06/06/90/432060690.db2.gz HVPNLGVSPKQRCT-OAHLLOKOSA-N -1 3 314.385 3.415 20 10 DGCDHM C[C@@H](N[C@@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469110 296157173 /nfs/dbraw/zinc/15/71/73/296157173.db2.gz FGJVEUUEOGMTHC-MEBBXXQBSA-N -1 3 314.341 3.344 20 10 DGCDHM CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410821 284325099 /nfs/dbraw/zinc/32/50/99/284325099.db2.gz LCSPVNVMRFMKGY-BDAKNGLRSA-N -1 3 319.232 3.216 20 10 DGCDHM C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432600 130120509 /nfs/dbraw/zinc/12/05/09/130120509.db2.gz WCXGFSSMJLHHQC-SVGQVSJJSA-N -1 3 318.122 3.273 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2cc[nH]n2)c1[O-] ZINC000285307520 131156450 /nfs/dbraw/zinc/15/64/50/131156450.db2.gz HWHTVDDHVGXVSP-MRXNPFEDSA-N -1 3 317.364 3.184 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000366659338 131313682 /nfs/dbraw/zinc/31/36/82/131313682.db2.gz XGJIJNXLDZUUSW-QWHCGFSZSA-N -1 3 323.820 3.107 20 10 DGCDHM C/C=C(\C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000269168342 432153278 /nfs/dbraw/zinc/15/32/78/432153278.db2.gz QRSNNQUIMQEPKF-ONNFQVAWSA-N -1 3 312.207 3.469 20 10 DGCDHM CCS[C@H](C)c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000137278623 432175571 /nfs/dbraw/zinc/17/55/71/432175571.db2.gz QJSXUVAARCCHMY-LLVKDONJSA-N -1 3 307.419 3.221 20 10 DGCDHM [O-]c1ccccc1CN(Cc1nccs1)C[C@@H]1CCCO1 ZINC000269735707 432204254 /nfs/dbraw/zinc/20/42/54/432204254.db2.gz ZQVZTIQJOPQATO-AWEZNQCLSA-N -1 3 304.415 3.030 20 10 DGCDHM Cn1cc([C@H](NCc2cc(F)ccc2[O-])c2ccccc2)cn1 ZINC000371811965 229534714 /nfs/dbraw/zinc/53/47/14/229534714.db2.gz YWHZFDGMVDPKQO-GOSISDBHSA-N -1 3 311.360 3.144 20 10 DGCDHM Cc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c(F)c1 ZINC000111235096 431198935 /nfs/dbraw/zinc/19/89/35/431198935.db2.gz MMHPMDKYABSAKN-ZDUSSCGKSA-N -1 3 316.376 3.299 20 10 DGCDHM COCC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000070081434 431239993 /nfs/dbraw/zinc/23/99/93/431239993.db2.gz KVYSDMMGJOTRJF-UHFFFAOYSA-N -1 3 311.809 3.107 20 10 DGCDHM CCCN(Cc1c(C)nn(C)c1Cl)Cc1ccccc1[O-] ZINC000076074369 431524300 /nfs/dbraw/zinc/52/43/00/431524300.db2.gz XSRLHPOBNCPWRQ-UHFFFAOYSA-N -1 3 307.825 3.500 20 10 DGCDHM CC[C@@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182507923 280159257 /nfs/dbraw/zinc/15/92/57/280159257.db2.gz WZLVUUBKTNDEHW-HNNXBMFYSA-N -1 3 313.397 3.500 20 10 DGCDHM COc1ccc([C@@H](CO)N(C)Cc2cccc(Cl)c2[O-])cc1 ZINC000271780362 432424319 /nfs/dbraw/zinc/42/43/19/432424319.db2.gz HPWWRRJIUHZPTC-MRXNPFEDSA-N -1 3 321.804 3.220 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)c([O-])c1O ZINC000185824628 432536768 /nfs/dbraw/zinc/53/67/68/432536768.db2.gz GEVDIUNUQKQSPJ-NSHDSACASA-N -1 3 323.348 3.127 20 10 DGCDHM C[C@H](NCc1cccc(N(C)C)n1)c1cc(Cl)ccc1[O-] ZINC000186179144 432566030 /nfs/dbraw/zinc/56/60/30/432566030.db2.gz WPQVMJFNOWYXJT-NSHDSACASA-N -1 3 305.809 3.357 20 10 DGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000186837338 432633715 /nfs/dbraw/zinc/63/37/15/432633715.db2.gz MGUIFNOJNQLEGI-HNNXBMFYSA-N -1 3 313.353 3.084 20 10 DGCDHM Cc1cccc([C@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])c1C ZINC000277207974 432830435 /nfs/dbraw/zinc/83/04/35/432830435.db2.gz HBPIZMGMBNTNHK-SFHVURJKSA-N -1 3 312.413 3.285 20 10 DGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1CCCC1 ZINC000277323608 432838275 /nfs/dbraw/zinc/83/82/75/432838275.db2.gz MFKVNRCXNMGPDR-UHFFFAOYSA-N -1 3 322.792 3.000 20 10 DGCDHM CCCCN(Cc1nn(CC)nc1C)Cc1ccccc1[O-] ZINC000296686947 432925213 /nfs/dbraw/zinc/92/52/13/432925213.db2.gz HEMDZXSGQNQUSN-UHFFFAOYSA-N -1 3 302.422 3.114 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289814555 432975252 /nfs/dbraw/zinc/97/52/52/432975252.db2.gz SZKVJCCVUWCWCP-ZDUSSCGKSA-N -1 3 323.742 3.325 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289957452 432981658 /nfs/dbraw/zinc/98/16/58/432981658.db2.gz YYYDQEVZSMEBOI-GHMZBOCLSA-N -1 3 323.742 3.038 20 10 DGCDHM COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O ZINC000280524293 433071052 /nfs/dbraw/zinc/07/10/52/433071052.db2.gz GBGQOJUCOFHHPL-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cccnc2)c([O-])c1O ZINC000293898642 433915446 /nfs/dbraw/zinc/91/54/46/433915446.db2.gz RBPAHKXAVPJAGU-INIZCTEOSA-N -1 3 312.369 3.025 20 10 DGCDHM CS[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000295036202 434164973 /nfs/dbraw/zinc/16/49/73/434164973.db2.gz MCJJCDWEZIRYBJ-LLVKDONJSA-N -1 3 302.237 3.092 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccc(F)cc2)CC1 ZINC000366169458 434350392 /nfs/dbraw/zinc/35/03/92/434350392.db2.gz IFXZZNQMUCLLIT-UHFFFAOYSA-N -1 3 315.344 3.257 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(CCCO)CC1 ZINC000293513244 335111208 /nfs/dbraw/zinc/11/12/08/335111208.db2.gz CHRJMJDWBLSAIU-UHFFFAOYSA-N -1 3 301.789 3.169 20 10 DGCDHM CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158042833 518588573 /nfs/dbraw/zinc/58/85/73/518588573.db2.gz LFSBEJPXDCNXII-AWEZNQCLSA-N -1 3 324.852 3.172 20 10 DGCDHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179931198 519504859 /nfs/dbraw/zinc/50/48/59/519504859.db2.gz YYRLBKCNCQUNCQ-ZDUSSCGKSA-N -1 3 324.852 3.030 20 10 DGCDHM CCCN(Cc1cn(C(C)(C)C)nn1)Cc1ccccc1[O-] ZINC000191290054 521691851 /nfs/dbraw/zinc/69/18/51/521691851.db2.gz RJSKHVAMQOERMR-UHFFFAOYSA-N -1 3 302.422 3.151 20 10 DGCDHM CC(C)(C)OC(=O)NC1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272282753 534871118 /nfs/dbraw/zinc/87/11/18/534871118.db2.gz MVUNPIVFCIPFDJ-UHFFFAOYSA-N -1 3 324.396 3.020 20 10 DGCDHM C[C@@H](Nc1ccc(OC2COC2)cc1)c1cc(F)ccc1[O-] ZINC000188645939 525710402 /nfs/dbraw/zinc/71/04/02/525710402.db2.gz VIRIUQPURNYBMB-LLVKDONJSA-N -1 3 303.333 3.482 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000180060194 526349887 /nfs/dbraw/zinc/34/98/87/526349887.db2.gz KAVSDPDXIYSZPH-KRWDZBQOSA-N -1 3 305.324 3.244 20 10 DGCDHM COc1ccc([O-])c(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471236886 536820226 /nfs/dbraw/zinc/82/02/26/536820226.db2.gz XOTUYBQWUSPWTE-UHFFFAOYSA-N -1 3 324.380 3.131 20 10 DGCDHM CCn1cc([C@@H](C)NCc2cc(Br)ccc2[O-])cn1 ZINC000294746560 546423797 /nfs/dbraw/zinc/42/37/97/546423797.db2.gz CSIQLPXVAMERSQ-SNVBAGLBSA-N -1 3 324.222 3.222 20 10 DGCDHM CC(C)c1ccc(OCCNC(=O)c2cc([O-])cs2)cc1 ZINC000731871981 574560668 /nfs/dbraw/zinc/56/06/68/574560668.db2.gz SUMYGVGNNFRPJG-UHFFFAOYSA-N -1 3 305.399 3.386 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCc2cc(Br)ccc21 ZINC000731871400 574560756 /nfs/dbraw/zinc/56/07/56/574560756.db2.gz JRFWJUKPFJYHIG-UHFFFAOYSA-N -1 3 324.199 3.419 20 10 DGCDHM O=C(NCc1ccc(Br)s1)c1cc([O-])cs1 ZINC000731868839 574561413 /nfs/dbraw/zinc/56/14/13/574561413.db2.gz ZJHNNHNMMFVOCR-UHFFFAOYSA-N -1 3 318.217 3.208 20 10 DGCDHM COc1ccc([C@@H](NC(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000731868714 574561483 /nfs/dbraw/zinc/56/14/83/574561483.db2.gz QSYXLHCTOGLFES-HNNXBMFYSA-N -1 3 303.383 3.343 20 10 DGCDHM CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000731910652 574561809 /nfs/dbraw/zinc/56/18/09/574561809.db2.gz VDIWTVNOQHKLOO-JTQLQIEISA-N -1 3 304.367 3.444 20 10 DGCDHM CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000731910963 574561841 /nfs/dbraw/zinc/56/18/41/574561841.db2.gz XPOUBOYAWJDTNW-SNVBAGLBSA-N -1 3 319.382 3.200 20 10 DGCDHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)c(C)c1 ZINC000731909652 574561971 /nfs/dbraw/zinc/56/19/71/574561971.db2.gz HTZCVCZMFJJIMP-NSHDSACASA-N -1 3 319.382 3.255 20 10 DGCDHM CN(Cc1cnc(-c2ccccc2)nc1)Cc1ccccc1[O-] ZINC000732202691 574567725 /nfs/dbraw/zinc/56/77/25/574567725.db2.gz CLEGOPZHZHOKHE-UHFFFAOYSA-N -1 3 305.381 3.481 20 10 DGCDHM CC(C)OCc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000732267775 574569533 /nfs/dbraw/zinc/56/95/33/574569533.db2.gz VNDWTYDOWWGYMB-UHFFFAOYSA-N -1 3 305.399 3.309 20 10 DGCDHM CCN(Cc1ccc(OC)cc1OC)C(=O)c1cc([O-])cs1 ZINC000732268283 574569624 /nfs/dbraw/zinc/56/96/24/574569624.db2.gz FXHGRALLCQFLQA-UHFFFAOYSA-N -1 3 321.398 3.133 20 10 DGCDHM COc1cc(C)c([C@@H](C)NC(=O)c2cc([O-])cs2)cc1OC ZINC000732269616 574569712 /nfs/dbraw/zinc/56/97/12/574569712.db2.gz GKRMNNAKBFYUIN-SNVBAGLBSA-N -1 3 321.398 3.270 20 10 DGCDHM CCN(CC)c1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732273023 574570011 /nfs/dbraw/zinc/57/00/11/574570011.db2.gz ILUSJQSPPNATHZ-UHFFFAOYSA-N -1 3 304.415 3.230 20 10 DGCDHM Cc1ccc2c(CCNC(=O)c3cc([O-])cs3)c[nH]c2c1 ZINC000732281601 574570469 /nfs/dbraw/zinc/57/04/69/574570469.db2.gz SBWWKJZRBXVYSG-UHFFFAOYSA-N -1 3 300.383 3.216 20 10 DGCDHM CO[C@H](CNCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000733329603 574616662 /nfs/dbraw/zinc/61/66/62/574616662.db2.gz WEHSDGUGMGBBFK-SECBINFHSA-N -1 3 318.122 3.366 20 10 DGCDHM O=C(Nc1ccc(N2CCSCC2)cc1)c1cc([O-])cs1 ZINC000743502426 575054764 /nfs/dbraw/zinc/05/47/64/575054764.db2.gz AJGPXWLKZNVKHS-UHFFFAOYSA-N -1 3 320.439 3.259 20 10 DGCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000729534771 575254666 /nfs/dbraw/zinc/25/46/66/575254666.db2.gz CVQFAVRGBRWEBJ-GFCCVEGCSA-N -1 3 315.369 3.214 20 10 DGCDHM CCc1ccc([O-])c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000748842031 575610808 /nfs/dbraw/zinc/61/08/08/575610808.db2.gz VBQRBTAQSDFELO-UHFFFAOYSA-N -1 3 316.376 3.090 20 10 DGCDHM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1cc([O-])cs1 ZINC000751070249 575770151 /nfs/dbraw/zinc/77/01/51/575770151.db2.gz RCLTUXSXSNSSSS-NSHDSACASA-N -1 3 322.817 3.116 20 10 DGCDHM CO[C@H](C)c1nc(CNCc2cc(Cl)ccc2[O-])cs1 ZINC000752266466 575829753 /nfs/dbraw/zinc/82/97/53/575829753.db2.gz QTOBWPQFSXGUOZ-SECBINFHSA-N -1 3 312.822 3.499 20 10 DGCDHM COc1ccc(CNCc2cc(Cl)ccc2[O-])cc1[N+](=O)[O-] ZINC000725848856 575929880 /nfs/dbraw/zinc/92/98/80/575929880.db2.gz AAAHFEDXSCBHID-UHFFFAOYSA-N -1 3 322.748 3.252 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3ccon3)CC2)c1[O-] ZINC000852672532 620639458 /nfs/dbraw/zinc/63/94/58/620639458.db2.gz FPGYZAUPNPJHKO-UHFFFAOYSA-N -1 3 318.348 3.102 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@@H](C)[S@]1=O ZINC000840948245 618620945 /nfs/dbraw/zinc/62/09/45/618620945.db2.gz NKFWKVFMQUHATD-FKANQGBASA-N -1 3 315.866 3.085 20 10 DGCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(F)cc(F)c1[O-] ZINC000893900365 618671959 /nfs/dbraw/zinc/67/19/59/618671959.db2.gz FLBUDBLRJHGKFT-UHFFFAOYSA-N -1 3 321.323 3.074 20 10 DGCDHM CN(Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1[O-] ZINC000893912118 618674940 /nfs/dbraw/zinc/67/49/40/618674940.db2.gz RUZAIVVVRSMEDA-UHFFFAOYSA-N -1 3 307.296 3.031 20 10 DGCDHM Cn1cc(CNCc2c([O-])cccc2F)c(C2CCCC2)n1 ZINC000896641558 618940303 /nfs/dbraw/zinc/94/03/03/618940303.db2.gz MLQPHQSEHMJNEZ-UHFFFAOYSA-N -1 3 303.381 3.212 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccn(C2CCCCC2)n1 ZINC000928707590 619059555 /nfs/dbraw/zinc/05/95/55/619059555.db2.gz FVRJAZBNZXXAFP-UHFFFAOYSA-N -1 3 317.364 3.163 20 10 DGCDHM CC(C)Oc1cccc(CC(=O)NCc2c([O-])cccc2F)c1 ZINC000928712630 619060431 /nfs/dbraw/zinc/06/04/31/619060431.db2.gz UVSHMHFCGNBRDM-UHFFFAOYSA-N -1 3 317.360 3.177 20 10 DGCDHM CC[C@@H](NCc1cc(C2CC2)n(C)n1)c1ccc(F)cc1[O-] ZINC000927108665 619266624 /nfs/dbraw/zinc/26/66/24/619266624.db2.gz SGFGZFNMMYTNOP-OAHLLOKOSA-N -1 3 303.381 3.383 20 10 DGCDHM O=C(NCCCOC1CCCCC1)NCc1c([O-])cccc1F ZINC000913940467 620494129 /nfs/dbraw/zinc/49/41/29/620494129.db2.gz DNXHGSINYLPXQD-UHFFFAOYSA-N -1 3 324.396 3.070 20 10 DGCDHM C[C@@H](Cc1cccs1)NC(=O)NCc1c([O-])cccc1F ZINC000914105000 620505136 /nfs/dbraw/zinc/50/51/36/620505136.db2.gz QKSJIFCQHCHDHK-JTQLQIEISA-N -1 3 308.378 3.023 20 10 DGCDHM CC(C)OC1CCC(NC(=O)NCc2c([O-])cccc2F)CC1 ZINC000921606546 620913013 /nfs/dbraw/zinc/91/30/13/620913013.db2.gz QBVNGJQFJSXFOR-UHFFFAOYSA-N -1 3 324.396 3.067 20 10 DGCDHM C[C@H](NCc1cn2ccccc2n1)c1cc(F)cc(F)c1[O-] ZINC000756362155 621631249 /nfs/dbraw/zinc/63/12/49/621631249.db2.gz IXLUGNBZZYUINA-JTQLQIEISA-N -1 3 303.312 3.169 20 10 DGCDHM CCc1nc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000756556963 621648425 /nfs/dbraw/zinc/64/84/25/621648425.db2.gz YPJLKKDNNBHVBJ-JTQLQIEISA-N -1 3 320.414 3.049 20 10 DGCDHM Cc1cccc2nc(CN[C@@H](C)c3cc(F)cc(F)c3[O-])cn21 ZINC000756565719 621649617 /nfs/dbraw/zinc/64/96/17/621649617.db2.gz YMXKUHGAQYAEQK-NSHDSACASA-N -1 3 317.339 3.477 20 10 DGCDHM C[C@@H](NCc1cccc2c1OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756703098 621659108 /nfs/dbraw/zinc/65/91/08/621659108.db2.gz FINVJJVOCOHRLK-SNVBAGLBSA-N -1 3 321.323 3.292 20 10 DGCDHM CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000757865409 621743780 /nfs/dbraw/zinc/74/37/80/621743780.db2.gz GBWWKERSEQOXHU-OCCSQVGLSA-N -1 3 315.816 3.414 20 10 DGCDHM CC(C)(C)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000757865387 621743904 /nfs/dbraw/zinc/74/39/04/621743904.db2.gz GBWWKERSEQOXHU-GXTWGEPZSA-N -1 3 315.816 3.414 20 10 DGCDHM Cn1c2ccccc2nc1CNCc1cccc(Cl)c1[O-] ZINC000761222849 621995483 /nfs/dbraw/zinc/99/54/83/621995483.db2.gz SJQHALZREPOLLY-UHFFFAOYSA-N -1 3 301.777 3.222 20 10 DGCDHM CN(Cc1ccc(F)c(Cl)c1)C(=O)c1cccc(O)c1[O-] ZINC000762376032 622071815 /nfs/dbraw/zinc/07/18/15/622071815.db2.gz QNSAEOZRCMUHAJ-UHFFFAOYSA-N -1 3 309.724 3.163 20 10 DGCDHM CC[C@H](NCc1nn(C)cc1C(F)F)c1ccc(F)cc1[O-] ZINC000866567148 622140056 /nfs/dbraw/zinc/14/00/56/622140056.db2.gz JUAUYDSQPPRVTJ-LBPRGKRZSA-N -1 3 313.323 3.443 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)S1 ZINC000769140201 622501428 /nfs/dbraw/zinc/50/14/28/622501428.db2.gz DNVCAWIFGXNUTC-DTORHVGOSA-N -1 3 316.810 3.280 20 10 DGCDHM Cc1cnc(N2CCN(Cc3c([O-])cccc3Cl)CC2)s1 ZINC000769456304 622529272 /nfs/dbraw/zinc/52/92/72/622529272.db2.gz ISVVXNXXFIKMOT-UHFFFAOYSA-N -1 3 323.849 3.133 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)CCN1CC(F)F ZINC000769513378 622536423 /nfs/dbraw/zinc/53/64/23/622536423.db2.gz BYKQHVDIOKHZLS-LLVKDONJSA-N -1 3 318.795 3.207 20 10 DGCDHM CCC1(CC)CN(Cc2c([O-])cccc2Cl)CC[S@@]1=O ZINC000769558118 622540845 /nfs/dbraw/zinc/54/08/45/622540845.db2.gz SMPCPCJRHRHNTJ-FQEVSTJZSA-N -1 3 315.866 3.169 20 10 DGCDHM Cn1c2ccccc2nc1C(C)(C)NCc1cccc(F)c1[O-] ZINC000770666455 622658668 /nfs/dbraw/zinc/65/86/68/622658668.db2.gz WMAIKHXJLSUALB-UHFFFAOYSA-N -1 3 313.376 3.443 20 10 DGCDHM Nc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000873220335 623079169 /nfs/dbraw/zinc/07/91/69/623079169.db2.gz RYANIGNVPLUOKY-UHFFFAOYSA-N -1 3 304.777 3.022 20 10 DGCDHM COc1c([O-])c(CNc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000774937353 623209403 /nfs/dbraw/zinc/20/94/03/623209403.db2.gz YCPDZBMVXIKVFE-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000775054996 623222346 /nfs/dbraw/zinc/22/23/46/623222346.db2.gz FFXNTZFRLSMARU-UHFFFAOYSA-N -1 3 302.330 3.336 20 10 DGCDHM Cc1ccnc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)c1 ZINC000775658221 623306560 /nfs/dbraw/zinc/30/65/60/623306560.db2.gz HQXQXBXIRJSYRG-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc(Cl)c1[O-] ZINC000775720271 623318098 /nfs/dbraw/zinc/31/80/98/623318098.db2.gz KPMKHXMBXUQURR-CABCVRRESA-N -1 3 324.852 3.267 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)CN1C ZINC000775987674 623360902 /nfs/dbraw/zinc/36/09/02/623360902.db2.gz VZQRUYNTGBPJGI-ZJUUUORDSA-N -1 3 303.233 3.223 20 10 DGCDHM O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000776351189 623414864 /nfs/dbraw/zinc/41/48/64/623414864.db2.gz UXLHSLSCYJCCSA-GDBMZVCRSA-N -1 3 311.381 3.239 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1O ZINC000776747340 623459134 /nfs/dbraw/zinc/45/91/34/623459134.db2.gz BOTQSZQOYGEGLJ-UHFFFAOYSA-N -1 3 314.366 3.050 20 10 DGCDHM CCCN(Cc1ccccc1F)C(=O)c1cccc(O)c1[O-] ZINC000790523780 625664697 /nfs/dbraw/zinc/66/46/97/625664697.db2.gz XOGFWSYHCOLBFI-UHFFFAOYSA-N -1 3 303.333 3.289 20 10 DGCDHM Cc1nn(C)cc1[C@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876805892 623711374 /nfs/dbraw/zinc/71/13/74/623711374.db2.gz HOHZUFHHBZAHPN-CQSZACIVSA-N -1 3 307.344 3.049 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC000779148224 623735461 /nfs/dbraw/zinc/73/54/61/623735461.db2.gz GYBCNLOWEXVILV-SKDRFNHKSA-N -1 3 302.187 3.335 20 10 DGCDHM COC(=O)Cc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000779595492 623780463 /nfs/dbraw/zinc/78/04/63/623780463.db2.gz AIBHQVKYQVPYNN-UHFFFAOYSA-N -1 3 305.761 3.373 20 10 DGCDHM COCC[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccc(C)o1 ZINC000877166977 623814164 /nfs/dbraw/zinc/81/41/64/623814164.db2.gz KABUPYRKUJJEFO-CYBMUJFWSA-N -1 3 311.328 3.439 20 10 DGCDHM CCOc1ccccc1[C@@H](CC)NC(=O)c1cccc(O)c1[O-] ZINC000790621368 625678594 /nfs/dbraw/zinc/67/85/94/625678594.db2.gz ODELKQSHWSJGNC-CQSZACIVSA-N -1 3 315.369 3.378 20 10 DGCDHM CCn1cc(CN(Cc2ccc(F)c(F)c2[O-])C(C)C)cn1 ZINC000877612324 623961980 /nfs/dbraw/zinc/96/19/80/623961980.db2.gz HQRQGXWRDIDXDH-UHFFFAOYSA-N -1 3 309.360 3.297 20 10 DGCDHM CC[C@](NCc1cc(F)ccc1[O-])(C(=O)OC)c1ccccc1 ZINC000877676581 623988442 /nfs/dbraw/zinc/98/84/42/623988442.db2.gz YRCBZWZTGBSTGI-GOSISDBHSA-N -1 3 317.360 3.099 20 10 DGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccccc1OC ZINC000780917438 623997996 /nfs/dbraw/zinc/99/79/96/623997996.db2.gz IEWWLWRSZNUQTR-UHFFFAOYSA-N -1 3 301.342 3.082 20 10 DGCDHM Cc1cc(Br)c([O-])c(CNc2nc(C3CC3)no2)c1 ZINC000781559999 624093013 /nfs/dbraw/zinc/09/30/13/624093013.db2.gz NGRKQNWDFDDDMS-UHFFFAOYSA-N -1 3 324.178 3.336 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCCO[C@@H](C)C2)c1 ZINC000781907425 624169159 /nfs/dbraw/zinc/16/91/59/624169159.db2.gz HYFUXQBGGWAOJH-NSHDSACASA-N -1 3 314.223 3.074 20 10 DGCDHM Cc1cc([C@@H](NC(=O)c2cccc(O)c2[O-])C2CC2)ccc1F ZINC000790906365 625714458 /nfs/dbraw/zinc/71/44/58/625714458.db2.gz YVZFKJMFYVWTMG-INIZCTEOSA-N -1 3 315.344 3.426 20 10 DGCDHM O=C(NCC1(c2ccccc2Cl)CC1)c1cccc(O)c1[O-] ZINC000790908499 625714712 /nfs/dbraw/zinc/71/47/12/625714712.db2.gz PBSJBIUNBORNBX-UHFFFAOYSA-N -1 3 317.772 3.213 20 10 DGCDHM Cc1nnc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])s1 ZINC000788736532 625254676 /nfs/dbraw/zinc/25/46/76/625254676.db2.gz VMCSFUDHXKPVOJ-ZETCQYMHSA-N -1 3 317.336 3.422 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CO)c1cccc(F)c1 ZINC000790966351 625724239 /nfs/dbraw/zinc/72/42/39/625724239.db2.gz MAYXATSVLADYLR-CYBMUJFWSA-N -1 3 313.731 3.147 20 10 DGCDHM Cc1ccsc1[C@@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000790972823 625727197 /nfs/dbraw/zinc/72/71/97/625727197.db2.gz HVKHNRGKVQZMEG-LLVKDONJSA-N -1 3 315.797 3.378 20 10 DGCDHM CC[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130348 626700589 /nfs/dbraw/zinc/70/05/89/626700589.db2.gz WDEVCWNFCRQYPH-CABCVRRESA-N -1 3 318.804 3.313 20 10 DGCDHM O=c1cc(C=Cc2ccc(N3CCOCC3)cc2)nc(C2CC2)[n-]1 ZINC000806563860 626721600 /nfs/dbraw/zinc/72/16/00/626721600.db2.gz BLAKWVQROICZKR-BHQIHCQQSA-N -1 3 323.396 3.067 20 10 DGCDHM C[C@@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827315 627103868 /nfs/dbraw/zinc/10/38/68/627103868.db2.gz XHGLWRRKEDDJNA-ZJUUUORDSA-N -1 3 304.217 3.292 20 10 DGCDHM COCCOc1ccccc1CN[C@H](C)c1c([O-])cccc1F ZINC000886508687 627154704 /nfs/dbraw/zinc/15/47/04/627154704.db2.gz KWDGXNDQSIGYDR-CYBMUJFWSA-N -1 3 319.376 3.407 20 10 DGCDHM CNC(=O)C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605045 627171585 /nfs/dbraw/zinc/17/15/85/627171585.db2.gz IMSYXFMRRGDFEJ-WFASDCNBSA-N -1 3 316.376 3.059 20 10 DGCDHM C[C@@H](N[C@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630308 627176729 /nfs/dbraw/zinc/17/67/29/627176729.db2.gz ZNLQOIUMQPZPQV-IAQYHMDHSA-N -1 3 307.340 3.445 20 10 DGCDHM COc1cccc(OC)c1CN[C@H](C)c1c([O-])cccc1F ZINC000886636150 627177954 /nfs/dbraw/zinc/17/79/54/627177954.db2.gz GSPQTJHVBQPGPP-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM COCCN(Cc1ccco1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816490008 627795979 /nfs/dbraw/zinc/79/59/79/627795979.db2.gz JLHFAYQZWKHWOZ-UHFFFAOYSA-N -1 3 313.756 3.426 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNc1cnccc1-n1cccn1 ZINC000816560117 627808228 /nfs/dbraw/zinc/80/82/28/627808228.db2.gz FCKNOAIVHKFKCU-UHFFFAOYSA-N -1 3 318.739 3.378 20 10 DGCDHM CC1(C)CCc2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC000817628918 627931042 /nfs/dbraw/zinc/93/10/42/627931042.db2.gz DIXPTKNJNOFTEE-UHFFFAOYSA-N -1 3 304.371 3.030 20 10 DGCDHM C[C@H](N[C@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927063232 628005611 /nfs/dbraw/zinc/00/56/11/628005611.db2.gz ABXLOVQLQHPAQQ-NHYWBVRUSA-N -1 3 313.357 3.424 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000928710248 628179930 /nfs/dbraw/zinc/17/99/30/628179930.db2.gz RGKMHVPTSSFTFE-KBPBESRZSA-N -1 3 317.335 3.480 20 10 DGCDHM O=C(CC[C@@H]1CC1(Cl)Cl)NCc1c([O-])cccc1F ZINC000928709759 628180031 /nfs/dbraw/zinc/18/00/31/628180031.db2.gz FRDQBDSTNOPFHR-MRVPVSSYSA-N -1 3 306.164 3.122 20 10 DGCDHM Cc1nc(CC2CC2)sc1C(=O)NCc1c([O-])cccc1F ZINC000928707611 628180230 /nfs/dbraw/zinc/18/02/30/628180230.db2.gz GFEBJIGRIFLILI-UHFFFAOYSA-N -1 3 320.389 3.179 20 10 DGCDHM C[C@H]1COC(C)(C)CN1Cc1ccc(Br)cc1[O-] ZINC000825692032 628786477 /nfs/dbraw/zinc/78/64/77/628786477.db2.gz FOKUNBFXUBHHQV-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM Cn1ncc(C2CC2)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000827251301 628941734 /nfs/dbraw/zinc/94/17/34/628941734.db2.gz GBPMRZVDUHFGOO-UHFFFAOYSA-N -1 3 309.772 3.085 20 10 DGCDHM Nc1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c([O-])c1 ZINC000827593559 628975014 /nfs/dbraw/zinc/97/50/14/628975014.db2.gz DNAROGDUZKBPRT-UHFFFAOYSA-N -1 3 311.385 3.217 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@]1(C)CO ZINC000827699460 628983871 /nfs/dbraw/zinc/98/38/71/628983871.db2.gz HQHNBKZJAYBOKB-YMTOWFKASA-N -1 3 304.217 3.149 20 10 DGCDHM Cc1cc([O-])c(CNCc2nccc(C(F)F)n2)c(Cl)c1 ZINC000840945701 630381888 /nfs/dbraw/zinc/38/18/88/630381888.db2.gz VSIIAYUEAVSAOG-UHFFFAOYSA-N -1 3 313.735 3.371 20 10 DGCDHM C[C@@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000846317042 631226351 /nfs/dbraw/zinc/22/63/51/631226351.db2.gz GHPGIGMMFPWBSY-GOSISDBHSA-N -1 3 315.344 3.041 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000185350567 660217476 /nfs/dbraw/zinc/21/74/76/660217476.db2.gz YXQFBZDFCINDKU-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM C[C@@H](Nc1cnn(Cc2ccncc2)c1)c1ccc(F)cc1[O-] ZINC000186389425 660379903 /nfs/dbraw/zinc/37/99/03/660379903.db2.gz DNPLCUDNNAPTOJ-GFCCVEGCSA-N -1 3 312.348 3.344 20 10 DGCDHM Cc1ccncc1CN(C)Cc1cccc(Br)c1[O-] ZINC000793335817 661025139 /nfs/dbraw/zinc/02/51/39/661025139.db2.gz HZYKZSAEWJMLTI-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM COc1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c([O-])c1 ZINC000793387294 661029369 /nfs/dbraw/zinc/02/93/69/661029369.db2.gz CAGLYIZMQPNBJI-UHFFFAOYSA-N -1 3 311.740 3.189 20 10 DGCDHM O=C(N[C@@H]1CCCc2ccc(F)cc21)c1cccc(O)c1[O-] ZINC000794055001 661066454 /nfs/dbraw/zinc/06/64/54/661066454.db2.gz AUJYYNGIEILYGZ-CQSZACIVSA-N -1 3 301.317 3.044 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2CCO3)c1 ZINC000794832562 661108226 /nfs/dbraw/zinc/10/82/26/661108226.db2.gz ACUXMTSXTUYGOD-NSHDSACASA-N -1 3 313.353 3.287 20 10 DGCDHM CCc1nc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2o1 ZINC000177673687 655939687 /nfs/dbraw/zinc/93/96/87/655939687.db2.gz PEVZPPVBUHWBSE-UHFFFAOYSA-N -1 3 312.325 3.362 20 10 DGCDHM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cccc(O)c1[O-] ZINC000186981314 656134506 /nfs/dbraw/zinc/13/45/06/656134506.db2.gz MRCDUBQPUCRLEW-UHFFFAOYSA-N -1 3 316.332 3.089 20 10 DGCDHM COc1cccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000320696619 657393485 /nfs/dbraw/zinc/39/34/85/657393485.db2.gz FINIECHKDMZCGQ-UHFFFAOYSA-N -1 3 317.360 3.375 20 10 DGCDHM Cc1ccc(C(=O)N2CCc3ccc(Cl)cc32)c([O-])c1O ZINC000179534013 659932526 /nfs/dbraw/zinc/93/25/26/659932526.db2.gz NLDQLXXLECEGPU-UHFFFAOYSA-N -1 3 303.745 3.263 20 10 DGCDHM Cc1ccc(C(=O)N2CCCc3cc(F)ccc32)c([O-])c1O ZINC000182124088 660034742 /nfs/dbraw/zinc/03/47/42/660034742.db2.gz RHRSDHJRSCMXOW-UHFFFAOYSA-N -1 3 301.317 3.138 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc3scnc3c2)c([O-])c1O ZINC000182286497 660041159 /nfs/dbraw/zinc/04/11/59/660041159.db2.gz KXBWKXFNXRTIQD-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM CCOC1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000040689703 661832367 /nfs/dbraw/zinc/83/23/67/661832367.db2.gz QCOIGWVMFJLBON-UHFFFAOYSA-N -1 3 311.809 3.249 20 10 DGCDHM CC(C)OCc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000192990825 662119733 /nfs/dbraw/zinc/11/97/33/662119733.db2.gz AJJAWEHQBPMJCK-UHFFFAOYSA-N -1 3 301.342 3.275 20 10 DGCDHM CCC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000093508408 662356071 /nfs/dbraw/zinc/35/60/71/662356071.db2.gz GJDZUQVPRQACDP-CYBMUJFWSA-N -1 3 314.223 3.156 20 10 DGCDHM C[C@@H](N1CCN(Cc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000093883013 662360940 /nfs/dbraw/zinc/36/09/40/662360940.db2.gz ZQNGFRFNVRDGRJ-SNVBAGLBSA-N -1 3 322.758 3.114 20 10 DGCDHM Clc1cnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001581745539 1192075163 /nfs/dbraw/zinc/07/51/63/1192075163.db2.gz IPMVWJBRJVMKTF-UHFFFAOYSA-N -1 3 309.807 3.269 20 10 DGCDHM Clc1cnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001581745539 1192075165 /nfs/dbraw/zinc/07/51/65/1192075165.db2.gz IPMVWJBRJVMKTF-UHFFFAOYSA-N -1 3 309.807 3.269 20 10 DGCDHM CC(C)c1nnc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC001620890203 1192558119 /nfs/dbraw/zinc/55/81/19/1192558119.db2.gz CAKNCUSVMJNJPS-QMMMGPOBSA-N -1 3 312.776 3.277 20 10 DGCDHM CC(C)c1nc([C@H](C)NCc2cc(Cl)cc(F)c2[O-])n[nH]1 ZINC001620890203 1192558123 /nfs/dbraw/zinc/55/81/23/1192558123.db2.gz CAKNCUSVMJNJPS-QMMMGPOBSA-N -1 3 312.776 3.277 20 10 DGCDHM C/C(=C/C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001596913449 1192711233 /nfs/dbraw/zinc/71/12/33/1192711233.db2.gz YWFLCLSVIDDAPV-LUAWRHEFSA-N -1 3 303.308 3.390 20 10 DGCDHM CN(C)c1cc(NC(=O)c2cccc(O)c2[O-])ccc1Cl ZINC001596978358 1192714188 /nfs/dbraw/zinc/71/41/88/1192714188.db2.gz NZISBGUQIFIKOX-UHFFFAOYSA-N -1 3 306.749 3.070 20 10 DGCDHM Cc1ccc(C[NH2+][C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001600419871 1192850655 /nfs/dbraw/zinc/85/06/55/1192850655.db2.gz QLTGRVVSDVALJB-RHSMWYFYSA-N -1 3 313.397 3.122 20 10 DGCDHM Cc1cccc(OCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001600546270 1192872156 /nfs/dbraw/zinc/87/21/56/1192872156.db2.gz DHFBXZLTEOLGQI-ZDUSSCGKSA-N -1 3 315.369 3.128 20 10 DGCDHM CC1(C)CC[C@H](CO)N(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001653016549 1195680705 /nfs/dbraw/zinc/68/07/05/1195680705.db2.gz BMAJGBZCVIYOHM-SNVBAGLBSA-N -1 3 301.789 3.168 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCN2CCOc3cccc1c32 ZINC001462071855 1182905152 /nfs/dbraw/zinc/90/51/52/1182905152.db2.gz ZYKJNPLDUPSKCY-UHFFFAOYSA-N -1 3 316.788 3.265 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC001462459716 1182955118 /nfs/dbraw/zinc/95/51/18/1182955118.db2.gz CJVYXSALWONJHQ-UHFFFAOYSA-N -1 3 309.356 3.061 20 10 DGCDHM C[C@@]1(C(=O)NCc2c([O-])cccc2F)CCc2ccccc2C1 ZINC001471975824 1183604378 /nfs/dbraw/zinc/60/43/78/1183604378.db2.gz ISGSCAAHPJGAPY-LJQANCHMSA-N -1 3 313.372 3.343 20 10 DGCDHM COc1ccc2c(c1)N(Cc1cc(F)c(F)cc1[O-])C[C@H](C)O2 ZINC001474467219 1183926741 /nfs/dbraw/zinc/92/67/41/1183926741.db2.gz RSMKGPLGSWPGDK-JTQLQIEISA-N -1 3 321.323 3.467 20 10 DGCDHM CC(=O)c1cc(C(=O)[N-]c2c3nonc3ccc2Cl)cs1 ZINC001525082000 1187295675 /nfs/dbraw/zinc/29/56/75/1187295675.db2.gz XFOWKPCAWBEPKF-UHFFFAOYSA-N -1 3 321.745 3.393 20 10 DGCDHM O=C(NCCCCCc1ccc(F)cc1)c1cccc(O)c1[O-] ZINC001617006895 1193554985 /nfs/dbraw/zinc/55/49/85/1193554985.db2.gz CICHJDRKSCSWFZ-UHFFFAOYSA-N -1 3 317.360 3.380 20 10 DGCDHM CCNc1ccc(C)cc1C(=O)NCc1c([O-])cccc1F ZINC001558455091 1189126342 /nfs/dbraw/zinc/12/63/42/1189126342.db2.gz NQQARQUIMKEKBJ-UHFFFAOYSA-N -1 3 302.349 3.202 20 10 DGCDHM C[S@@](=O)(=NC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC001558773873 1189147742 /nfs/dbraw/zinc/14/77/42/1189147742.db2.gz BENOOFGCUSXZCG-IBGZPJMESA-N -1 3 315.803 3.404 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](C(C)(C)C)CC2)c1[O-] ZINC001560235383 1189295434 /nfs/dbraw/zinc/29/54/34/1189295434.db2.gz JBQMJPSGLPJIAY-INIZCTEOSA-N -1 3 323.408 3.371 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2cccs2)CC1 ZINC001560725684 1189369548 /nfs/dbraw/zinc/36/95/48/1189369548.db2.gz MJHGTJYUHFLPOZ-UHFFFAOYSA-N -1 3 324.396 3.050 20 10 DGCDHM Cc1cc(NC(=O)C2=S=CC([O-])=C2)ccc1-c1ccncc1 ZINC001569818775 1190758956 /nfs/dbraw/zinc/75/89/56/1190758956.db2.gz WTCVDAKKFXSIJT-UHFFFAOYSA-N -1 3 310.378 3.159 20 10 DGCDHM COc1c(C)cc(Cl)cc1NC(=O)c1cccc(O)c1[O-] ZINC001629721897 1194249131 /nfs/dbraw/zinc/24/91/31/1194249131.db2.gz YQHXZJJIMMMYPI-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM Cc1cc(CC(=O)Nc2ncccc2[O-])c(C)n1-c1ccccc1 ZINC001633847703 1194459476 /nfs/dbraw/zinc/45/94/76/1194459476.db2.gz BYJWDVMEENYJSS-UHFFFAOYSA-N -1 3 321.380 3.376 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC001634725106 1194511582 /nfs/dbraw/zinc/51/15/82/1194511582.db2.gz NWQRQMZRXCLPKL-WFASDCNBSA-N -1 3 318.323 3.026 20 10 DGCDHM CCCSc1cccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC001635251749 1194540750 /nfs/dbraw/zinc/54/07/50/1194540750.db2.gz YPIOOZJDZCKOQP-UHFFFAOYSA-N -1 3 304.371 3.247 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C(F)(F)Cc1ccccc1 ZINC001635367105 1194547250 /nfs/dbraw/zinc/54/72/50/1194547250.db2.gz ZBUHPWLXELTYDH-UHFFFAOYSA-N -1 3 309.287 3.026 20 10 DGCDHM Cc1ccc(-n2ccc(NC(=O)c3ccc(C)c(O)c3[O-])n2)cc1 ZINC001639542917 1194770682 /nfs/dbraw/zinc/77/06/82/1194770682.db2.gz QNGLQSIJIZARBT-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM Cc1cc(CC(=O)[N-]OC/C=C/Cl)c(C)n1-c1ccccc1 ZINC001642038188 1194885031 /nfs/dbraw/zinc/88/50/31/1194885031.db2.gz RCIGYLARVJJSEF-RMKNXTFCSA-N -1 3 318.804 3.437 20 10 DGCDHM O=C(CCc1ccc(Cl)s1)NCc1c([O-])cccc1F ZINC001645048391 1195152254 /nfs/dbraw/zinc/15/22/54/1195152254.db2.gz UKMDABWKWGUFMM-UHFFFAOYSA-N -1 3 313.781 3.495 20 10 DGCDHM O=C(CCc1cccc(Cl)c1)NCc1c([O-])cccc1F ZINC001646029418 1195211952 /nfs/dbraw/zinc/21/19/52/1195211952.db2.gz XVBGBQFBDIBHKO-UHFFFAOYSA-N -1 3 307.752 3.434 20 10 DGCDHM C/C(=C/c1ccc(F)cc1)C(=O)NCc1c([O-])cccc1F ZINC001652298400 1195576381 /nfs/dbraw/zinc/57/63/81/1195576381.db2.gz JOPDFNLUQDFQHK-LUAWRHEFSA-N -1 3 303.308 3.390 20 10 DGCDHM Cc1cccc([O-])c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001652709228 1195639534 /nfs/dbraw/zinc/63/95/34/1195639534.db2.gz WNWDTSCSRCYQSX-UHFFFAOYSA-N -1 3 307.349 3.489 20 10 DGCDHM COC(=O)c1ccc(CNCc2cccc(Cl)c2[O-])c(F)c1 ZINC001657116661 1196107779 /nfs/dbraw/zinc/10/77/79/1196107779.db2.gz WDGSEAPNLUVQAN-UHFFFAOYSA-N -1 3 323.751 3.261 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(F)c(F)c1F ZINC001657575645 1196156422 /nfs/dbraw/zinc/15/64/22/1196156422.db2.gz NEZXBNGTCNWGHO-UHFFFAOYSA-N -1 3 314.238 3.270 20 10 DGCDHM CC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1c(C)noc1C ZINC001657594499 1196157689 /nfs/dbraw/zinc/15/76/89/1196157689.db2.gz WFIAAAWGFSDERQ-ZDUSSCGKSA-N -1 3 305.334 3.146 20 10 DGCDHM COCCN(Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001657620948 1196162202 /nfs/dbraw/zinc/16/22/02/1196162202.db2.gz ZHTOVQNXMYYWCC-UHFFFAOYSA-N -1 3 307.340 3.319 20 10 DGCDHM COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001657860224 1196187204 /nfs/dbraw/zinc/18/72/04/1196187204.db2.gz NIQLDBJPQURTRI-IINYFYTJSA-N -1 3 311.809 3.128 20 10 DGCDHM C[C@H](NCc1cc(F)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001659956250 1196432302 /nfs/dbraw/zinc/43/23/02/1196432302.db2.gz HFMMZHLGAVDGOW-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1ccnn1[C@@H]1CCCOC1 ZINC001660160053 1196453026 /nfs/dbraw/zinc/45/30/26/1196453026.db2.gz UIDWFFSNQCXNDW-CYBMUJFWSA-N -1 3 307.781 3.206 20 10 DGCDHM Cc1cc([O-])c(CN2CCOc3ccc(O)cc3C2)cc1Cl ZINC001660335055 1196472288 /nfs/dbraw/zinc/47/22/88/1196472288.db2.gz TYEQJOFEOZOUCO-UHFFFAOYSA-N -1 3 319.788 3.454 20 10 DGCDHM Cn1ccnc1[C@@H]1N(Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001664780471 1197056291 /nfs/dbraw/zinc/05/62/91/1197056291.db2.gz DWQCRSFJNLNWFR-AWEZNQCLSA-N -1 3 305.809 3.362 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2ncsc2c1 ZINC001668587382 1197420764 /nfs/dbraw/zinc/42/07/64/1197420764.db2.gz FFYGLPQOBWGBJW-UHFFFAOYSA-N -1 3 317.345 3.463 20 10 DGCDHM CC(C)Oc1ncccc1NC(=O)NCc1c([O-])cccc1F ZINC001673467501 1197664201 /nfs/dbraw/zinc/66/42/01/1197664201.db2.gz GMLIKDUJQSSIPZ-UHFFFAOYSA-N -1 3 319.336 3.035 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2ccccc2n1 ZINC001673518598 1197670502 /nfs/dbraw/zinc/67/05/02/1197670502.db2.gz WVXGBZDVODTZIA-UHFFFAOYSA-N -1 3 311.316 3.401 20 10 DGCDHM Cc1cc(F)ccc1CCNC(=O)NCc1c([O-])cccc1F ZINC001679988455 1198847074 /nfs/dbraw/zinc/84/70/74/1198847074.db2.gz AVDVMLTZESRQBS-UHFFFAOYSA-N -1 3 320.339 3.021 20 10 DGCDHM O=C(NCc1coc2ccccc12)NCc1c([O-])cccc1F ZINC001682774726 1199193592 /nfs/dbraw/zinc/19/35/92/1199193592.db2.gz WRGWAEHIIGJPGZ-UHFFFAOYSA-N -1 3 314.316 3.277 20 10 DGCDHM CCOc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000321985435 970833548 /nfs/dbraw/zinc/83/35/48/970833548.db2.gz DCCICAMHJCDZBC-AWEZNQCLSA-N -1 3 321.417 3.114 20 10 DGCDHM CCOc1cccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000321985435 970833556 /nfs/dbraw/zinc/83/35/56/970833556.db2.gz DCCICAMHJCDZBC-AWEZNQCLSA-N -1 3 321.417 3.114 20 10 DGCDHM CC[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1[O-] ZINC001595301402 980437736 /nfs/dbraw/zinc/43/77/36/980437736.db2.gz ZDXYOECDIMXGHY-ZDUSSCGKSA-N -1 3 320.776 3.380 20 10 DGCDHM CCC[N@H+](Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1[O-] ZINC001595890754 982922346 /nfs/dbraw/zinc/92/23/46/982922346.db2.gz CHKBCXVFSWDTSR-UHFFFAOYSA-N -1 3 316.401 3.150 20 10 DGCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])c(C)n1C)Cc1ccccc1[O-] ZINC001595890754 982922349 /nfs/dbraw/zinc/92/23/49/982922349.db2.gz CHKBCXVFSWDTSR-UHFFFAOYSA-N -1 3 316.401 3.150 20 10 DGCDHM CCCC[N@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC001574494414 983252007 /nfs/dbraw/zinc/25/20/07/983252007.db2.gz UREXYECVGMZOOJ-UHFFFAOYSA-N -1 3 302.374 3.221 20 10 DGCDHM CCCC[N@@H+](Cc1c[nH]c(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC001574494414 983252011 /nfs/dbraw/zinc/25/20/11/983252011.db2.gz UREXYECVGMZOOJ-UHFFFAOYSA-N -1 3 302.374 3.221 20 10 DGCDHM CCN(C)c1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001596194337 983576988 /nfs/dbraw/zinc/57/69/88/983576988.db2.gz IXMDKIWKTIIKGN-UHFFFAOYSA-N -1 3 324.424 3.399 20 10 DGCDHM C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239924 994425716 /nfs/dbraw/zinc/42/57/16/994425716.db2.gz IJGUJVIWNLWLHI-LBPRGKRZSA-N -1 3 321.417 3.072 20 10 DGCDHM C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275386 994628962 /nfs/dbraw/zinc/62/89/62/994628962.db2.gz SHRPSJZIDKTDHD-SNVBAGLBSA-N -1 3 321.323 3.262 20 10 DGCDHM C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593275383 994629026 /nfs/dbraw/zinc/62/90/26/994629026.db2.gz SHRPSJZIDKTDHD-JTQLQIEISA-N -1 3 321.323 3.262 20 10 DGCDHM COCC[C@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219140 997635738 /nfs/dbraw/zinc/63/57/38/997635738.db2.gz WPBWLDHDZBGMPD-RISCZKNCSA-N -1 3 319.357 3.112 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H]2CF)cc1Br ZINC001233141192 1098236682 /nfs/dbraw/zinc/23/66/82/1098236682.db2.gz DGSBJTGXNWDUKO-SNVBAGLBSA-N -1 3 318.186 3.097 20 10 DGCDHM COc1cc2c(cn1)CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140342344 1082146299 /nfs/dbraw/zinc/14/62/99/1082146299.db2.gz FPQVIYGGEQVGNE-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001140466062 1082279123 /nfs/dbraw/zinc/27/91/23/1082279123.db2.gz VRNFRBYSHYVJPR-MRXNPFEDSA-N -1 3 304.777 3.014 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCc2nc(Cl)ncc2C1 ZINC001140467245 1082287030 /nfs/dbraw/zinc/28/70/30/1082287030.db2.gz RKPQOYOYLXJSJD-UHFFFAOYSA-N -1 3 310.184 3.047 20 10 DGCDHM CCOC(C)(C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181153267 1083421793 /nfs/dbraw/zinc/42/17/93/1083421793.db2.gz YUZIVSBVTCQBHG-UHFFFAOYSA-N -1 3 322.792 3.025 20 10 DGCDHM Cc1noc([C@H]2CCCCN2Cc2ccc(Cl)cc2[O-])n1 ZINC001181647997 1083506446 /nfs/dbraw/zinc/50/64/46/1083506446.db2.gz YREVADUVOHZYGL-CYBMUJFWSA-N -1 3 307.781 3.464 20 10 DGCDHM Cc1noc(-c2ccc(NCc3cc(F)c(F)cc3[O-])cn2)n1 ZINC001181871746 1083565425 /nfs/dbraw/zinc/56/54/25/1083565425.db2.gz YBMULNVYWKVBMA-UHFFFAOYSA-N -1 3 318.283 3.036 20 10 DGCDHM O=C1CCN(Cc2ccc(Cl)cc2[O-])c2ccccc2N1 ZINC001182160715 1083636882 /nfs/dbraw/zinc/63/68/82/1083636882.db2.gz KPCNZBHZXIMYPJ-UHFFFAOYSA-N -1 3 302.761 3.394 20 10 DGCDHM CSC[C@@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183216284 1083900430 /nfs/dbraw/zinc/90/04/30/1083900430.db2.gz FHZQPHCDXLGHRR-SECBINFHSA-N -1 3 324.833 3.209 20 10 DGCDHM Cc1ccc(C(=O)Nc2cncc(C(F)(F)F)c2)c([O-])c1O ZINC001159648191 1088432258 /nfs/dbraw/zinc/43/22/58/1088432258.db2.gz QVGRUDKZNOYVPT-UHFFFAOYSA-N -1 3 312.247 3.072 20 10 DGCDHM Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])[n+]([O-])c1 ZINC001168522636 1088532352 /nfs/dbraw/zinc/53/23/52/1088532352.db2.gz HDWVMBRISZXXAP-UHFFFAOYSA-N -1 3 315.760 3.148 20 10 DGCDHM COc1cc(Cl)cc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001156170548 1089417082 /nfs/dbraw/zinc/41/70/82/1089417082.db2.gz PJGSQWMYKFODPA-UHFFFAOYSA-N -1 3 309.724 3.123 20 10 DGCDHM COc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001157724660 1090088598 /nfs/dbraw/zinc/08/85/98/1090088598.db2.gz RMQUKALKAKZAIU-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM Cc1ccc(C)n1-c1ccc(NCCCc2c[n-][nH]c2=O)cc1 ZINC001164373688 1090417174 /nfs/dbraw/zinc/41/71/74/1090417174.db2.gz ALGMPNJHTILUGE-OAHLLOKOSA-N -1 3 310.401 3.018 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CC(F)(F)C[C@H]1CF ZINC001203636347 1090770921 /nfs/dbraw/zinc/77/09/21/1090770921.db2.gz UUUGCSYZFCRMBE-JTQLQIEISA-N -1 3 324.140 3.334 20 10 DGCDHM CCOC(=O)CN(Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC001203664369 1090775960 /nfs/dbraw/zinc/77/59/60/1090775960.db2.gz BHQFVOWWDFPYNY-UHFFFAOYSA-N -1 3 311.809 3.353 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cn(-c2ccccc2)nn1 ZINC001204111226 1090903927 /nfs/dbraw/zinc/90/39/27/1090903927.db2.gz RFXRNYNERXVBMD-UHFFFAOYSA-N -1 3 300.749 3.238 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@@H]1CCOc2ccc(F)cc21 ZINC001205414738 1091215095 /nfs/dbraw/zinc/21/50/95/1091215095.db2.gz PEMGKCBDNQXFPN-CQSZACIVSA-N -1 3 309.287 3.423 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001139683615 1091641021 /nfs/dbraw/zinc/64/10/21/1091641021.db2.gz OUNDXRGPNQAJES-CYBMUJFWSA-N -1 3 320.339 3.109 20 10 DGCDHM O=C1CCC2(CC1)CCN(Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139688079 1091643486 /nfs/dbraw/zinc/64/34/86/1091643486.db2.gz YHVIXYAEJAEERZ-UHFFFAOYSA-N -1 3 309.356 3.396 20 10 DGCDHM [O-]c1c(F)cccc1CN1CC(O)(c2cccc3ccccc32)C1 ZINC001206477887 1091644276 /nfs/dbraw/zinc/64/42/76/1091644276.db2.gz RMKPKDACJYQMOF-UHFFFAOYSA-N -1 3 323.367 3.388 20 10 DGCDHM O=C1CN(Cc2cc(F)ccc2[O-])Cc2ccc(Cl)cc21 ZINC001140056188 1091751693 /nfs/dbraw/zinc/75/16/93/1091751693.db2.gz LFVKWXBWVYISRQ-UHFFFAOYSA-N -1 3 305.736 3.383 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCn2cc(-c3ccccc3)nc2C1 ZINC001140060266 1091754417 /nfs/dbraw/zinc/75/44/17/1091754417.db2.gz SNCQXZBDFCPFBR-UHFFFAOYSA-N -1 3 323.371 3.411 20 10 DGCDHM CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1c([O-])cccc1Cl ZINC001140341597 1091834518 /nfs/dbraw/zinc/83/45/18/1091834518.db2.gz YQNULJSKZFHDJG-BXUZGUMPSA-N -1 3 311.809 3.209 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CC(Oc2ccc(F)cc2)C1 ZINC001140464718 1091876345 /nfs/dbraw/zinc/87/63/45/1091876345.db2.gz AVRZZAYHIWPDQI-UHFFFAOYSA-N -1 3 307.752 3.448 20 10 DGCDHM Cc1ccc2c(n1)N(C)CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140467651 1091878259 /nfs/dbraw/zinc/87/82/59/1091878259.db2.gz UCPNIZGWHMCREB-UHFFFAOYSA-N -1 3 317.820 3.201 20 10 DGCDHM C[C@@H]1C(=O)Nc2ccccc2CN1Cc1ccc(Cl)cc1[O-] ZINC001207195850 1091883775 /nfs/dbraw/zinc/88/37/75/1091883775.db2.gz FOOVMFBTHGPAPE-LLVKDONJSA-N -1 3 316.788 3.388 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001142508929 1092491289 /nfs/dbraw/zinc/49/12/89/1092491289.db2.gz QEXBHUGVHVBCIC-LBPRGKRZSA-N -1 3 313.241 3.394 20 10 DGCDHM Cc1c(F)cc(-c2noc(-c3cccc(O)c3[O-])n2)cc1F ZINC001215145710 1093926706 /nfs/dbraw/zinc/92/67/06/1093926706.db2.gz DOHUPAPLCWTFLI-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM COc1ccc(Cl)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145743 1093927022 /nfs/dbraw/zinc/92/70/22/1093927022.db2.gz GPASRRVEUOWXNB-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM Cc1c(F)ccc(-c2noc(-c3cccc(O)c3[O-])n2)c1F ZINC001215145910 1093927189 /nfs/dbraw/zinc/92/71/89/1093927189.db2.gz QQTLBXMTFSHIGK-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc3scnc3c2)no1 ZINC001215146009 1093927217 /nfs/dbraw/zinc/92/72/17/1093927217.db2.gz WSAUVTQNCRTGOC-UHFFFAOYSA-N -1 3 311.322 3.425 20 10 DGCDHM Cc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(F)cc1F ZINC001215325131 1093960677 /nfs/dbraw/zinc/96/06/77/1093960677.db2.gz CMACHWIQXWMIJH-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc3ccncc32)no1 ZINC001215325457 1093960878 /nfs/dbraw/zinc/96/08/78/1093960878.db2.gz UPTDWRGATXHPPO-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM CC[C@@H]1COC(C)(C)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000403832700 1094187640 /nfs/dbraw/zinc/18/76/40/1094187640.db2.gz NTOOTRJVJUETAP-CQSZACIVSA-N -1 3 309.381 3.123 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC2(CC2)C1 ZINC001144292654 1095589027 /nfs/dbraw/zinc/58/90/27/1095589027.db2.gz HNVPMSWIWTXKAI-UHFFFAOYSA-N -1 3 300.171 3.280 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H](CF)C1 ZINC001144300174 1095595776 /nfs/dbraw/zinc/59/57/76/1095595776.db2.gz VSPYDGUAATYESO-VIFPVBQESA-N -1 3 320.177 3.475 20 10 DGCDHM CC(C)(C)OC(=O)O[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC001138122518 1095895435 /nfs/dbraw/zinc/89/54/35/1095895435.db2.gz KFPDSJIUIQKUCA-GFCCVEGCSA-N -1 3 311.353 3.057 20 10 DGCDHM Cc1cnn(-c2ccc(C)cc2)c1NC(=O)c1cccc(O)c1[O-] ZINC001148212128 1096326263 /nfs/dbraw/zinc/32/62/63/1096326263.db2.gz NIBUXCWNIPVTBP-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2-c2ncco2)c([O-])c1O ZINC001148245740 1096341945 /nfs/dbraw/zinc/34/19/45/1096341945.db2.gz MERUJUQOTBTUSL-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c([O-])c1 ZINC001231450251 1097752054 /nfs/dbraw/zinc/75/20/54/1097752054.db2.gz CHQQAOOYTNXEFC-INIZCTEOSA-N -1 3 312.369 3.213 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c([O-])c1 ZINC001231450251 1097752059 /nfs/dbraw/zinc/75/20/59/1097752059.db2.gz CHQQAOOYTNXEFC-INIZCTEOSA-N -1 3 312.369 3.213 20 10 DGCDHM COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455283 1097753777 /nfs/dbraw/zinc/75/37/77/1097753777.db2.gz MHGHDAWPHPWWOF-LBPRGKRZSA-N -1 3 315.369 3.292 20 10 DGCDHM COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455283 1097753780 /nfs/dbraw/zinc/75/37/80/1097753780.db2.gz MHGHDAWPHPWWOF-LBPRGKRZSA-N -1 3 315.369 3.292 20 10 DGCDHM CC[N@H+](Cc1ccc(OC)c(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC001231754496 1097832161 /nfs/dbraw/zinc/83/21/61/1097832161.db2.gz ANEWVQZHCQGBKM-UHFFFAOYSA-N -1 3 315.369 3.121 20 10 DGCDHM CC[N@@H+](Cc1ccc(OC)c(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC001231754496 1097832168 /nfs/dbraw/zinc/83/21/68/1097832168.db2.gz ANEWVQZHCQGBKM-UHFFFAOYSA-N -1 3 315.369 3.121 20 10 DGCDHM [O-]c1c(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)ccc2ccccc21 ZINC001231881163 1097877181 /nfs/dbraw/zinc/87/71/81/1097877181.db2.gz TWWHIJTXBKLZAD-NOLJZWGESA-N -1 3 323.314 3.449 20 10 DGCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@]1(O)C(F)(F)F ZINC001231910668 1097890101 /nfs/dbraw/zinc/89/01/01/1097890101.db2.gz QESBFNGUVAUBAN-NOZJJQNGSA-N -1 3 323.742 3.181 20 10 DGCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@]1(O)C(F)(F)F ZINC001231910671 1097890679 /nfs/dbraw/zinc/89/06/79/1097890679.db2.gz QESBFNGUVAUBAN-RNCFNFMXSA-N -1 3 323.742 3.181 20 10 DGCDHM [O-]c1cc(O)c(CN2CCc3ccc(F)cc3C2)cc1Cl ZINC001232264459 1097986220 /nfs/dbraw/zinc/98/62/20/1097986220.db2.gz CDRTXJWZSSQUCJ-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM [O-]c1cc(O)c(CN2CCO[C@H](c3ccccc3)C2)cc1Cl ZINC001232268232 1097988455 /nfs/dbraw/zinc/98/84/55/1097988455.db2.gz NEIILIOBEPDKJY-KRWDZBQOSA-N -1 3 319.788 3.325 20 10 DGCDHM COc1cc([O-])c(CN2CCc3nc(C)sc3C2)cc1Cl ZINC001232269574 1097989003 /nfs/dbraw/zinc/98/90/03/1097989003.db2.gz FGDCYIPOGAUTEU-UHFFFAOYSA-N -1 3 324.833 3.377 20 10 DGCDHM CCCCCCN1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233077054 1098218972 /nfs/dbraw/zinc/21/89/72/1098218972.db2.gz CPCIGKIOQJOYCN-UHFFFAOYSA-N -1 3 312.404 3.368 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(Oc2ccccn2)CC1 ZINC001233334365 1098291241 /nfs/dbraw/zinc/29/12/41/1098291241.db2.gz CVSPGKSTMMCCTR-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@](CF)(C(F)(F)F)C1 ZINC001233332437 1098291893 /nfs/dbraw/zinc/29/18/93/1098291893.db2.gz LEYYDLZDKZKHJZ-LBPRGKRZSA-N -1 3 313.241 3.394 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCCc2cc(O)c(O)cc2C1 ZINC001233335734 1098292394 /nfs/dbraw/zinc/29/23/94/1098292394.db2.gz IWXUJUAVVJHNGZ-UHFFFAOYSA-N -1 3 321.323 3.030 20 10 DGCDHM Cc1cccc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336274 1098293577 /nfs/dbraw/zinc/29/35/77/1098293577.db2.gz GDHQIXMTVGECQY-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001233336235 1098293638 /nfs/dbraw/zinc/29/36/38/1098293638.db2.gz DMSXMKJRVWZODG-ZDUSSCGKSA-N -1 3 320.339 3.109 20 10 DGCDHM CCN(Cc1ccc2c(c1)OCO2)Cc1c([O-])ccc(F)c1F ZINC001233336547 1098294064 /nfs/dbraw/zinc/29/40/64/1098294064.db2.gz PMECLBGZJDTNPB-UHFFFAOYSA-N -1 3 321.323 3.421 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001233336234 1098294544 /nfs/dbraw/zinc/29/45/44/1098294544.db2.gz DMSXMKJRVWZODG-CYBMUJFWSA-N -1 3 320.339 3.109 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(cc1O)CCCC2 ZINC001178412877 1098828751 /nfs/dbraw/zinc/82/87/51/1098828751.db2.gz JBSDJEWVOLPVFZ-UHFFFAOYSA-N -1 3 315.344 3.046 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1CC2CC(C2)C1 ZINC001235306686 1098952242 /nfs/dbraw/zinc/95/22/42/1098952242.db2.gz WZQYAFVXKMRDFL-UHFFFAOYSA-N -1 3 300.171 3.136 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1C2CCC1CC2 ZINC001235304308 1098951258 /nfs/dbraw/zinc/95/12/58/1098951258.db2.gz WWOCTXZUHOZFBO-UHFFFAOYSA-N -1 3 300.171 3.421 20 10 DGCDHM COC(=O)[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793575 1099786834 /nfs/dbraw/zinc/78/68/34/1099786834.db2.gz LFZBFQLIBTXAMS-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM C[C@H]1CC[C@@H](CO)CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794257 1099788352 /nfs/dbraw/zinc/78/83/52/1099788352.db2.gz QZBLKAITBVGVGR-VHSXEESVSA-N -1 3 304.217 3.292 20 10 DGCDHM COc1cc([O-])c(CN2CCc3c(O)cccc3C2)c(Cl)c1 ZINC001236796859 1099789664 /nfs/dbraw/zinc/78/96/64/1099789664.db2.gz ACINKOYMKDTWHC-UHFFFAOYSA-N -1 3 319.788 3.318 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(C1)CCCOC2 ZINC001236794331 1099790947 /nfs/dbraw/zinc/79/09/47/1099790947.db2.gz RLNVHJDKXRLBOG-UHFFFAOYSA-N -1 3 302.201 3.311 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@]2(CCCO2)C1 ZINC001237077115 1099956973 /nfs/dbraw/zinc/95/69/73/1099956973.db2.gz CYUUIEODBMLRAD-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM COC(=O)[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078416 1099960014 /nfs/dbraw/zinc/96/00/14/1099960014.db2.gz SLZDDTUOSGOPOU-VIFPVBQESA-N -1 3 318.200 3.084 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC(N2CCCCC2)C1 ZINC001237084847 1099960616 /nfs/dbraw/zinc/96/06/16/1099960616.db2.gz OPSZSUXGTXFQQM-UHFFFAOYSA-N -1 3 315.244 3.369 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2sc(=O)[n-]c2Cl)cc1 ZINC001237168223 1100012855 /nfs/dbraw/zinc/01/28/55/1100012855.db2.gz GVFCPRVKXVXSBC-UHFFFAOYSA-N -1 3 311.838 3.200 20 10 DGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(Br)cc1[O-] ZINC000691680197 1100028195 /nfs/dbraw/zinc/02/81/95/1100028195.db2.gz UDOBWZRUXYYTMU-GXFFZTMASA-N -1 3 314.223 3.154 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2ncccn2)CC1 ZINC001237619940 1100190765 /nfs/dbraw/zinc/19/07/65/1100190765.db2.gz GCUMDUQUWVCBRA-UHFFFAOYSA-N -1 3 321.783 3.354 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(C2CC2)cc1 ZINC001190499987 1100280443 /nfs/dbraw/zinc/28/04/43/1100280443.db2.gz GBBAOJMIMYKNTF-UHFFFAOYSA-N -1 3 307.346 3.210 20 10 DGCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192034894 1100565104 /nfs/dbraw/zinc/56/51/04/1100565104.db2.gz KALVSZFUJUAHST-UHFFFAOYSA-N -1 3 318.609 3.078 20 10 DGCDHM Cc1[nH]nc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc12 ZINC001193230583 1100722608 /nfs/dbraw/zinc/72/26/08/1100722608.db2.gz WLAGGFJAXGZFTL-UHFFFAOYSA-N -1 3 317.732 3.188 20 10 DGCDHM C[Si](C)(C)CCS(=O)(=O)Nc1ccc([O-])c(Cl)c1 ZINC001195071655 1101063497 /nfs/dbraw/zinc/06/34/97/1101063497.db2.gz FBGPXWUAPYNZPX-UHFFFAOYSA-N -1 3 307.875 3.126 20 10 DGCDHM CCc1cccc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC001252561438 1105794225 /nfs/dbraw/zinc/79/42/25/1105794225.db2.gz HOLSGOMEYIMZDE-UHFFFAOYSA-N -1 3 302.349 3.093 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001258175336 1106687711 /nfs/dbraw/zinc/68/77/11/1106687711.db2.gz QOTDMCOGGGQNEP-UHFFFAOYSA-N -1 3 310.309 3.009 20 10 DGCDHM CCOC(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001320481830 1107019470 /nfs/dbraw/zinc/01/94/70/1107019470.db2.gz ZVCWOZYZIUTMPT-LBPRGKRZSA-N -1 3 315.772 3.102 20 10 DGCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259861486 1107214354 /nfs/dbraw/zinc/21/43/54/1107214354.db2.gz NKGOKAUDFHQMTQ-UHFFFAOYSA-N -1 3 317.410 3.299 20 10 DGCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1C ZINC001260637731 1107289140 /nfs/dbraw/zinc/28/91/40/1107289140.db2.gz MSSXIPFIYMPUFP-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM CC[C@H](Nc1ccc(NC(C)=O)cn1)c1ccc(F)cc1[O-] ZINC001322451269 1107676761 /nfs/dbraw/zinc/67/67/61/1107676761.db2.gz GEEXJIKNPQBIQX-AWEZNQCLSA-N -1 3 303.337 3.448 20 10 DGCDHM O=C(Nc1nc2cc(F)c(F)cc2s1)c1cccc(O)c1[O-] ZINC001324922814 1108513555 /nfs/dbraw/zinc/51/35/55/1108513555.db2.gz ZABOFUPMLKRXAB-UHFFFAOYSA-N -1 3 322.292 3.238 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc3ncccc3c2)no1 ZINC000391252466 1108698511 /nfs/dbraw/zinc/69/85/11/1108698511.db2.gz ZXZNTQBQYUHNCF-UHFFFAOYSA-N -1 3 305.293 3.363 20 10 DGCDHM O=C1CC[C@H](c2cccc(NCc3cccc(F)c3[O-])c2)N1 ZINC001308820171 1111480279 /nfs/dbraw/zinc/48/02/79/1111480279.db2.gz QBYOPKPMGHTNLB-OAHLLOKOSA-N -1 3 300.333 3.095 20 10 DGCDHM COc1nc(C)cc(C)c1CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001308880659 1111488410 /nfs/dbraw/zinc/48/84/10/1111488410.db2.gz NVVHRHVQBOMGAX-UHFFFAOYSA-N -1 3 322.355 3.323 20 10 DGCDHM COC(=O)c1cc(CN(C)Cc2cccc(Cl)c2[O-])oc1C ZINC000179634089 432065651 /nfs/dbraw/zinc/06/56/51/432065651.db2.gz XZQWHGCMUPSVDC-UHFFFAOYSA-N -1 3 323.776 3.366 20 10 DGCDHM CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410767 284302744 /nfs/dbraw/zinc/30/27/44/284302744.db2.gz LCSPVNVMRFMKGY-DTWKUNHWSA-N -1 3 319.232 3.216 20 10 DGCDHM [O-]c1c(F)cccc1CN1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000272511150 130036425 /nfs/dbraw/zinc/03/64/25/130036425.db2.gz XADLUBGVOWFLJF-ZDUSSCGKSA-N -1 3 317.364 3.171 20 10 DGCDHM COCC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccco1 ZINC000273327220 130107967 /nfs/dbraw/zinc/10/79/67/130107967.db2.gz YIBXQRDAHFLWDX-OAHLLOKOSA-N -1 3 321.348 3.194 20 10 DGCDHM COc1cc(C)cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273502019 130129762 /nfs/dbraw/zinc/12/97/62/130129762.db2.gz QGNFCWKFVCEKRI-LBPRGKRZSA-N -1 3 316.357 3.468 20 10 DGCDHM CC[C@H](NCc1cnnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287168078 131267506 /nfs/dbraw/zinc/26/75/06/131267506.db2.gz CAWIJLGNPBSBNG-LBPRGKRZSA-N -1 3 315.204 3.068 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000366659325 131313581 /nfs/dbraw/zinc/31/35/81/131313581.db2.gz XGJIJNXLDZUUSW-CHWSQXEVSA-N -1 3 323.820 3.107 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000366659339 131313763 /nfs/dbraw/zinc/31/37/63/131313763.db2.gz XGJIJNXLDZUUSW-STQMWFEESA-N -1 3 323.820 3.107 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289236914 131367967 /nfs/dbraw/zinc/36/79/67/131367967.db2.gz DLWJZXKUAABADK-GXSJLCMTSA-N -1 3 323.742 3.038 20 10 DGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccs2)c([O-])c1O ZINC000177665795 228333835 /nfs/dbraw/zinc/33/38/35/228333835.db2.gz HZSKOESZUPLFDM-GFCCVEGCSA-N -1 3 303.383 3.445 20 10 DGCDHM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000185697327 228395887 /nfs/dbraw/zinc/39/58/87/228395887.db2.gz NEWDXYJUZQZZTK-KGLIPLIRSA-N -1 3 311.381 3.424 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ncc(-c2ccccc2)o1 ZINC000193084863 228563284 /nfs/dbraw/zinc/56/32/84/228563284.db2.gz OCPVXBXAZPSBSC-NSHDSACASA-N -1 3 324.336 3.244 20 10 DGCDHM C[C@H](C(=O)N1CCCc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000109768887 431178469 /nfs/dbraw/zinc/17/84/69/431178469.db2.gz OWLZNQHWEPTISD-OAHLLOKOSA-N -1 3 324.424 3.192 20 10 DGCDHM CC(C)N(C(=O)CN(C)Cc1ccccc1[O-])c1ccccc1 ZINC000109771205 431178520 /nfs/dbraw/zinc/17/85/20/431178520.db2.gz BCRDALJAPQZJSZ-UHFFFAOYSA-N -1 3 312.413 3.266 20 10 DGCDHM CCN(Cc1ccon1)Cc1cc(Br)ccc1[O-] ZINC000076118526 431528539 /nfs/dbraw/zinc/52/85/39/431528539.db2.gz GOQQRIBTHTXXKC-UHFFFAOYSA-N -1 3 311.179 3.165 20 10 DGCDHM Cc1nc(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)no1 ZINC000092787725 431912419 /nfs/dbraw/zinc/91/24/19/431912419.db2.gz YVUIYJGDDVSDKY-UHFFFAOYSA-N -1 3 307.781 3.117 20 10 DGCDHM C[C@H](NCc1cnn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185113403 432468771 /nfs/dbraw/zinc/46/87/71/432468771.db2.gz GNFJHRQRSHPDTJ-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM CCc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000187122922 432646223 /nfs/dbraw/zinc/64/62/23/432646223.db2.gz JOESJNWBEBGEKE-SNVBAGLBSA-N -1 3 320.414 3.258 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1c1ccco1 ZINC000187156106 432650031 /nfs/dbraw/zinc/65/00/31/432650031.db2.gz FDPSPRNHHUOJSM-CYBMUJFWSA-N -1 3 301.342 3.448 20 10 DGCDHM Cc1cccc([C@@H](NCc2ccc(N(C)C)cc2)C(=O)[O-])c1C ZINC000277207968 432829783 /nfs/dbraw/zinc/82/97/83/432829783.db2.gz HBPIZMGMBNTNHK-GOSISDBHSA-N -1 3 312.413 3.285 20 10 DGCDHM CC[C@@H](NCc1csc(COC)n1)c1ccc(F)cc1[O-] ZINC000289901892 432979119 /nfs/dbraw/zinc/97/91/19/432979119.db2.gz TYIVYGYMKLJCCO-CYBMUJFWSA-N -1 3 310.394 3.375 20 10 DGCDHM C[C@@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000279643044 432989362 /nfs/dbraw/zinc/98/93/62/432989362.db2.gz JMPHQVVWWQVAFK-CQSZACIVSA-N -1 3 304.217 3.436 20 10 DGCDHM CC[C@H](NCc1nnc2n1CCCCC2)c1ccc(C)cc1[O-] ZINC000279921120 432997164 /nfs/dbraw/zinc/99/71/64/432997164.db2.gz AEBAJKICNVKYFP-HNNXBMFYSA-N -1 3 314.433 3.259 20 10 DGCDHM CCCN(Cc1ncnn1C(C)(C)C)Cc1ccccc1[O-] ZINC000283216703 433692586 /nfs/dbraw/zinc/69/25/86/433692586.db2.gz SKVUPPYFAZLWGU-UHFFFAOYSA-N -1 3 302.422 3.151 20 10 DGCDHM Cn1cc([C@H]2CSCCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000191738016 294302613 /nfs/dbraw/zinc/30/26/13/294302613.db2.gz VHRPJFWXRGEOPB-CQSZACIVSA-N -1 3 323.849 3.069 20 10 DGCDHM Cc1nn(C)cc1[C@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000378444363 434179437 /nfs/dbraw/zinc/17/94/37/434179437.db2.gz PTBDVKOYPWOYJW-OAHLLOKOSA-N -1 3 305.809 3.425 20 10 DGCDHM O=C([C@H]1CCCCN1Cc1cccc(Cl)c1[O-])N1CCCC1 ZINC000368460628 434575640 /nfs/dbraw/zinc/57/56/40/434575640.db2.gz APLGFLAMFHMQBK-OAHLLOKOSA-N -1 3 322.836 3.023 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1N1CCCC1 ZINC000192974953 301362045 /nfs/dbraw/zinc/36/20/45/301362045.db2.gz ZYHXXYGUXQXWMU-UHFFFAOYSA-N -1 3 312.369 3.259 20 10 DGCDHM CCc1nocc1CN(C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000293715757 335112334 /nfs/dbraw/zinc/11/23/34/335112334.db2.gz STWMSDWGNPRFAL-UHFFFAOYSA-N -1 3 310.781 3.237 20 10 DGCDHM CCc1noc(C)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293676019 335114835 /nfs/dbraw/zinc/11/48/35/335114835.db2.gz JZEVFNNRLDZIDI-VIFPVBQESA-N -1 3 305.334 3.010 20 10 DGCDHM C[C@@H]1[C@@H](C(=O)NCc2cc(Br)ccc2[O-])[C@H]1C1CC1 ZINC000529391528 340753868 /nfs/dbraw/zinc/75/38/68/340753868.db2.gz ZYSWRIWNUASDHS-MCCGJVOXSA-N -1 3 324.218 3.063 20 10 DGCDHM CCCOc1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)c([O-])c1 ZINC000158031527 520369361 /nfs/dbraw/zinc/36/93/61/520369361.db2.gz HGOUOFYYMWMVAV-LBPRGKRZSA-N -1 3 309.406 3.001 20 10 DGCDHM CC[C@H](Cc1ccccc1)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182507938 522306484 /nfs/dbraw/zinc/30/64/84/522306484.db2.gz WZLVUUBKTNDEHW-OAHLLOKOSA-N -1 3 313.397 3.500 20 10 DGCDHM CC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1nc(C)cs1 ZINC000179483261 522531554 /nfs/dbraw/zinc/53/15/54/522531554.db2.gz NJHLZTKOMMCPAK-NSHDSACASA-N -1 3 306.387 3.052 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000189434514 523829667 /nfs/dbraw/zinc/82/96/67/523829667.db2.gz XOKGWWCLKFLYPY-UHFFFAOYSA-N -1 3 321.398 3.072 20 10 DGCDHM Cc1cnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000180582308 526009903 /nfs/dbraw/zinc/00/99/03/526009903.db2.gz WTJONCBINIDCOV-HNNXBMFYSA-N -1 3 318.442 3.338 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccccc2F)C1 ZINC000180060022 526348705 /nfs/dbraw/zinc/34/87/05/526348705.db2.gz MRNMQIXUUZCBKZ-KRWDZBQOSA-N -1 3 305.324 3.244 20 10 DGCDHM CCN(CCNC(=O)c1cc([O-])cs1)c1ccccc1C ZINC000731870217 574560505 /nfs/dbraw/zinc/56/05/05/574560505.db2.gz VHDXMEFVQBGSIP-UHFFFAOYSA-N -1 3 304.415 3.018 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000731866912 574561123 /nfs/dbraw/zinc/56/11/23/574561123.db2.gz KVTDHRAVAVXRSM-MRXNPFEDSA-N -1 3 317.410 3.040 20 10 DGCDHM Cc1cccc(N2CCN(C(=O)c3cc([O-])cs3)CC2)c1C ZINC000731868234 574561376 /nfs/dbraw/zinc/56/13/76/574561376.db2.gz SOHVMBHMKLBZRA-UHFFFAOYSA-N -1 3 316.426 3.033 20 10 DGCDHM C[C@H](OCCCNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731867851 574561434 /nfs/dbraw/zinc/56/14/34/574561434.db2.gz YGSGHTULAMXWHW-LBPRGKRZSA-N -1 3 305.399 3.351 20 10 DGCDHM Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000731912612 574561646 /nfs/dbraw/zinc/56/16/46/574561646.db2.gz UWBAHRFFWBWDFJ-LLVKDONJSA-N -1 3 319.382 3.255 20 10 DGCDHM Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000731912613 574561649 /nfs/dbraw/zinc/56/16/49/574561649.db2.gz UWBAHRFFWBWDFJ-NSHDSACASA-N -1 3 319.382 3.255 20 10 DGCDHM CCCc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000731912219 574561768 /nfs/dbraw/zinc/56/17/68/574561768.db2.gz QRPFDPGNPDAMSG-UHFFFAOYSA-N -1 3 304.367 3.446 20 10 DGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc2c(c1)CCC2 ZINC000731910767 574561871 /nfs/dbraw/zinc/56/18/71/574561871.db2.gz CCMPGAMZMMJFBA-SNVBAGLBSA-N -1 3 316.378 3.371 20 10 DGCDHM O=C(COC(=O)c1cc([O-])cs1)C12CC3CC(CC(C3)C1)C2 ZINC000731909586 574561915 /nfs/dbraw/zinc/56/19/15/574561915.db2.gz FGHORLXOMOLWMI-UHFFFAOYSA-N -1 3 320.410 3.396 20 10 DGCDHM COC(=O)CN(Cc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000732203034 574567783 /nfs/dbraw/zinc/56/77/83/574567783.db2.gz LXZGTPKALALHTE-UHFFFAOYSA-N -1 3 319.788 3.221 20 10 DGCDHM CCc1nc(CN(Cc2ccccc2[O-])C2CCCC2)no1 ZINC000732205000 574568301 /nfs/dbraw/zinc/56/83/01/574568301.db2.gz XCGMUZWNCVUNDT-UHFFFAOYSA-N -1 3 301.390 3.282 20 10 DGCDHM CC(=O)Nc1ccc(NC(=O)c2cc([O-])cs2)cc1Cl ZINC000732264733 574569265 /nfs/dbraw/zinc/56/92/65/574569265.db2.gz VVYLKIUOAVGQEY-UHFFFAOYSA-N -1 3 310.762 3.318 20 10 DGCDHM CCN(Cc1ccccc1NC(=O)c1cc([O-])cs1)C(C)=O ZINC000732270410 574569673 /nfs/dbraw/zinc/56/96/73/574569673.db2.gz BFPPKRMLQYMJIH-UHFFFAOYSA-N -1 3 318.398 3.074 20 10 DGCDHM CC(C)COc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000732278166 574570119 /nfs/dbraw/zinc/57/01/19/574570119.db2.gz USZLVGGEEGQDCQ-UHFFFAOYSA-N -1 3 305.399 3.419 20 10 DGCDHM CCc1cccc2c(CCNC(=O)c3cc([O-])cs3)c[nH]c21 ZINC000732301402 574570231 /nfs/dbraw/zinc/57/02/31/574570231.db2.gz AXSYZRRZCSCDCJ-UHFFFAOYSA-N -1 3 314.410 3.470 20 10 DGCDHM O=C(OCc1cccc(OC(F)F)c1)c1cc([O-])cs1 ZINC000732353281 574572115 /nfs/dbraw/zinc/57/21/15/574572115.db2.gz DXKVGXGMDYCFLC-UHFFFAOYSA-N -1 3 300.282 3.412 20 10 DGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1nc(-c2cccs2)no1 ZINC000732352768 574572177 /nfs/dbraw/zinc/57/21/77/574572177.db2.gz GKSKFBRORBQRDW-SSDOTTSWSA-N -1 3 322.367 3.483 20 10 DGCDHM Cc1ccc(C(=O)NCCCSc2nccs2)c([O-])c1 ZINC000734358210 574659383 /nfs/dbraw/zinc/65/93/83/574659383.db2.gz FGJFNSPRXOEYJF-UHFFFAOYSA-N -1 3 308.428 3.069 20 10 DGCDHM [O-]c1ccccc1CN(C[C@@H]1CCCO1)CC(F)(F)C(F)F ZINC000736618515 574760327 /nfs/dbraw/zinc/76/03/27/574760327.db2.gz FUHYZXFWJAWBQD-LBPRGKRZSA-N -1 3 321.314 3.274 20 10 DGCDHM CCC[N@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1[O-] ZINC000737019671 574817173 /nfs/dbraw/zinc/81/71/73/574817173.db2.gz IINIPRHXTHBCPC-UHFFFAOYSA-N -1 3 303.358 3.404 20 10 DGCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1[O-] ZINC000737019671 574817175 /nfs/dbraw/zinc/81/71/75/574817175.db2.gz IINIPRHXTHBCPC-UHFFFAOYSA-N -1 3 303.358 3.404 20 10 DGCDHM CCC[N@H+](Cc1cc(C(=O)[O-])oc1C)Cc1ccccc1[O-] ZINC000737020912 574817393 /nfs/dbraw/zinc/81/73/93/574817393.db2.gz NRQQQHMECUJKFA-UHFFFAOYSA-N -1 3 303.358 3.404 20 10 DGCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])oc1C)Cc1ccccc1[O-] ZINC000737020912 574817395 /nfs/dbraw/zinc/81/73/95/574817395.db2.gz NRQQQHMECUJKFA-UHFFFAOYSA-N -1 3 303.358 3.404 20 10 DGCDHM CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000742438851 575000054 /nfs/dbraw/zinc/00/00/54/575000054.db2.gz GGIOFEBBKFWHOG-SFHVURJKSA-N -1 3 322.408 3.432 20 10 DGCDHM CCc1nnc(-c2cccc(NC(=O)c3cc([O-])cs3)c2)o1 ZINC000743815183 575064439 /nfs/dbraw/zinc/06/44/39/575064439.db2.gz FENLHYXCMMVYNS-UHFFFAOYSA-N -1 3 315.354 3.318 20 10 DGCDHM CN(C)[C@@H](CNC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000746697457 575470538 /nfs/dbraw/zinc/47/05/38/575470538.db2.gz VAGAAJBLIOZUNZ-ZDUSSCGKSA-N -1 3 324.833 3.140 20 10 DGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)c1nc2ccccc2o1 ZINC000746700922 575470747 /nfs/dbraw/zinc/47/07/47/575470747.db2.gz CSOUNOBVLVWVAF-SECBINFHSA-N -1 3 302.355 3.128 20 10 DGCDHM CCOc1ccc(CN[C@@H](COC)c2ccc(C)o2)c([O-])c1 ZINC000747100320 575496355 /nfs/dbraw/zinc/49/63/55/575496355.db2.gz WRIIIAKNDUWHPK-HNNXBMFYSA-N -1 3 305.374 3.170 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)CCOc2ccccc2)c1[O-] ZINC000748046921 575558260 /nfs/dbraw/zinc/55/82/60/575558260.db2.gz XEPBWPNDUYDWHB-UHFFFAOYSA-N -1 3 317.360 3.245 20 10 DGCDHM O=C([N-]Cc1ccccc1O)C(F)(F)c1cccc(Cl)c1 ZINC000748346562 575581559 /nfs/dbraw/zinc/58/15/59/575581559.db2.gz MMFYSLQLQCAWSB-UHFFFAOYSA-N -1 3 311.715 3.454 20 10 DGCDHM Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C2CC2)c([O-])c1O ZINC000751538644 575789887 /nfs/dbraw/zinc/78/98/87/575789887.db2.gz UENVYDDVCJPILT-INIZCTEOSA-N -1 3 311.381 3.157 20 10 DGCDHM CS[C@H]1CCC[C@@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000919225000 620740694 /nfs/dbraw/zinc/74/06/94/620740694.db2.gz DGESIXOCSAUCJC-MNOVXSKESA-N -1 3 312.410 3.005 20 10 DGCDHM CN(C)Cc1ccsc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760539 617657208 /nfs/dbraw/zinc/65/72/08/617657208.db2.gz SLJNVHAZNNSHLJ-UHFFFAOYSA-N -1 3 324.833 3.099 20 10 DGCDHM Cc1ccc(C[C@@H](C)NC(=O)NCc2c([O-])cccc2F)s1 ZINC000919666375 620760132 /nfs/dbraw/zinc/76/01/32/620760132.db2.gz COTZMHYIDYYTBX-SNVBAGLBSA-N -1 3 322.405 3.332 20 10 DGCDHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894781295 618455573 /nfs/dbraw/zinc/45/55/73/618455573.db2.gz FWIGUNZCQVZKLU-AWEZNQCLSA-N -1 3 307.344 3.347 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@H]2C[C@H]2C1 ZINC000895326989 618595534 /nfs/dbraw/zinc/59/55/34/618595534.db2.gz KEJNBFQDHPLODY-IUCAKERBSA-N -1 3 300.171 3.136 20 10 DGCDHM CCn1nc(C)c(CN(C)Cc2cc(F)cc(F)c2[O-])c1C ZINC000895417008 618781519 /nfs/dbraw/zinc/78/15/19/618781519.db2.gz LFYFDRBJUZKQMO-UHFFFAOYSA-N -1 3 309.360 3.136 20 10 DGCDHM COc1cc2c(cc1CNCc1c([O-])cccc1F)O[C@H](C)C2 ZINC000896639239 618939989 /nfs/dbraw/zinc/93/99/89/618939989.db2.gz BJPOXHQALNVRAI-LLVKDONJSA-N -1 3 317.360 3.153 20 10 DGCDHM C[C@@H](NCc1csc(N)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000902498347 619643740 /nfs/dbraw/zinc/64/37/40/619643740.db2.gz FABWBFLADZCZCN-SSDOTTSWSA-N -1 3 317.336 3.301 20 10 DGCDHM CC[C@H](NCc1cn(C)nc1OC)c1cccc(Cl)c1[O-] ZINC000903338585 619760082 /nfs/dbraw/zinc/76/00/82/619760082.db2.gz RHJRASXEJXKXAX-ZDUSSCGKSA-N -1 3 309.797 3.029 20 10 DGCDHM C[C@H](Cc1cccs1)NC(=O)NCc1c([O-])cccc1F ZINC000914105001 620505150 /nfs/dbraw/zinc/50/51/50/620505150.db2.gz QKSJIFCQHCHDHK-SNVBAGLBSA-N -1 3 308.378 3.023 20 10 DGCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1c(C)noc1C ZINC000921672079 620930828 /nfs/dbraw/zinc/93/08/28/620930828.db2.gz ROWVGVYLEWDSCP-ZDUSSCGKSA-N -1 3 321.352 3.087 20 10 DGCDHM CCn1ccnc1[C@H](C)NCc1c([O-])cccc1Br ZINC000858172118 621160876 /nfs/dbraw/zinc/16/08/76/621160876.db2.gz KLCYEDFOSUWJSG-JTQLQIEISA-N -1 3 324.222 3.222 20 10 DGCDHM C[C@@H]1CCN(Cc2c([O-])cccc2Br)C[C@H]1F ZINC000862302132 621573273 /nfs/dbraw/zinc/57/32/73/621573273.db2.gz XFJZYEUWWDZTCH-BXKDBHETSA-N -1 3 302.187 3.335 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CC2(CC(F)C2)C1 ZINC000862388865 621582682 /nfs/dbraw/zinc/58/26/82/621582682.db2.gz ADBDXWWISUSWPR-UHFFFAOYSA-N -1 3 300.171 3.089 20 10 DGCDHM CC(C)n1cc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575918 621650540 /nfs/dbraw/zinc/65/05/40/621650540.db2.gz RFCAOSBVUTYNAW-RYUDHWBXSA-N -1 3 318.377 3.490 20 10 DGCDHM C[C@@H](Nc1cccc2c1oc(=O)n2C)c1ccc(F)cc1[O-] ZINC000756856482 621668520 /nfs/dbraw/zinc/66/85/20/621668520.db2.gz QSKDPIDKQBTYHB-SECBINFHSA-N -1 3 302.305 3.149 20 10 DGCDHM C[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(F)cc1[O-] ZINC000756867240 621669184 /nfs/dbraw/zinc/66/91/84/621669184.db2.gz HKHGWORDDXUFTL-LLVKDONJSA-N -1 3 312.348 3.167 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1nnc([C@@H]2CCCO2)s1 ZINC000865296165 621892521 /nfs/dbraw/zinc/89/25/21/621892521.db2.gz RINAIWWYDALWDH-NSHDSACASA-N -1 3 311.794 3.361 20 10 DGCDHM CC/C=C/CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000767325765 622390357 /nfs/dbraw/zinc/39/03/57/622390357.db2.gz XIDSYUDKDUAZNR-SNAWJCMRSA-N -1 3 311.809 3.377 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1CC(F)(F)F ZINC000770393487 622628918 /nfs/dbraw/zinc/62/89/18/622628918.db2.gz YQFPYVWXHVVYTD-JTQLQIEISA-N -1 3 322.758 3.114 20 10 DGCDHM COc1c([O-])c(CNc2cccc(F)c2C)ccc1[N+](=O)[O-] ZINC000774928796 623208570 /nfs/dbraw/zinc/20/85/70/623208570.db2.gz LGMPVWFPMRXFFJ-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM COc1c([O-])c(CN(C)c2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000775056967 623222875 /nfs/dbraw/zinc/22/28/75/623222875.db2.gz ONFFMLJAULFVQP-UHFFFAOYSA-N -1 3 302.330 3.254 20 10 DGCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCCc2c1cnn2C ZINC000775732224 623320734 /nfs/dbraw/zinc/32/07/34/623320734.db2.gz MKDYLLBLHRJVML-AWEZNQCLSA-N -1 3 323.799 3.428 20 10 DGCDHM Cc1ccc2nc(CNCc3cccc(Cl)c3[O-])cn2c1 ZINC000776174993 623390834 /nfs/dbraw/zinc/39/08/34/623390834.db2.gz UJYNEEKESXNRFE-UHFFFAOYSA-N -1 3 301.777 3.292 20 10 DGCDHM CN(C)c1ccc(C=C2SC(=O)[N-]C2=O)c(C(F)(F)F)c1 ZINC000874927602 623392084 /nfs/dbraw/zinc/39/20/84/623392084.db2.gz FKEFBFAQUIYTRH-BJMVGYQFSA-N -1 3 316.304 3.095 20 10 DGCDHM O=C(NCCCSc1ccc(F)cc1)c1cccc(O)c1[O-] ZINC000776327223 623412153 /nfs/dbraw/zinc/41/21/53/623412153.db2.gz HODXLJWDTYULAX-UHFFFAOYSA-N -1 3 321.373 3.149 20 10 DGCDHM CCc1cccc2c(CCNC(=O)c3cccc(O)c3[O-])c[nH]c21 ZINC000776652009 623448869 /nfs/dbraw/zinc/44/88/69/623448869.db2.gz NAEFBMQWVTXRPR-UHFFFAOYSA-N -1 3 324.380 3.114 20 10 DGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1F ZINC000776658885 623449521 /nfs/dbraw/zinc/44/95/21/623449521.db2.gz YROADHDDWNARQS-ZDUSSCGKSA-N -1 3 307.296 3.257 20 10 DGCDHM C[C@@H]1CCN2[C@H](C1)C(=O)N[C@H]2c1cc(-c2ccccc2)ccc1[O-] ZINC000777901499 623582992 /nfs/dbraw/zinc/58/29/92/623582992.db2.gz YXWDROSLVMXRIN-OMWUSAIZSA-N -1 3 322.408 3.288 20 10 DGCDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1ccccc1F ZINC000779179703 623739147 /nfs/dbraw/zinc/73/91/47/623739147.db2.gz XOEGSILZEPOKFU-HNNXBMFYSA-N -1 3 323.751 3.189 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c([O-])c1O ZINC000780861458 623990535 /nfs/dbraw/zinc/99/05/35/623990535.db2.gz KWZLVQQRCBCLAZ-UHFFFAOYSA-N -1 3 312.369 3.259 20 10 DGCDHM COc1c(Cl)cccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780907850 623996421 /nfs/dbraw/zinc/99/64/21/623996421.db2.gz PEWYXGLTLIQSLJ-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccnn2-c2ccccc2C)c([O-])c1O ZINC000780936882 624000674 /nfs/dbraw/zinc/00/06/74/624000674.db2.gz FEQPXIRQDMJJKE-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM Cn1cnc(-c2cccc(NCc3c([O-])cccc3Cl)c2)n1 ZINC000783645840 624379139 /nfs/dbraw/zinc/37/91/39/624379139.db2.gz RKOPUGVIVKCRCL-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM Cc1ccccc1[C@@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000790970159 625726177 /nfs/dbraw/zinc/72/61/77/625726177.db2.gz BDDMSKLJCGAMBR-CQSZACIVSA-N -1 3 309.768 3.316 20 10 DGCDHM CCc1c(NC(=O)c2cccc(O)c2[O-])cnn1C(CC)CC ZINC000791620792 625836842 /nfs/dbraw/zinc/83/68/42/625836842.db2.gz WXHOYPBSHOPSKR-UHFFFAOYSA-N -1 3 317.389 3.470 20 10 DGCDHM CC1=C(Br)CN(Cc2cc(F)ccc2[O-])CC1 ZINC000797604809 626159333 /nfs/dbraw/zinc/15/93/33/626159333.db2.gz CVNOSFQRWLETHB-UHFFFAOYSA-N -1 3 300.171 3.406 20 10 DGCDHM CSc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000799038179 626266675 /nfs/dbraw/zinc/26/66/75/626266675.db2.gz KEWMWZWYUDSYMD-JTQLQIEISA-N -1 3 303.383 3.311 20 10 DGCDHM COc1ccc2c(c1)OCCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000802658959 626565975 /nfs/dbraw/zinc/56/59/75/626565975.db2.gz BBFHFDMRCVHTIH-UHFFFAOYSA-N -1 3 319.788 3.449 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCN(c2cccs2)CC1 ZINC000131362045 626631052 /nfs/dbraw/zinc/63/10/52/626631052.db2.gz HUKGBUSMCMHADG-UHFFFAOYSA-N -1 3 308.834 3.429 20 10 DGCDHM CCOC(=O)c1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC000809742651 626944585 /nfs/dbraw/zinc/94/45/85/626944585.db2.gz CJVLHSBLOYLFJT-UHFFFAOYSA-N -1 3 309.749 3.105 20 10 DGCDHM COc1ccc(O)c([C@@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000810348415 627002815 /nfs/dbraw/zinc/00/28/15/627002815.db2.gz VXQXEUUDFBXVPZ-SECBINFHSA-N -1 3 321.760 3.251 20 10 DGCDHM COCCOc1ccccc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886508688 627154701 /nfs/dbraw/zinc/15/47/01/627154701.db2.gz KWDGXNDQSIGYDR-ZDUSSCGKSA-N -1 3 319.376 3.407 20 10 DGCDHM CCCN(CC(=O)OCC)Cc1ccc2ccccc2c1[O-] ZINC000816494806 627797034 /nfs/dbraw/zinc/79/70/34/627797034.db2.gz ADXHSDVQCOKEAY-UHFFFAOYSA-N -1 3 301.386 3.321 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cccc2c1OCO2 ZINC000816537612 627804404 /nfs/dbraw/zinc/80/44/04/627804404.db2.gz LAYKKWDWISCUNJ-UHFFFAOYSA-N -1 3 309.724 3.203 20 10 DGCDHM Cc1cnc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000926958393 627990139 /nfs/dbraw/zinc/99/01/39/627990139.db2.gz DEKWEBDYAQQVOD-LBPRGKRZSA-N -1 3 301.346 3.163 20 10 DGCDHM C[C@@H](Nc1ccc(COCCO)cc1)c1ccc(F)cc1[O-] ZINC000818360908 628018793 /nfs/dbraw/zinc/01/87/93/628018793.db2.gz CZFGFBMCDWAUDC-GFCCVEGCSA-N -1 3 305.349 3.213 20 10 DGCDHM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705504 628179696 /nfs/dbraw/zinc/17/96/96/628179696.db2.gz KQJOMGIFSSEKLB-GHMZBOCLSA-N -1 3 305.374 3.321 20 10 DGCDHM CC[C@H](OC1CCCCC1)C(=O)NCc1c([O-])cccc1F ZINC000928706586 628179709 /nfs/dbraw/zinc/17/97/09/628179709.db2.gz XSXYLEBEQUJHFF-INIZCTEOSA-N -1 3 309.381 3.275 20 10 DGCDHM C[C@H]1C[C@@H](NCc2cccc(Br)c2[O-])c2nccn21 ZINC000825017678 628716707 /nfs/dbraw/zinc/71/67/07/628716707.db2.gz XDBWVJZTRWCUSP-JOYOIKCWSA-N -1 3 322.206 3.147 20 10 DGCDHM C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C[C@@H]1F ZINC000825440815 628762190 /nfs/dbraw/zinc/76/21/90/628762190.db2.gz LDOORQMCGDKLGI-SKDRFNHKSA-N -1 3 302.187 3.335 20 10 DGCDHM COCc1nc(CNCc2cc(Cl)c(C)cc2[O-])cs1 ZINC000825949227 628813504 /nfs/dbraw/zinc/81/35/04/628813504.db2.gz REEYPXNDVIQHEN-UHFFFAOYSA-N -1 3 312.822 3.247 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1Cl ZINC000826023916 628820952 /nfs/dbraw/zinc/82/09/52/628820952.db2.gz KZFNRBWYERPTQD-IRXDYDNUSA-N -1 3 307.821 3.497 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)C1O ZINC000827152052 628928834 /nfs/dbraw/zinc/92/88/34/628928834.db2.gz PTTAZDSYLSVNCY-RKDXNWHRSA-N -1 3 304.217 3.148 20 10 DGCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](CC(F)(F)F)O1 ZINC000827787115 628991159 /nfs/dbraw/zinc/99/11/59/628991159.db2.gz MIOJUKQUNMDJQU-SKDRFNHKSA-N -1 3 307.287 3.073 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829863724 629202896 /nfs/dbraw/zinc/20/28/96/629202896.db2.gz AFXYGQUZADQJHH-UHFFFAOYSA-N -1 3 319.382 3.043 20 10 DGCDHM COc1ccc(O)c([C@@H](C)N[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733969 629644131 /nfs/dbraw/zinc/64/41/31/629644131.db2.gz XDRUYMJIRQMTRK-GHMZBOCLSA-N -1 3 319.357 3.412 20 10 DGCDHM C[C@H](N[C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831538 629785905 /nfs/dbraw/zinc/78/59/05/629785905.db2.gz JUXLDMKATUXMNN-CABZTGNLSA-N -1 3 311.307 3.403 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000840907997 630375964 /nfs/dbraw/zinc/37/59/64/630375964.db2.gz LUZAIRNEBJBLGT-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM [O-]c1ccc(F)cc1CN[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848928191 631792419 /nfs/dbraw/zinc/79/24/19/631792419.db2.gz WWZZJEVBOBYFAM-DGCLKSJQSA-N -1 3 307.287 3.121 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1C[C@H](O)c2ccccc21 ZINC000850373177 632129892 /nfs/dbraw/zinc/12/98/92/632129892.db2.gz DHGBBTYOSHMBKS-HIFRSBDPSA-N -1 3 307.752 3.453 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2cscn2)c1 ZINC000850511337 632175501 /nfs/dbraw/zinc/17/55/01/632175501.db2.gz CHLFDHNLUMEDBN-ZJUUUORDSA-N -1 3 306.387 3.047 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(C)c(O)c(C)c2C)c([O-])c1O ZINC000185691047 660236912 /nfs/dbraw/zinc/23/69/12/660236912.db2.gz XNQGBTGFIJGBBH-UHFFFAOYSA-N -1 3 301.342 3.289 20 10 DGCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000185719836 660238066 /nfs/dbraw/zinc/23/80/66/660238066.db2.gz FEHXDIHETAJXQA-GJZGRUSLSA-N -1 3 321.417 3.154 20 10 DGCDHM [O-]c1cccc(Br)c1CNCC(F)(F)C(F)F ZINC000706828605 660874088 /nfs/dbraw/zinc/87/40/88/660874088.db2.gz JGWMMOYKXLLXGI-UHFFFAOYSA-N -1 3 316.092 3.145 20 10 DGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)[C@H](C)CO1 ZINC000707143453 660888019 /nfs/dbraw/zinc/88/80/19/660888019.db2.gz SHQUEZHEJBJJKV-MNOVXSKESA-N -1 3 314.223 3.154 20 10 DGCDHM CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000794326123 661078734 /nfs/dbraw/zinc/07/87/34/661078734.db2.gz FYTUPRWDIYSACZ-DGCLKSJQSA-N -1 3 307.390 3.236 20 10 DGCDHM C[C@](NC(=O)NCc1c([O-])cccc1F)(C1CC1)C(F)(F)F ZINC000933558270 655720121 /nfs/dbraw/zinc/72/01/21/655720121.db2.gz FWKJYWQZZYVTBZ-ZDUSSCGKSA-N -1 3 320.286 3.062 20 10 DGCDHM CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000250384746 657468243 /nfs/dbraw/zinc/46/82/43/657468243.db2.gz XJXMFBHPXMXQQO-SNVBAGLBSA-N -1 3 303.233 3.225 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOc3ccccc3C2)c1[O-] ZINC000321307006 658146913 /nfs/dbraw/zinc/14/69/13/658146913.db2.gz CJBBYUNUPDWMNB-UHFFFAOYSA-N -1 3 315.344 3.129 20 10 DGCDHM CC(C)(C)[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000930905302 661438508 /nfs/dbraw/zinc/43/85/08/661438508.db2.gz RBGNTEKPYDEGDS-LLVKDONJSA-N -1 3 322.302 3.308 20 10 DGCDHM CC[C@@H](C)n1ncc(NC(=O)NCc2c([O-])cccc2F)c1C ZINC000931070086 661449354 /nfs/dbraw/zinc/44/93/54/661449354.db2.gz ODDUMXSXXPPOQP-SNVBAGLBSA-N -1 3 320.368 3.329 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2C)c([O-])c1O ZINC000191461204 662067911 /nfs/dbraw/zinc/06/79/11/662067911.db2.gz VDFOIVSNIOMTEU-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM C[N@H+](Cc1ccccc1[O-])Cc1cccc(Br)c1[O-] ZINC000091974442 662325936 /nfs/dbraw/zinc/32/59/36/662325936.db2.gz INXGQPGUPKFALY-UHFFFAOYSA-N -1 3 322.202 3.492 20 10 DGCDHM C[N@@H+](Cc1ccccc1[O-])Cc1cccc(Br)c1[O-] ZINC000091974442 662325937 /nfs/dbraw/zinc/32/59/37/662325937.db2.gz INXGQPGUPKFALY-UHFFFAOYSA-N -1 3 322.202 3.492 20 10 DGCDHM [O-]c1ccc(Br)cc1CN(CC(F)F)C1CC1 ZINC000093276232 662350158 /nfs/dbraw/zinc/35/01/58/662350158.db2.gz RMFQUONESPXFRE-UHFFFAOYSA-N -1 3 306.150 3.384 20 10 DGCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])CCCO1 ZINC000386597431 685179281 /nfs/dbraw/zinc/17/92/81/685179281.db2.gz KLUFRGKQOGWDLH-UHFFFAOYSA-N -1 3 314.223 3.156 20 10 DGCDHM CCN(CC)c1ccc(CNC(=O)c2c(C)cccc2[O-])cc1 ZINC001596578678 1192697899 /nfs/dbraw/zinc/69/78/99/1192697899.db2.gz KMMRUWWJTLPDQN-UHFFFAOYSA-N -1 3 312.413 3.477 20 10 DGCDHM Cc1ccc(Cl)c(OCC(=O)NCc2c([O-])cccc2F)c1 ZINC001596907452 1192710546 /nfs/dbraw/zinc/71/05/46/1192710546.db2.gz XYZLUMKMGXPBQS-UHFFFAOYSA-N -1 3 323.751 3.188 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC001596911006 1192710553 /nfs/dbraw/zinc/71/05/53/1192710553.db2.gz CIFWHPLMMGRSAC-MNOVXSKESA-N -1 3 321.298 3.229 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H](CF)c1ccc(F)cc1 ZINC001687379878 1176841025 /nfs/dbraw/zinc/84/10/25/1176841025.db2.gz BXAGZSSODABLEW-CQSZACIVSA-N -1 3 324.302 3.180 20 10 DGCDHM Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808648 1192900185 /nfs/dbraw/zinc/90/01/85/1192900185.db2.gz WTFRGMPSDHZFEH-IUCAKERBSA-N -1 3 304.346 3.107 20 10 DGCDHM CC(C)Oc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001603363681 1193016768 /nfs/dbraw/zinc/01/67/68/1193016768.db2.gz GBPISKUOCZCEJA-UHFFFAOYSA-N -1 3 323.400 3.290 20 10 DGCDHM CC(C)Oc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001603363681 1193016771 /nfs/dbraw/zinc/01/67/71/1193016771.db2.gz GBPISKUOCZCEJA-UHFFFAOYSA-N -1 3 323.400 3.290 20 10 DGCDHM C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1nccs1 ZINC001604186069 1193059047 /nfs/dbraw/zinc/05/90/47/1193059047.db2.gz VVUCWVQTGNUWKT-NXEZZACHSA-N -1 3 306.387 3.001 20 10 DGCDHM CCOc1ccc(Cl)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001449930083 1182236579 /nfs/dbraw/zinc/23/65/79/1182236579.db2.gz HMXWOHLZIWQYMS-UHFFFAOYSA-N -1 3 307.733 3.402 20 10 DGCDHM O=C(Nc1cc(F)cc(OC(F)F)c1)c1cccc(O)c1[O-] ZINC001455008087 1182356763 /nfs/dbraw/zinc/35/67/63/1182356763.db2.gz ZQTVKVOFTDZROC-UHFFFAOYSA-N -1 3 313.231 3.091 20 10 DGCDHM CC[C@@H](C)c1nnc([C@H](C)NCc2cc(F)c(F)cc2[O-])[nH]1 ZINC001462184215 1182920477 /nfs/dbraw/zinc/92/04/77/1182920477.db2.gz QJWBCSYYYZCBBC-BDAKNGLRSA-N -1 3 310.348 3.153 20 10 DGCDHM Cc1cc([O-])c(CN2CCOc3cc(O)ccc3C2)c(Cl)c1 ZINC001462220224 1182925198 /nfs/dbraw/zinc/92/51/98/1182925198.db2.gz INNDJDOFMRUDHK-UHFFFAOYSA-N -1 3 319.788 3.454 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccc(Cl)nn1 ZINC001462314040 1182938150 /nfs/dbraw/zinc/93/81/50/1182938150.db2.gz MLQMCJRBUWRGEP-UHFFFAOYSA-N -1 3 318.591 3.432 20 10 DGCDHM Fc1cc(-c2nnn[n-]2)ccc1Sc1ncc(Cl)s1 ZINC001606307703 1193196313 /nfs/dbraw/zinc/19/63/13/1193196313.db2.gz NBVOPGNNKLSDDS-UHFFFAOYSA-N -1 3 313.770 3.267 20 10 DGCDHM Fc1cc(-c2nn[n-]n2)ccc1Sc1ncc(Cl)s1 ZINC001606307703 1193196315 /nfs/dbraw/zinc/19/63/15/1193196315.db2.gz NBVOPGNNKLSDDS-UHFFFAOYSA-N -1 3 313.770 3.267 20 10 DGCDHM COc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1C ZINC001607323196 1193224574 /nfs/dbraw/zinc/22/45/74/1193224574.db2.gz CDMIUFQNVXZDCF-LBPRGKRZSA-N -1 3 315.369 3.258 20 10 DGCDHM Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c1[O-] ZINC001607655731 1193245425 /nfs/dbraw/zinc/24/54/25/1193245425.db2.gz HGEQKDJIQHYDKH-ZDUSSCGKSA-N -1 3 309.793 3.041 20 10 DGCDHM C[C@H](NCc1cc(Cl)cc(F)c1[O-])C(=O)Nc1ccccc1 ZINC001473996809 1183847390 /nfs/dbraw/zinc/84/73/90/1183847390.db2.gz ZSVASHBBVPKIFE-JTQLQIEISA-N -1 3 322.767 3.302 20 10 DGCDHM Cc1cc(O)c(CNCc2ccc(C(=O)[O-])cc2F)cc1C ZINC001607699999 1193249356 /nfs/dbraw/zinc/24/93/56/1193249356.db2.gz PVGCUYRUWZVETA-UHFFFAOYSA-N -1 3 303.333 3.136 20 10 DGCDHM Cc1cc(O)c(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1C ZINC001607699886 1193249768 /nfs/dbraw/zinc/24/97/68/1193249768.db2.gz OFXRDPYZQVTUKG-UHFFFAOYSA-N -1 3 320.776 3.045 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC001474543628 1183938606 /nfs/dbraw/zinc/93/86/06/1183938606.db2.gz YZHNNESCIBEGHP-UHFFFAOYSA-N -1 3 317.335 3.423 20 10 DGCDHM Cc1cc([O-])c(CN2Cc3ccccc3NC(=O)C2)c(Cl)c1 ZINC001474599392 1183947260 /nfs/dbraw/zinc/94/72/60/1183947260.db2.gz UIPKATBCGUEKDL-UHFFFAOYSA-N -1 3 316.788 3.308 20 10 DGCDHM Cc1ccc(O[C@@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC001474649697 1183956381 /nfs/dbraw/zinc/95/63/81/1183956381.db2.gz GBJIZBJXELKVPH-CQSZACIVSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1ccc2c(c1)[C@H](NC(=O)NCc1c([O-])cccc1F)CC2 ZINC001478912047 1184186459 /nfs/dbraw/zinc/18/64/59/1184186459.db2.gz IZPOSTKQGMBYMK-MRXNPFEDSA-N -1 3 314.360 3.326 20 10 DGCDHM O=C([O-])[C@H](CC(F)F)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001608529797 1193291341 /nfs/dbraw/zinc/29/13/41/1193291341.db2.gz GLNYVQRUARMGMB-AWEZNQCLSA-N -1 3 321.323 3.257 20 10 DGCDHM C[C@H]([NH2+]CCc1cccc(F)c1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776638 1193355746 /nfs/dbraw/zinc/35/57/46/1193355746.db2.gz BSPDMAPTSHEJLO-JTQLQIEISA-N -1 3 321.323 3.262 20 10 DGCDHM CCC(CC)[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])N(C)C ZINC001609916449 1193364452 /nfs/dbraw/zinc/36/44/52/1193364452.db2.gz AGAGKIWBMQLYJT-MLGOLLRUSA-N -1 3 322.449 3.107 20 10 DGCDHM Cc1cc(C)cc([C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])c1 ZINC001610456235 1193390215 /nfs/dbraw/zinc/39/02/15/1193390215.db2.gz SMPNFHOCNIQPAF-MRXNPFEDSA-N -1 3 303.333 3.064 20 10 DGCDHM Cc1oc2ccccc2c1CC(=O)NCc1c([O-])cccc1F ZINC001558454162 1189126431 /nfs/dbraw/zinc/12/64/31/1189126431.db2.gz AOKLFCXNBDBSCQ-UHFFFAOYSA-N -1 3 313.328 3.445 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@H](C2)C3(F)F)c1[O-] ZINC001559665905 1189228098 /nfs/dbraw/zinc/22/80/98/1189228098.db2.gz UGBDQWBEJWXWFC-OLZOCXBDSA-N -1 3 315.747 3.335 20 10 DGCDHM Cc1ccc([C@@H]2C[C@H]2NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001564969432 1189611545 /nfs/dbraw/zinc/61/15/45/1189611545.db2.gz VGUMIQDINVCQCZ-XJKSGUPXSA-N -1 3 314.360 3.195 20 10 DGCDHM CNC(=O)Oc1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001621354047 1193832018 /nfs/dbraw/zinc/83/20/18/1193832018.db2.gz IURKDWAMRMXTOU-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1cc(F)cnc1Cl ZINC001621353162 1193832077 /nfs/dbraw/zinc/83/20/77/1193832077.db2.gz IHLFUFWUTIQJMK-UHFFFAOYSA-N -1 3 302.683 3.148 20 10 DGCDHM O=C(NCC1CCc2ccccc2CC1)c1cccc(O)c1[O-] ZINC001630344513 1194281512 /nfs/dbraw/zinc/28/15/12/1194281512.db2.gz QKSIIJZACPSHAQ-UHFFFAOYSA-N -1 3 311.381 3.023 20 10 DGCDHM O=C(NC1(c2ccccc2Cl)CC1)c1cccc(O)c1[O-] ZINC001630783341 1194304249 /nfs/dbraw/zinc/30/42/49/1194304249.db2.gz SFWZWFJFMJVPGQ-UHFFFAOYSA-N -1 3 303.745 3.170 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CSc2ccccc21 ZINC001632076325 1194370288 /nfs/dbraw/zinc/37/02/88/1194370288.db2.gz HMBPJDJBKVHJEA-ZDUSSCGKSA-N -1 3 318.373 3.178 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc2cc(O)ccc21 ZINC001635367110 1194547654 /nfs/dbraw/zinc/54/76/54/1194547654.db2.gz ZEIBGCAFQMOGBA-UHFFFAOYSA-N -1 3 311.312 3.320 20 10 DGCDHM COc1ccccc1/C(C)=C/C(=O)NCc1c([O-])cccc1F ZINC001638864359 1194741584 /nfs/dbraw/zinc/74/15/84/1194741584.db2.gz XTXWHBQFDRICBQ-ZRDIBKRKSA-N -1 3 315.344 3.260 20 10 DGCDHM CCOc1cccc(/C=C/C(=O)NCc2c([O-])cccc2F)c1 ZINC001638866659 1194741856 /nfs/dbraw/zinc/74/18/56/1194741856.db2.gz IGPGWKLSVDZZNX-MDZDMXLPSA-N -1 3 315.344 3.260 20 10 DGCDHM Cc1ccc(C(=O)Nc2nnc(CCC(C)C)s2)c([O-])c1O ZINC001640420241 1194812664 /nfs/dbraw/zinc/81/26/64/1194812664.db2.gz VVRSMOOZLUDXCB-UHFFFAOYSA-N -1 3 321.402 3.099 20 10 DGCDHM CCOc1ccc(N(CC)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001642199360 1194893474 /nfs/dbraw/zinc/89/34/74/1194893474.db2.gz DBPXBCILNBQJTR-UHFFFAOYSA-N -1 3 313.401 3.485 20 10 DGCDHM Cc1ccc(CC(=O)NCc2c([O-])cccc2F)cc1Cl ZINC001646035268 1195211711 /nfs/dbraw/zinc/21/17/11/1195211711.db2.gz VBMQCIPMFKPSHU-UHFFFAOYSA-N -1 3 307.752 3.352 20 10 DGCDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001651857483 1195517333 /nfs/dbraw/zinc/51/73/33/1195517333.db2.gz ICIUYVWWYRCOKG-UHFFFAOYSA-N -1 3 304.733 3.470 20 10 DGCDHM CN(C)c1ccccc1CN(C)Cc1ccc(F)c(F)c1[O-] ZINC001652577399 1195620473 /nfs/dbraw/zinc/62/04/73/1195620473.db2.gz WZAKACJKZQYHBG-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1-c1cccc(C)c1 ZINC001654080727 1195773065 /nfs/dbraw/zinc/77/30/65/1195773065.db2.gz PWTFFMDXFJKBAO-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM COCC[C@H](NCc1cc(F)c(F)cc1[O-])c1ccc(C)o1 ZINC001657545762 1196153733 /nfs/dbraw/zinc/15/37/33/1196153733.db2.gz GLFCMYUBOFYSMB-AWEZNQCLSA-N -1 3 311.328 3.439 20 10 DGCDHM C[C@H](NCc1cc(F)c(F)cc1[O-])c1c(F)cncc1F ZINC001658061387 1196208996 /nfs/dbraw/zinc/20/89/96/1196208996.db2.gz SEVUWULFESEZKW-ZETCQYMHSA-N -1 3 300.255 3.194 20 10 DGCDHM CCOc1cc(F)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001658357869 1196246449 /nfs/dbraw/zinc/24/64/49/1196246449.db2.gz VIOLQENSJDUOTQ-UHFFFAOYSA-N -1 3 322.311 3.391 20 10 DGCDHM COC[C@@H](NCc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001659082332 1196341896 /nfs/dbraw/zinc/34/18/96/1196341896.db2.gz VUPGYBKKSUWQID-OAHLLOKOSA-N -1 3 311.303 3.287 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC001659243146 1196362432 /nfs/dbraw/zinc/36/24/32/1196362432.db2.gz IMEHTVSZIYHPMB-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM C[C@@H](O)[C@H](NCc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585946 1196397970 /nfs/dbraw/zinc/39/79/70/1196397970.db2.gz FYMDOMFYAUCWPE-ABKXIKBNSA-N -1 3 311.303 3.021 20 10 DGCDHM Cc1ccc([N+](=O)[O-])cc1NC(=O)NCc1c([O-])cccc1F ZINC001667717916 1197382509 /nfs/dbraw/zinc/38/25/09/1197382509.db2.gz OKHJXKPRCKZQLI-UHFFFAOYSA-N -1 3 319.292 3.070 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cncc(C(F)F)c1 ZINC001672568379 1197617876 /nfs/dbraw/zinc/61/78/76/1197617876.db2.gz IPFVJUDVMHCADH-UHFFFAOYSA-N -1 3 311.263 3.186 20 10 DGCDHM C[C@@H](COc1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592782809 979420156 /nfs/dbraw/zinc/42/01/56/979420156.db2.gz MBPSHKDUXAPRPV-STQMWFEESA-N -1 3 315.369 3.209 20 10 DGCDHM C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592902827 979829490 /nfs/dbraw/zinc/82/94/90/979829490.db2.gz ORKYNMDQICQBDR-QWRGUYRKSA-N -1 3 305.399 3.434 20 10 DGCDHM CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001595278121 980308709 /nfs/dbraw/zinc/30/87/09/980308709.db2.gz ACDFZNLUWSCKRP-XHDPSFHLSA-N -1 3 300.358 3.287 20 10 DGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])C1(OC)CCC1 ZINC001595747668 982414596 /nfs/dbraw/zinc/41/45/96/982414596.db2.gz IKHOXPXDCFFCLI-INIZCTEOSA-N -1 3 321.417 3.017 20 10 DGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])C1(OC)CCC1 ZINC001595747668 982414600 /nfs/dbraw/zinc/41/46/00/982414600.db2.gz IKHOXPXDCFFCLI-INIZCTEOSA-N -1 3 321.417 3.017 20 10 DGCDHM C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264427 994566199 /nfs/dbraw/zinc/56/61/99/994566199.db2.gz KIHFAABAYPMXHY-OCCSQVGLSA-N -1 3 307.390 3.090 20 10 DGCDHM C[C@@H]([NH2+]CCc1ccccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273702 994620712 /nfs/dbraw/zinc/62/07/12/994620712.db2.gz GDRJMHAZSNYMTB-LLVKDONJSA-N -1 3 303.333 3.123 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CC2(C1)CC(F)(F)CS2 ZINC001140466139 1082278898 /nfs/dbraw/zinc/27/88/98/1082278898.db2.gz YNADLPMEWYULLE-UHFFFAOYSA-N -1 3 305.777 3.372 20 10 DGCDHM O=C(C1CCN(Cc2ccc(Cl)cc2[O-])CC1)C(F)(F)F ZINC001140466451 1082287224 /nfs/dbraw/zinc/28/72/24/1082287224.db2.gz GDNNFZIKYHFVTQ-UHFFFAOYSA-N -1 3 321.726 3.389 20 10 DGCDHM C/C=C\C[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001181457989 1083469867 /nfs/dbraw/zinc/46/98/67/1083469867.db2.gz SNRLGQZPEZWUBW-SDQPKGBYSA-N -1 3 311.809 3.342 20 10 DGCDHM C[C@@H](NCc1ccc(Br)cc1[O-])c1cscn1 ZINC000691439031 1088457826 /nfs/dbraw/zinc/45/78/26/1088457826.db2.gz AHZXPMOBQAVZAA-MRVPVSSYSA-N -1 3 313.220 3.462 20 10 DGCDHM Cc1cc(NCc2cc(Cl)c3cccnc3c2[O-])ncn1 ZINC001168523309 1088560243 /nfs/dbraw/zinc/56/02/43/1088560243.db2.gz NDEKNPYPSURLLY-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM Cc1cnnc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001157723998 1090088470 /nfs/dbraw/zinc/08/84/70/1090088470.db2.gz ILILOUGMNVAOHR-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM Cc1cc[n+]([O-])c(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168527439 1090349014 /nfs/dbraw/zinc/34/90/14/1090349014.db2.gz IEEZSWSHWVUMDK-UHFFFAOYSA-N -1 3 315.760 3.148 20 10 DGCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001203559071 1090755893 /nfs/dbraw/zinc/75/58/93/1090755893.db2.gz AYADMCFTHDDKOT-JTQLQIEISA-N -1 3 317.301 3.059 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001203574226 1090759360 /nfs/dbraw/zinc/75/93/60/1090759360.db2.gz QHMWEPMDDUFVDC-XPTSAGLGSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CC2(C1)CC(F)(F)C2 ZINC001203636663 1090771168 /nfs/dbraw/zinc/77/11/68/1090771168.db2.gz ZKERHUPWRVTRQH-UHFFFAOYSA-N -1 3 318.161 3.386 20 10 DGCDHM Cc1nc([C@H]2COCCN2Cc2cc(Cl)ccc2[O-])cs1 ZINC001203656087 1090774485 /nfs/dbraw/zinc/77/44/85/1090774485.db2.gz HEPAZKPCEAGGHK-CQSZACIVSA-N -1 3 324.833 3.384 20 10 DGCDHM CCOCc1noc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203658477 1090774687 /nfs/dbraw/zinc/77/46/87/1090774687.db2.gz XJMVUDRIALVIRS-UHFFFAOYSA-N -1 3 322.792 3.128 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](CF)C1 ZINC000715806057 1091009554 /nfs/dbraw/zinc/00/95/54/1091009554.db2.gz PHWWRFQAFLOSQS-VIFPVBQESA-N -1 3 320.177 3.475 20 10 DGCDHM [O-]c1ccc(F)cc1CN1Cc2cc(Br)cnc2C1 ZINC001140055052 1091749838 /nfs/dbraw/zinc/74/98/38/1091749838.db2.gz FUEHTZIAXMHZNQ-UHFFFAOYSA-N -1 3 323.165 3.205 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCC(F)(F)[C@H](F)C1 ZINC001140098970 1091766861 /nfs/dbraw/zinc/76/68/61/1091766861.db2.gz VOLFROCBWHSJFT-LLVKDONJSA-N -1 3 324.140 3.334 20 10 DGCDHM Cc1nc2c(o1)CCN(Cc1c([O-])cccc1Br)C2 ZINC001140101841 1091769705 /nfs/dbraw/zinc/76/97/05/1091769705.db2.gz BNDVUEYFZMOLDD-UHFFFAOYSA-N -1 3 323.190 3.009 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](c2ccncc2)C1 ZINC001140341684 1091834554 /nfs/dbraw/zinc/83/45/54/1091834554.db2.gz BYXHNZLJLZIZQQ-MRXNPFEDSA-N -1 3 304.777 3.014 20 10 DGCDHM CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC001140341598 1091834865 /nfs/dbraw/zinc/83/48/65/1091834865.db2.gz YQVDGXZSKMKWOP-ZDUSSCGKSA-N -1 3 311.809 3.352 20 10 DGCDHM C[C@H]1C(=O)Nc2ccccc2CN1Cc1ccc(Cl)cc1[O-] ZINC001207195851 1091882811 /nfs/dbraw/zinc/88/28/11/1091882811.db2.gz FOOVMFBTHGPAPE-NSHDSACASA-N -1 3 316.788 3.388 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2ccc([O-])c(F)c2F)cc1 ZINC001140892119 1092052627 /nfs/dbraw/zinc/05/26/27/1092052627.db2.gz AYTKDLXQOCMATJ-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM O=C(N[C@H](CCc1ccccc1)C(F)F)c1cccc(O)c1[O-] ZINC001300878991 1092525983 /nfs/dbraw/zinc/52/59/83/1092525983.db2.gz SWQQBUUQZXGFBQ-CYBMUJFWSA-N -1 3 321.323 3.094 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3ncccc3c2)no1 ZINC001215325231 1093960653 /nfs/dbraw/zinc/96/06/53/1093960653.db2.gz HOBVZFHFGMWOBQ-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cncc4ccccc43)no2)cc1O ZINC001215328970 1093961886 /nfs/dbraw/zinc/96/18/86/1093961886.db2.gz WQVFXHODHHGFEW-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM [O-]c1cccc(F)c1CN1CCc2c(cnn2-c2ccccc2)C1 ZINC001137837804 1095760013 /nfs/dbraw/zinc/76/00/13/1095760013.db2.gz VIHTTZTXCWQIOJ-UHFFFAOYSA-N -1 3 323.371 3.275 20 10 DGCDHM O=C(Nc1ccccc1-c1ccncc1)c1cccc(O)c1[O-] ZINC001148219412 1096327399 /nfs/dbraw/zinc/32/73/99/1096327399.db2.gz YOWLGQMZOUOBIX-UHFFFAOYSA-N -1 3 306.321 3.412 20 10 DGCDHM CCCC[C@@H](CC)COCCCNC(=O)c1cccc(O)c1[O-] ZINC001148220057 1096328118 /nfs/dbraw/zinc/32/81/18/1096328118.db2.gz NODXMKWNPIVUJZ-CQSZACIVSA-N -1 3 323.433 3.451 20 10 DGCDHM O=C(NCCCCC1CCCCC1)c1cc(O)c([O-])c(O)c1 ZINC001148590820 1096408588 /nfs/dbraw/zinc/40/85/88/1096408588.db2.gz QXSUXDFFCMUJPM-UHFFFAOYSA-N -1 3 307.390 3.284 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC(c3ccccc3)CC2)c1 ZINC001231563918 1097780551 /nfs/dbraw/zinc/78/05/51/1097780551.db2.gz TURVQDAWWCHCPY-UHFFFAOYSA-N -1 3 311.381 3.470 20 10 DGCDHM C[N@H+](CC/C=C/c1cccnc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566367 1097781015 /nfs/dbraw/zinc/78/10/15/1097781015.db2.gz ZUNMTEZGYPFMOD-GORDUTHDSA-N -1 3 312.369 3.021 20 10 DGCDHM C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231566367 1097781017 /nfs/dbraw/zinc/78/10/17/1097781017.db2.gz ZUNMTEZGYPFMOD-GORDUTHDSA-N -1 3 312.369 3.021 20 10 DGCDHM CN(CC(=O)c1ccccc1)Cc1cc(Cl)c([O-])cc1O ZINC001232262143 1097984423 /nfs/dbraw/zinc/98/44/23/1097984423.db2.gz ARWVEEYRKILQQR-UHFFFAOYSA-N -1 3 305.761 3.066 20 10 DGCDHM [O-]c1cc(O)c(CN2CCOc3ccccc3C2)cc1Cl ZINC001232261872 1097985584 /nfs/dbraw/zinc/98/55/84/1097985584.db2.gz SAAMTJAQOYLESN-UHFFFAOYSA-N -1 3 305.761 3.146 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)cc1Cl ZINC001232266960 1097986859 /nfs/dbraw/zinc/98/68/59/1097986859.db2.gz TWDYVTAGRBOMHC-TZMCWYRMSA-N -1 3 323.820 3.388 20 10 DGCDHM [O-]c1c(CN2CCC[C@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077409 1098220692 /nfs/dbraw/zinc/22/06/92/1098220692.db2.gz MQAXLQQZXUFQOO-AWEZNQCLSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001233334898 1098291306 /nfs/dbraw/zinc/29/13/06/1098291306.db2.gz YOIMFNGVVTYKOA-ZDUSSCGKSA-N -1 3 320.339 3.109 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(F)c2ccncc12 ZINC001178413686 1098828573 /nfs/dbraw/zinc/82/85/73/1098828573.db2.gz WFDNLLJVHWRBDG-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM CCOC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001180086729 1099307533 /nfs/dbraw/zinc/30/75/33/1099307533.db2.gz LSMOLUPILZYXDX-CQSZACIVSA-N -1 3 311.809 3.272 20 10 DGCDHM COC(=O)[C@@H](C)Cc1ccc(NCc2cccc(F)c2[O-])cc1 ZINC001180655683 1099485241 /nfs/dbraw/zinc/48/52/41/1099485241.db2.gz ZUDDZECWCZHDTH-LBPRGKRZSA-N -1 3 317.360 3.495 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001236665008 1099731718 /nfs/dbraw/zinc/73/17/18/1099731718.db2.gz ZZOMXQMGTWXHMU-GAFUQQFSSA-N -1 3 314.198 3.253 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797715 1099791570 /nfs/dbraw/zinc/79/15/70/1099791570.db2.gz INNNKGCCZWUWFW-DOMZBBRYSA-N -1 3 323.820 3.388 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H]2CF)c(Br)c1 ZINC001237068368 1099954035 /nfs/dbraw/zinc/95/40/35/1099954035.db2.gz PDOHUIIZHBAFIX-SECBINFHSA-N -1 3 318.186 3.097 20 10 DGCDHM CCCN1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237080941 1099958291 /nfs/dbraw/zinc/95/82/91/1099958291.db2.gz HZZLMKVKQCBPFZ-UHFFFAOYSA-N -1 3 303.233 3.227 20 10 DGCDHM COC(=O)[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078415 1099959490 /nfs/dbraw/zinc/95/94/90/1099959490.db2.gz SLZDDTUOSGOPOU-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM CC(=O)c1cc([N-]S(=O)(=O)c2c(C)cccc2C)ccc1O ZINC001194639424 1100979250 /nfs/dbraw/zinc/97/92/50/1100979250.db2.gz RUIKESZZVWCRBL-UHFFFAOYSA-N -1 3 319.382 3.012 20 10 DGCDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001254794505 1106142742 /nfs/dbraw/zinc/14/27/42/1106142742.db2.gz SHYWCSZOWMVGQH-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1C ZINC001259167439 1107087815 /nfs/dbraw/zinc/08/78/15/1107087815.db2.gz WNMUVAXYUAQCAX-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM CCOC(=O)C[C@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC001321863031 1107451689 /nfs/dbraw/zinc/45/16/89/1107451689.db2.gz HKEKNXYNVNDGAP-SNVBAGLBSA-N -1 3 315.772 3.102 20 10 DGCDHM CC(=O)c1cc(F)cc(CNC(C)(C)c2nccs2)c1[O-] ZINC000079437223 185171480 /nfs/dbraw/zinc/17/14/80/185171480.db2.gz ZYJVSSWHXDQZGS-UHFFFAOYSA-N -1 3 308.378 3.215 20 10 DGCDHM CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1nc(C)cs1 ZINC000179516446 432061169 /nfs/dbraw/zinc/06/11/69/432061169.db2.gz HAQFKFADNQZUCR-MRXNPFEDSA-N -1 3 320.414 3.226 20 10 DGCDHM Cc1noc([C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000179755844 432070467 /nfs/dbraw/zinc/07/04/67/432070467.db2.gz HYEIOFBPYDPRKW-GFCCVEGCSA-N -1 3 307.781 3.117 20 10 DGCDHM C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552665 296164193 /nfs/dbraw/zinc/16/41/93/296164193.db2.gz XIZHIDGLKOVDGZ-RNCFNFMXSA-N -1 3 307.344 3.132 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c([O-])c1O ZINC000272717724 130057420 /nfs/dbraw/zinc/05/74/20/130057420.db2.gz DRLXXYOAYWBVHC-ZDUSSCGKSA-N -1 3 315.344 3.175 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000272773375 130062576 /nfs/dbraw/zinc/06/25/76/130062576.db2.gz SWGVDGKZKWRRSO-CYBMUJFWSA-N -1 3 315.344 3.175 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(N(C)C)cc2)c1 ZINC000273456961 130123540 /nfs/dbraw/zinc/12/35/40/130123540.db2.gz PTSSWTVRCNJUCF-GFCCVEGCSA-N -1 3 314.385 3.418 20 10 DGCDHM CCOc1cc2c(cc1NCc1cccc(F)c1[O-])OCCO2 ZINC000275111326 130291372 /nfs/dbraw/zinc/29/13/72/130291372.db2.gz DAWDQBRWDBKQMW-UHFFFAOYSA-N -1 3 319.332 3.313 20 10 DGCDHM Cc1cc(Br)cc([C@@H](C)NCc2nccn2C)c1[O-] ZINC000275376094 130311000 /nfs/dbraw/zinc/31/10/00/130311000.db2.gz WSFXMNMBTXFYGP-SNVBAGLBSA-N -1 3 324.222 3.047 20 10 DGCDHM CCc1nn(C)c(OC)c1CN[C@H](CC)c1ccc(F)cc1[O-] ZINC000286055489 131217928 /nfs/dbraw/zinc/21/79/28/131217928.db2.gz LFOIFFZMWKGMAU-CQSZACIVSA-N -1 3 321.396 3.077 20 10 DGCDHM CCCN(Cc1nc(-c2ccco2)no1)Cc1ccccc1[O-] ZINC000299572067 132111867 /nfs/dbraw/zinc/11/18/67/132111867.db2.gz BPTVYUBTJRXLOQ-UHFFFAOYSA-N -1 3 313.357 3.447 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000091017950 400087840 /nfs/dbraw/zinc/08/78/40/400087840.db2.gz GWDMECGNUWGQQZ-UHFFFAOYSA-N -1 3 321.398 3.289 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC([C@H]2CCOC2)C1 ZINC000373466362 229555616 /nfs/dbraw/zinc/55/56/16/229555616.db2.gz OERDXGTYLAFFHH-VIFPVBQESA-N -1 3 302.201 3.167 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccncc2)c1[O-] ZINC000153841432 277105978 /nfs/dbraw/zinc/10/59/78/277105978.db2.gz JVURZQRSENETBP-QGZVFWFLSA-N -1 3 314.360 3.466 20 10 DGCDHM Cc1cccc(C)c1NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109770515 431180224 /nfs/dbraw/zinc/18/02/24/431180224.db2.gz ZTEDLBBKZZIQFG-HNNXBMFYSA-N -1 3 312.413 3.468 20 10 DGCDHM CC[C@](C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1nc(C)cs1 ZINC000174499411 432352579 /nfs/dbraw/zinc/35/25/79/432352579.db2.gz ZXNDCUQSKDZDDJ-HNNXBMFYSA-N -1 3 321.402 3.480 20 10 DGCDHM COC[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1ccco1 ZINC000184561364 432406357 /nfs/dbraw/zinc/40/63/57/432406357.db2.gz NDMVYEUGSFUXDR-CQSZACIVSA-N -1 3 323.776 3.319 20 10 DGCDHM COc1cc(N(C)Cc2cc([O-])cc(F)c2)cc(OC)c1OC ZINC000186410723 432592136 /nfs/dbraw/zinc/59/21/36/432592136.db2.gz TXXWSRAJOWFFKH-UHFFFAOYSA-N -1 3 321.348 3.194 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCSC[C@@H]1c1nccs1 ZINC000186662884 432619612 /nfs/dbraw/zinc/61/96/12/432619612.db2.gz OIUKRYUSRVIOKE-GFCCVEGCSA-N -1 3 310.419 3.278 20 10 DGCDHM Cc1ccc(C(=O)N(Cc2cccs2)C2CC2)c([O-])c1O ZINC000177670300 432648261 /nfs/dbraw/zinc/64/82/61/432648261.db2.gz DGATVYVCTYTTTG-UHFFFAOYSA-N -1 3 303.383 3.273 20 10 DGCDHM CCNC(=O)CN(Cc1ccccc1[O-])[C@H](C)c1ccccc1 ZINC000268303956 432862848 /nfs/dbraw/zinc/86/28/48/432862848.db2.gz OVNBSUMYBQCXIZ-OAHLLOKOSA-N -1 3 312.413 3.092 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278270288 432890472 /nfs/dbraw/zinc/89/04/72/432890472.db2.gz RRQDXMBMKKICEV-UHFFFAOYSA-N -1 3 316.357 3.249 20 10 DGCDHM C[C@H](NC[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332580 432892067 /nfs/dbraw/zinc/89/20/67/432892067.db2.gz WNZYDVOJKAGDLS-XUOSJQGZSA-N -1 3 318.122 3.273 20 10 DGCDHM C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279255620 432950367 /nfs/dbraw/zinc/95/03/67/432950367.db2.gz IRDIDQALHSYHTN-DZGCQCFKSA-N -1 3 311.381 3.191 20 10 DGCDHM CCOc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278897094 432914162 /nfs/dbraw/zinc/91/41/62/432914162.db2.gz QLZQAIAYFVWQMO-UHFFFAOYSA-N -1 3 318.329 3.320 20 10 DGCDHM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000278916140 432916879 /nfs/dbraw/zinc/91/68/79/432916879.db2.gz JYXHWADYQHVJAZ-ZFWWWQNUSA-N -1 3 311.381 3.424 20 10 DGCDHM CC(=O)c1cc(Cl)cc(Cn2cnc3c2CCCC3)c1[O-] ZINC000296562129 432921806 /nfs/dbraw/zinc/92/18/06/432921806.db2.gz COZMPXKOPPLDRA-UHFFFAOYSA-N -1 3 304.777 3.372 20 10 DGCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2c2nc(C)no2)c1[O-] ZINC000289818746 432974804 /nfs/dbraw/zinc/97/48/04/432974804.db2.gz NZYAHKSWIHXMBO-GFCCVEGCSA-N -1 3 323.780 3.083 20 10 DGCDHM CCOCc1nc([C@H](C)N[C@@H](C)c2ccc(C)cc2[O-])no1 ZINC000290200341 433011879 /nfs/dbraw/zinc/01/18/79/433011879.db2.gz PCAOBAVCMGTDHM-RYUDHWBXSA-N -1 3 305.378 3.032 20 10 DGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000281575817 433315738 /nfs/dbraw/zinc/31/57/38/433315738.db2.gz CWESIHPTQDEOSA-QMTHXVAHSA-N -1 3 311.809 3.248 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1n1ccnc1 ZINC000294434603 434111924 /nfs/dbraw/zinc/11/19/24/434111924.db2.gz XNEGPKNLIXEQKY-IAQYHMDHSA-N -1 3 323.799 3.464 20 10 DGCDHM Cc1ccc(-c2ncco2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000369077801 434587320 /nfs/dbraw/zinc/58/73/20/434587320.db2.gz NESZGYQUUMPOGH-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM C[C@@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2c([O-])cccc21 ZINC000492613106 435021311 /nfs/dbraw/zinc/02/13/11/435021311.db2.gz CEMQBGOWOXHRQK-FOQNGQEVSA-N -1 3 312.344 3.480 20 10 DGCDHM Cc1nc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)no1 ZINC000375011436 337001454 /nfs/dbraw/zinc/00/14/54/337001454.db2.gz FTRJDJKTWDGADC-UHFFFAOYSA-N -1 3 307.781 3.117 20 10 DGCDHM CC(C)(C)OCc1cc(CNCc2cc(F)ccc2[O-])no1 ZINC000188659217 518884339 /nfs/dbraw/zinc/88/43/39/518884339.db2.gz OEFBTLLQHRKPLT-UHFFFAOYSA-N -1 3 308.353 3.124 20 10 DGCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000124236575 519873522 /nfs/dbraw/zinc/87/35/22/519873522.db2.gz BIMHMUWLPPQWJL-ZDUSSCGKSA-N -1 3 324.852 3.174 20 10 DGCDHM C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C[C@@H]1n1ccnc1 ZINC000180720054 524512525 /nfs/dbraw/zinc/51/25/25/524512525.db2.gz PNIDRYUWTMGIGT-DOMZBBRYSA-N -1 3 305.809 3.325 20 10 DGCDHM Cc1cccc(NC(=O)CN(C)Cc2cc(F)ccc2[O-])c1C ZINC000179885449 524590783 /nfs/dbraw/zinc/59/07/83/524590783.db2.gz GTZRPIVGTBZUNR-UHFFFAOYSA-N -1 3 316.376 3.219 20 10 DGCDHM Cc1cc(Br)cc(CN(C)Cc2cccnc2)c1[O-] ZINC000182035193 526157892 /nfs/dbraw/zinc/15/78/92/526157892.db2.gz UJFDWRSTUCXWQN-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM O=C1CCCCN1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180522682 526970325 /nfs/dbraw/zinc/97/03/25/526970325.db2.gz LDVOLAJTLUPHJV-UHFFFAOYSA-N -1 3 322.836 3.023 20 10 DGCDHM CC1(CCN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CC1 ZINC000286476679 535115813 /nfs/dbraw/zinc/11/58/13/535115813.db2.gz VYFYCXJBODWAFX-UHFFFAOYSA-N -1 3 322.792 3.000 20 10 DGCDHM CC(C)(C)OC(=O)CN(Cc1ccccc1[O-])C1CCCC1 ZINC000731848138 574560396 /nfs/dbraw/zinc/56/03/96/574560396.db2.gz UEYHSIXWZZXHIM-UHFFFAOYSA-N -1 3 305.418 3.479 20 10 DGCDHM CC[C@@H]1CCCCN1C(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000731843840 574560084 /nfs/dbraw/zinc/56/00/84/574560084.db2.gz YVBWQPVYNJWWJL-GDBMZVCRSA-N -1 3 304.434 3.004 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000731870861 574560749 /nfs/dbraw/zinc/56/07/49/574560749.db2.gz PFMQRDMVHBPKQA-CYBMUJFWSA-N -1 3 323.801 3.321 20 10 DGCDHM O=C(Nc1nc(CN2CCCCC2)cs1)c1cc([O-])cs1 ZINC000731866957 574561176 /nfs/dbraw/zinc/56/11/76/574561176.db2.gz LTJVICZHRPAPAF-UHFFFAOYSA-N -1 3 323.443 3.148 20 10 DGCDHM O=C(OCc1coc(-c2ccccc2)n1)c1cc([O-])cs1 ZINC000731909810 574561815 /nfs/dbraw/zinc/56/18/15/574561815.db2.gz LBXSOCQHUPZIBG-UHFFFAOYSA-N -1 3 301.323 3.466 20 10 DGCDHM Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000732277322 574570224 /nfs/dbraw/zinc/57/02/24/574570224.db2.gz DVXAEROGEOTICK-LBPRGKRZSA-N -1 3 305.399 3.268 20 10 DGCDHM CC(C)COC[C@H](NC(=O)c1cc([O-])cs1)c1ccco1 ZINC000732283173 574570342 /nfs/dbraw/zinc/57/03/42/574570342.db2.gz DSGRDGDRULQGHO-LBPRGKRZSA-N -1 3 309.387 3.190 20 10 DGCDHM Cc1[nH]c2ccccc2c1CCNC(=O)c1cc([O-])cs1 ZINC000732282216 574570555 /nfs/dbraw/zinc/57/05/55/574570555.db2.gz AOGWACFTPLOCNU-UHFFFAOYSA-N -1 3 300.383 3.216 20 10 DGCDHM Cc1cc(C)c(C(=O)COC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732352954 574572092 /nfs/dbraw/zinc/57/20/92/574572092.db2.gz IRGDSOKQVPQIJE-UHFFFAOYSA-N -1 3 304.367 3.419 20 10 DGCDHM Cc1ccc(F)cc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353705 574572121 /nfs/dbraw/zinc/57/21/21/574572121.db2.gz LDNFTLQPBYVUNE-VIFPVBQESA-N -1 3 323.345 3.085 20 10 DGCDHM O=C(OCc1ccccc1OC(F)F)c1cc([O-])cs1 ZINC000732352959 574572134 /nfs/dbraw/zinc/57/21/34/574572134.db2.gz ISVMFSNATYPMGT-UHFFFAOYSA-N -1 3 300.282 3.412 20 10 DGCDHM CCOc1ccc(OCCOC(=O)c2cc([O-])cs2)cc1 ZINC000732353810 574572257 /nfs/dbraw/zinc/57/22/57/574572257.db2.gz WLGFBHNQCFDQDQ-UHFFFAOYSA-N -1 3 308.355 3.088 20 10 DGCDHM O=C(OCc1cc(-c2ccccc2)no1)c1cc([O-])cs1 ZINC000732355001 574572326 /nfs/dbraw/zinc/57/23/26/574572326.db2.gz ZHOPCBORZUPGMF-UHFFFAOYSA-N -1 3 301.323 3.466 20 10 DGCDHM CCN(C(=O)[C@H](C)OC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732354561 574572329 /nfs/dbraw/zinc/57/23/29/574572329.db2.gz VTPVKSYPDBDNAN-NSHDSACASA-N -1 3 319.382 3.052 20 10 DGCDHM COc1ccccc1C[C@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000747943350 575552819 /nfs/dbraw/zinc/55/28/19/575552819.db2.gz GJWTYOKPUQWXIN-AWEZNQCLSA-N -1 3 319.426 3.459 20 10 DGCDHM CCCCN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000749699682 575673251 /nfs/dbraw/zinc/67/32/51/575673251.db2.gz HWFZPGSBBOJZFA-LJQANCHMSA-N -1 3 310.397 3.290 20 10 DGCDHM CCOc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751529300 575788926 /nfs/dbraw/zinc/78/89/26/575788926.db2.gz AWEANFYSDFEQDD-UHFFFAOYSA-N -1 3 315.369 3.077 20 10 DGCDHM CN(Cc1nccn1C(F)F)Cc1cc(Cl)ccc1[O-] ZINC000154992401 620752754 /nfs/dbraw/zinc/75/27/54/620752754.db2.gz NFYSIVGRFHYRDX-UHFFFAOYSA-N -1 3 301.724 3.269 20 10 DGCDHM CS[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894881255 618486280 /nfs/dbraw/zinc/48/62/80/618486280.db2.gz UUHUACSHTXIOPN-SNVBAGLBSA-N -1 3 320.227 3.231 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])cc1O ZINC000893974265 618685994 /nfs/dbraw/zinc/68/59/94/618685994.db2.gz RFPSTRQITUAOJT-UHFFFAOYSA-N -1 3 309.312 3.017 20 10 DGCDHM [O-]c1c(Br)cc(Cl)cc1CN1C[C@@H]2C[C@@H]2C1 ZINC000895390752 618778030 /nfs/dbraw/zinc/77/80/30/618778030.db2.gz XQMYKJVPPCUAQI-OCAPTIKFSA-N -1 3 302.599 3.260 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1cc(Cl)cc2c1OCC2 ZINC000896636577 618939502 /nfs/dbraw/zinc/93/95/02/618939502.db2.gz FYZJMJKZBVVCEL-UHFFFAOYSA-N -1 3 307.752 3.409 20 10 DGCDHM COc1cccc([C@H](C)CC(=O)NCc2c([O-])cccc2F)c1 ZINC000928705628 619058842 /nfs/dbraw/zinc/05/88/42/619058842.db2.gz MKAYJHAXSVYKGD-GFCCVEGCSA-N -1 3 317.360 3.350 20 10 DGCDHM CC1(C)C[C@H](NC(=O)NCc2c([O-])cccc2F)CCS1 ZINC000897852975 619188697 /nfs/dbraw/zinc/18/86/97/619188697.db2.gz QTPOTVIVBBCIQH-SNVBAGLBSA-N -1 3 312.410 3.005 20 10 DGCDHM CC[C@@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063017 619708503 /nfs/dbraw/zinc/70/85/03/619708503.db2.gz AXTIGQCOPZPVFJ-UKRRQHHQSA-N -1 3 306.385 3.098 20 10 DGCDHM C[C@H](NCc1cnn(CC2CCC2)c1)c1c([O-])cccc1F ZINC000903240622 619742865 /nfs/dbraw/zinc/74/28/65/619742865.db2.gz VUSXYZULLFTVIW-LBPRGKRZSA-N -1 3 303.381 3.379 20 10 DGCDHM C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1c([O-])cccc1F ZINC000903336438 619759844 /nfs/dbraw/zinc/75/98/44/619759844.db2.gz NZLHIJNLOGSORX-MRVPVSSYSA-N -1 3 317.286 3.134 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855487966 620907434 /nfs/dbraw/zinc/90/74/34/620907434.db2.gz BURWXOXNUYRPQX-MRXNPFEDSA-N -1 3 313.353 3.448 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCc2sccc21 ZINC000922014052 620980542 /nfs/dbraw/zinc/98/05/42/620980542.db2.gz FIMZFUZRRVGEIK-CYBMUJFWSA-N -1 3 320.389 3.470 20 10 DGCDHM Cc1cc([O-])c(CNCc2cc(C3CC3)n(C)n2)c(Cl)c1 ZINC000922953243 621135125 /nfs/dbraw/zinc/13/51/25/621135125.db2.gz PIGOFFSJCSGNHM-UHFFFAOYSA-N -1 3 305.809 3.255 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1c2ccccc2CC[C@H]1O ZINC000922991001 621145162 /nfs/dbraw/zinc/14/51/62/621145162.db2.gz UNVJACGENDHCNT-WBVHZDCISA-N -1 3 321.779 3.323 20 10 DGCDHM CC(C)(CNC(=O)NCc1c([O-])cccc1F)CC(F)F ZINC000923996394 621190625 /nfs/dbraw/zinc/19/06/25/621190625.db2.gz DUKUADLZVQBWFC-UHFFFAOYSA-N -1 3 304.312 3.012 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN[C@@H](C)c2ccn(C)n2)c1 ZINC000839193160 621347484 /nfs/dbraw/zinc/34/74/84/621347484.db2.gz ZCYLQKBDLPWABS-JTQLQIEISA-N -1 3 324.222 3.047 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(F)cc2F)c1 ZINC000756494484 621641986 /nfs/dbraw/zinc/64/19/86/621641986.db2.gz FKSRZVJERYWICG-SNVBAGLBSA-N -1 3 321.323 3.308 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2nc(C)cs2)c1 ZINC000756533759 621645849 /nfs/dbraw/zinc/64/58/49/621645849.db2.gz IBQFUOSITGUTAB-MNOVXSKESA-N -1 3 320.414 3.356 20 10 DGCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(F)c1 ZINC000756756287 621662337 /nfs/dbraw/zinc/66/23/37/621662337.db2.gz HCVZXUODFLPNDI-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2OCO3)c1 ZINC000757659863 621732015 /nfs/dbraw/zinc/73/20/15/621732015.db2.gz SNGSNICTRREWHZ-SNVBAGLBSA-N -1 3 315.325 3.081 20 10 DGCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC000120094493 621781310 /nfs/dbraw/zinc/78/13/10/621781310.db2.gz JXVDXUQSZNNVHH-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM COc1ccc(C)cc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000120100854 621781930 /nfs/dbraw/zinc/78/19/30/621781930.db2.gz FWYKHGVEVPRXNV-LBPRGKRZSA-N -1 3 316.357 3.468 20 10 DGCDHM Cc1scc(CNC(=O)NCc2c([O-])cccc2F)c1C ZINC000923605671 622316515 /nfs/dbraw/zinc/31/65/15/622316515.db2.gz HHWDWTASUWFUFA-UHFFFAOYSA-N -1 3 308.378 3.209 20 10 DGCDHM CN(CC(=O)N(C)C1CCCCC1)Cc1cc(Cl)ccc1[O-] ZINC000768303479 622449277 /nfs/dbraw/zinc/44/92/77/622449277.db2.gz RZTWQTBUDFGKEC-UHFFFAOYSA-N -1 3 324.852 3.269 20 10 DGCDHM CCn1cc(CN(C)Cc2cccc(Br)c2[O-])cn1 ZINC000769426745 622527371 /nfs/dbraw/zinc/52/73/71/622527371.db2.gz HOFDMPNZSAVOJQ-UHFFFAOYSA-N -1 3 324.222 3.003 20 10 DGCDHM COc1cc(C)ccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774933894 623209763 /nfs/dbraw/zinc/20/97/63/623209763.db2.gz RBXXRWGHSHDRLK-UHFFFAOYSA-N -1 3 318.329 3.238 20 10 DGCDHM COc1c([O-])c(CNc2ccc(SC)cn2)ccc1[N+](=O)[O-] ZINC000775038709 623219337 /nfs/dbraw/zinc/21/93/37/623219337.db2.gz ZXSFELAOSHQOKD-UHFFFAOYSA-N -1 3 321.358 3.038 20 10 DGCDHM O=C(N[C@@H]1CCc2c1cccc2Cl)c1cccc(O)c1[O-] ZINC000776338122 623414454 /nfs/dbraw/zinc/41/44/54/623414454.db2.gz FHQFDQSWRQJCIO-CYBMUJFWSA-N -1 3 303.745 3.169 20 10 DGCDHM Cc1n[nH]cc1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877507644 623917558 /nfs/dbraw/zinc/91/75/58/623917558.db2.gz JGTWTPOMJWTQAV-UHFFFAOYSA-N -1 3 307.344 3.082 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)c([O-])c1O ZINC000780859554 623990668 /nfs/dbraw/zinc/99/06/68/623990668.db2.gz GCJYEDTYMSPJCY-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM CC(C)n1cc2cc(NC(=O)c3cccc(O)c3[O-])ccc2n1 ZINC000790730457 625690949 /nfs/dbraw/zinc/69/09/49/625690949.db2.gz QFBFPGIEEYNTLC-UHFFFAOYSA-N -1 3 311.341 3.281 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(-c3ccccc3C)[nH]n2)c([O-])c1O ZINC000781012877 624010007 /nfs/dbraw/zinc/01/00/07/624010007.db2.gz IPHNBTYVXOGBTF-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM CC[C@@H](N[C@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1[O-] ZINC000790755320 625692748 /nfs/dbraw/zinc/69/27/48/625692748.db2.gz MVBJCIOZTYNOHA-NOZJJQNGSA-N -1 3 321.812 3.169 20 10 DGCDHM COc1ncccc1NCc1cc(C)cc(Br)c1[O-] ZINC000781634860 624111718 /nfs/dbraw/zinc/11/17/18/624111718.db2.gz BLBSRALBIVLGIU-UHFFFAOYSA-N -1 3 323.190 3.479 20 10 DGCDHM COc1cnccc1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331288 624338333 /nfs/dbraw/zinc/33/83/33/624338333.db2.gz PJKFWSUUGNSRRU-GHMZBOCLSA-N -1 3 317.345 3.116 20 10 DGCDHM COc1ccc(NCc2c([O-])cccc2Cl)cc1NC(N)=O ZINC000785565567 624688496 /nfs/dbraw/zinc/68/84/96/624688496.db2.gz ZDBDCGNLSKDZND-UHFFFAOYSA-N -1 3 321.764 3.157 20 10 DGCDHM CCc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c([O-])c1 ZINC000787130932 624982277 /nfs/dbraw/zinc/98/22/77/624982277.db2.gz CSLVMMFQSZHRSE-NSHDSACASA-N -1 3 315.369 3.160 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cn2ccsc2n1 ZINC000790959478 625723429 /nfs/dbraw/zinc/72/34/29/625723429.db2.gz XHGZQONVYUNUOK-UHFFFAOYSA-N -1 3 311.769 3.184 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CO)c1ccc(F)cc1 ZINC000790966246 625724330 /nfs/dbraw/zinc/72/43/30/625724330.db2.gz CMIMSDNYABIGGI-CYBMUJFWSA-N -1 3 313.731 3.147 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CCO)c1ccccc1 ZINC000790970616 625725482 /nfs/dbraw/zinc/72/54/82/625725482.db2.gz ALQLSDUFFHJYCH-CQSZACIVSA-N -1 3 309.768 3.398 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1cccc2c1OCCCO2 ZINC000883051202 625910453 /nfs/dbraw/zinc/91/04/53/625910453.db2.gz QWECMVNPNIJTFT-UHFFFAOYSA-N -1 3 321.323 3.122 20 10 DGCDHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000798016963 626189596 /nfs/dbraw/zinc/18/95/96/626189596.db2.gz CVSGKEHJNVMRNW-QWHCGFSZSA-N -1 3 303.745 3.037 20 10 DGCDHM Cc1ccc(C(=O)N2CCCCc3sccc32)c([O-])c1O ZINC000798047345 626191146 /nfs/dbraw/zinc/19/11/46/626191146.db2.gz SCPOTRIKUWCRRV-UHFFFAOYSA-N -1 3 303.383 3.451 20 10 DGCDHM Cc1ccncc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000798962772 626263311 /nfs/dbraw/zinc/26/33/11/626263311.db2.gz YZRPQXMDPCSXEX-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC(C)(C)O1 ZINC000133113157 626766254 /nfs/dbraw/zinc/76/62/54/626766254.db2.gz IXIKTUDKRFRJLJ-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM COc1ccc2ccc([O-])c(CN3CCOCC(F)(F)C3)c2c1 ZINC000808234727 626807967 /nfs/dbraw/zinc/80/79/67/626807967.db2.gz ODRKHSUOCTVSRI-UHFFFAOYSA-N -1 3 323.339 3.022 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCOc2cc(O)ccc2C1 ZINC000809704997 626939386 /nfs/dbraw/zinc/93/93/86/626939386.db2.gz KQWSSBKNTXVYAS-UHFFFAOYSA-N -1 3 305.761 3.146 20 10 DGCDHM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000886500453 627153687 /nfs/dbraw/zinc/15/36/87/627153687.db2.gz WPOVCNZZINCYFJ-RYUDHWBXSA-N -1 3 318.396 3.261 20 10 DGCDHM C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1c([O-])cccc1F ZINC000886574030 627165796 /nfs/dbraw/zinc/16/57/96/627165796.db2.gz KSNKKPDRBRGGIF-NSHDSACASA-N -1 3 323.389 3.249 20 10 DGCDHM C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1c([O-])cccc1F ZINC000886574029 627166132 /nfs/dbraw/zinc/16/61/32/627166132.db2.gz KSNKKPDRBRGGIF-LLVKDONJSA-N -1 3 323.389 3.249 20 10 DGCDHM C[C@@H](NCc1c(C2CCC2)cnn1C)c1c([O-])cccc1F ZINC000886637949 627177922 /nfs/dbraw/zinc/17/79/22/627177922.db2.gz ISSQWIICGJGPSN-LLVKDONJSA-N -1 3 303.381 3.383 20 10 DGCDHM CC[C@@H](NCc1nonc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000811506774 627283718 /nfs/dbraw/zinc/28/37/18/627283718.db2.gz FGQQHCGXZFEMHW-LLVKDONJSA-N -1 3 315.295 3.343 20 10 DGCDHM CC1(C)CN(Cc2cc(F)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000814176619 627546799 /nfs/dbraw/zinc/54/67/99/627546799.db2.gz SJMCIMHPZCNIPY-LBPRGKRZSA-N -1 3 307.287 3.073 20 10 DGCDHM C[C@@H](N[C@@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927060336 628004731 /nfs/dbraw/zinc/00/47/31/628004731.db2.gz ABXLOVQLQHPAQQ-IAQYHMDHSA-N -1 3 313.357 3.424 20 10 DGCDHM CC[C@H](NCc1nc2c(s1)COCC2)c1ccc(F)cc1[O-] ZINC000927119770 628020993 /nfs/dbraw/zinc/02/09/93/628020993.db2.gz ZYBWOXPGJWDFAX-LBPRGKRZSA-N -1 3 322.405 3.301 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(c2cccnc2)CCCC1 ZINC000928706858 628179616 /nfs/dbraw/zinc/17/96/16/628179616.db2.gz XPEHEAQYASWMLL-UHFFFAOYSA-N -1 3 314.360 3.055 20 10 DGCDHM CC(C)(C)c1cnc(CCC(=O)NCc2c([O-])cccc2F)o1 ZINC000928708242 628179979 /nfs/dbraw/zinc/17/99/79/628179979.db2.gz JGXGGTMSFXLXFD-UHFFFAOYSA-N -1 3 320.364 3.066 20 10 DGCDHM CC[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000928709000 628179998 /nfs/dbraw/zinc/17/99/98/628179998.db2.gz VAFHRELJXQZFEI-CQSZACIVSA-N -1 3 317.360 3.350 20 10 DGCDHM Cn1ccnc1[C@@H]1N(Cc2cc(Cl)ccc2[O-])CC1(C)C ZINC000824620361 628678358 /nfs/dbraw/zinc/67/83/58/628678358.db2.gz LOEIWGKDWBPWTH-AWEZNQCLSA-N -1 3 305.809 3.362 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2nnc3ccccn32)cc1Cl ZINC000824649535 628679729 /nfs/dbraw/zinc/67/97/29/628679729.db2.gz DDXUMUFJFYYCLD-UHFFFAOYSA-N -1 3 316.792 3.029 20 10 DGCDHM CC1(C)Cc2n[nH]cc2CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000828014108 629014826 /nfs/dbraw/zinc/01/48/26/629014826.db2.gz UKYWZOOOVVUHMG-UHFFFAOYSA-N -1 3 323.799 3.492 20 10 DGCDHM COCc1nc(CN[C@@H](C)c2ccc(Cl)cc2[O-])cs1 ZINC000841753264 630462217 /nfs/dbraw/zinc/46/22/17/630462217.db2.gz FTHMWFXUDLAAKF-VIFPVBQESA-N -1 3 312.822 3.499 20 10 DGCDHM C[C@H](N[C@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761658 630463281 /nfs/dbraw/zinc/46/32/81/630463281.db2.gz QQNQVGWETGHRSH-ZBEGNZNMSA-N -1 3 314.341 3.223 20 10 DGCDHM COc1ccc(CN[C@@H](CC(=O)[O-])c2ccsc2)cc1C ZINC000841795420 630465564 /nfs/dbraw/zinc/46/55/64/630465564.db2.gz QTOAKCYIKMWRKK-AWEZNQCLSA-N -1 3 305.399 3.371 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCc2cc(Cl)nnc2C1 ZINC000843417891 630654257 /nfs/dbraw/zinc/65/42/57/630654257.db2.gz GAEGTNBXRVGAHH-UHFFFAOYSA-N -1 3 310.184 3.047 20 10 DGCDHM CCOc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([O-])c1 ZINC000848640908 631715544 /nfs/dbraw/zinc/71/55/44/631715544.db2.gz VXLREZMVCZESBA-BYCMXARLSA-N -1 3 321.417 3.016 20 10 DGCDHM O=C([O-])C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CCC1 ZINC000848639770 631715844 /nfs/dbraw/zinc/71/58/44/631715844.db2.gz LHEVBZPZADCVMW-UHFFFAOYSA-N -1 3 311.381 3.498 20 10 DGCDHM O=C([O-])C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])C1CCC1 ZINC000848639770 631715846 /nfs/dbraw/zinc/71/58/46/631715846.db2.gz LHEVBZPZADCVMW-UHFFFAOYSA-N -1 3 311.381 3.498 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1C[C@@H](O)c2ccccc21 ZINC000850373178 632130111 /nfs/dbraw/zinc/13/01/11/632130111.db2.gz DHGBBTYOSHMBKS-UKRRQHHQSA-N -1 3 307.752 3.453 20 10 DGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(C)c1 ZINC000182476626 660056699 /nfs/dbraw/zinc/05/66/99/660056699.db2.gz FEKYPDMEACWHQI-UHFFFAOYSA-N -1 3 321.398 3.209 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC(F)F)c1 ZINC000186940789 660593533 /nfs/dbraw/zinc/59/35/33/660593533.db2.gz HZSGBTQQHPETQL-VIFPVBQESA-N -1 3 323.295 3.190 20 10 DGCDHM CC[C@@]1(C)COCCN1Cc1c([O-])cccc1Br ZINC000707129705 660889703 /nfs/dbraw/zinc/88/97/03/660889703.db2.gz LLHLUCPAEBHIHP-AWEZNQCLSA-N -1 3 314.223 3.156 20 10 DGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1c([O-])cccc1Br ZINC000707146665 660893565 /nfs/dbraw/zinc/89/35/65/660893565.db2.gz QDPJWOLCPRYMHV-QWRGUYRKSA-N -1 3 314.223 3.154 20 10 DGCDHM O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cccc(O)c1[O-] ZINC000187209260 660968341 /nfs/dbraw/zinc/96/83/41/660968341.db2.gz BKEPUSPZUQHEJB-UHFFFAOYSA-N -1 3 319.267 3.164 20 10 DGCDHM CC(C)C[C@H](C)n1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000792803778 660985534 /nfs/dbraw/zinc/98/55/34/660985534.db2.gz WLBSZIUELOPPGK-NSHDSACASA-N -1 3 303.362 3.154 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCC(F)(F)Br ZINC000308923853 655759542 /nfs/dbraw/zinc/75/95/42/655759542.db2.gz JUBKJHNDIRYSLV-UHFFFAOYSA-N -1 3 300.530 3.123 20 10 DGCDHM COC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000307764782 655996443 /nfs/dbraw/zinc/99/64/43/655996443.db2.gz NSXJDAMYHGQMLV-CQSZACIVSA-N -1 3 311.809 3.249 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1F)C1CC1 ZINC000186791537 656133470 /nfs/dbraw/zinc/13/34/70/656133470.db2.gz UMRBLIKCZMMJFR-UHFFFAOYSA-N -1 3 301.317 3.042 20 10 DGCDHM O=C(N[C@H]1CCSc2ccccc21)c1cccc(O)c1[O-] ZINC000186785476 656133507 /nfs/dbraw/zinc/13/35/07/656133507.db2.gz QYZXYPZSCMXEOR-LBPRGKRZSA-N -1 3 301.367 3.065 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCc2c1cccc2C(F)(F)F ZINC000189922999 659184888 /nfs/dbraw/zinc/18/48/88/659184888.db2.gz GGHAVNVNQBAIMZ-UHFFFAOYSA-N -1 3 323.270 3.320 20 10 DGCDHM O=C(Nc1cc(C(F)(F)F)ccc1O)c1cccc(O)c1[O-] ZINC000192991261 662119899 /nfs/dbraw/zinc/11/98/99/662119899.db2.gz RMQHWJBXIVTYCX-UHFFFAOYSA-N -1 3 313.231 3.075 20 10 DGCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000092486740 662331943 /nfs/dbraw/zinc/33/19/43/662331943.db2.gz LJWNGPQPPDATNA-GWCFXTLKSA-N -1 3 314.223 3.154 20 10 DGCDHM COC(=O)[C@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093813770 662359803 /nfs/dbraw/zinc/35/98/03/662359803.db2.gz SGZBUUOLIWXKHV-CQSZACIVSA-N -1 3 318.200 3.084 20 10 DGCDHM [O-]c1c(CN(Cc2cn[nH]n2)C2CCCCC2)ccc(F)c1F ZINC001578051444 1191921328 /nfs/dbraw/zinc/92/13/28/1191921328.db2.gz MSQAZPYLRHFIQO-UHFFFAOYSA-N -1 3 322.359 3.123 20 10 DGCDHM Cc1ccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)c(O)c1 ZINC001331728512 1178274921 /nfs/dbraw/zinc/27/49/21/1178274921.db2.gz OBLUPAIZRQHBSJ-UHFFFAOYSA-N -1 3 315.398 3.043 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1c(F)cc(F)cc1F ZINC001621061366 1192998244 /nfs/dbraw/zinc/99/82/44/1192998244.db2.gz KLFIFHRQJGBWQU-UHFFFAOYSA-N -1 3 303.230 3.378 20 10 DGCDHM CCCC[N@H+](Cc1ccc(C(=O)[O-])n1C)Cc1ccccc1[O-] ZINC001605278138 1193139747 /nfs/dbraw/zinc/13/97/47/1193139747.db2.gz NLTRQPOXWMCXIW-UHFFFAOYSA-N -1 3 316.401 3.231 20 10 DGCDHM CCCC[N@@H+](Cc1ccc(C(=O)[O-])n1C)Cc1ccccc1[O-] ZINC001605278138 1193139750 /nfs/dbraw/zinc/13/97/50/1193139750.db2.gz NLTRQPOXWMCXIW-UHFFFAOYSA-N -1 3 316.401 3.231 20 10 DGCDHM Cc1ccc(NC2CC2)c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001456030961 1182394854 /nfs/dbraw/zinc/39/48/54/1182394854.db2.gz UHJLVXQTQBYWND-UHFFFAOYSA-N -1 3 314.360 3.344 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(OC(F)F)cc1 ZINC001456093714 1182397211 /nfs/dbraw/zinc/39/72/11/1182397211.db2.gz NOYCNOBLJZAUKW-UHFFFAOYSA-N -1 3 311.259 3.063 20 10 DGCDHM COCCN(Cc1ccc(C)o1)Cc1cc(F)c(F)cc1[O-] ZINC001461905912 1182874038 /nfs/dbraw/zinc/87/40/38/1182874038.db2.gz IMXXTTQVLLEJBN-UHFFFAOYSA-N -1 3 311.328 3.220 20 10 DGCDHM COCC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCCCC1 ZINC001606840785 1193205959 /nfs/dbraw/zinc/20/59/59/1193205959.db2.gz KTZWNXJAUZFHLV-ZDUSSCGKSA-N -1 3 321.417 3.338 20 10 DGCDHM CCn1c2ccc(C)cc2nc1NC(=O)c1cccc(O)c1[O-] ZINC001466404291 1183202576 /nfs/dbraw/zinc/20/25/76/1183202576.db2.gz NEASAAQYRZOPLP-UHFFFAOYSA-N -1 3 311.341 3.028 20 10 DGCDHM COc1cc(C)c(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001607148600 1193215618 /nfs/dbraw/zinc/21/56/18/1193215618.db2.gz KFWSPWVDZCLHSD-ZDUSSCGKSA-N -1 3 321.417 3.032 20 10 DGCDHM COc1cc(C)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001607148600 1193215622 /nfs/dbraw/zinc/21/56/22/1193215622.db2.gz KFWSPWVDZCLHSD-ZDUSSCGKSA-N -1 3 321.417 3.032 20 10 DGCDHM CC1(C)[C@@H](CNC(=O)c2cccc(O)c2[O-])[C@@H]1c1ccccc1 ZINC001468836019 1183363271 /nfs/dbraw/zinc/36/32/71/1183363271.db2.gz COROLWDIXJJJMO-HOCLYGCPSA-N -1 3 311.381 3.267 20 10 DGCDHM O=C(NCCOC1CCCCCC1)NCc1c([O-])cccc1F ZINC001468838910 1183363720 /nfs/dbraw/zinc/36/37/20/1183363720.db2.gz YGCWKHCIGXWCJD-UHFFFAOYSA-N -1 3 324.396 3.070 20 10 DGCDHM Cc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)o1 ZINC001469541560 1183416342 /nfs/dbraw/zinc/41/63/42/1183416342.db2.gz GCSZBAXVQRSMLT-GFCCVEGCSA-N -1 3 315.247 3.033 20 10 DGCDHM O=C(NCc1cscc1Cl)NCc1c([O-])cccc1F ZINC001471357593 1183558285 /nfs/dbraw/zinc/55/82/85/1183558285.db2.gz FJJZKGCILFBHRH-UHFFFAOYSA-N -1 3 314.769 3.246 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC001471975799 1183604355 /nfs/dbraw/zinc/60/43/55/1183604355.db2.gz HXHJRZAJCAXQPF-CMPLNLGQSA-N -1 3 321.298 3.229 20 10 DGCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCc2ccccc2C1 ZINC001471975823 1183604459 /nfs/dbraw/zinc/60/44/59/1183604459.db2.gz ISGSCAAHPJGAPY-IBGZPJMESA-N -1 3 313.372 3.343 20 10 DGCDHM CN(C)C(=O)Nc1cccc(NCc2cccc(F)c2[O-])c1 ZINC001621341702 1193232001 /nfs/dbraw/zinc/23/20/01/1193232001.db2.gz WMZYXFUENVOJNO-UHFFFAOYSA-N -1 3 303.337 3.237 20 10 DGCDHM C[C@H](CC(=O)NCc1c([O-])cccc1F)c1ccccc1F ZINC001471974628 1183604542 /nfs/dbraw/zinc/60/45/42/1183604542.db2.gz IHMQQDLTKUJEJQ-LLVKDONJSA-N -1 3 305.324 3.480 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(F)(F)CC[C@@H]2C)c1[O-] ZINC001473880190 1183817893 /nfs/dbraw/zinc/81/78/93/1183817893.db2.gz SXRJFSSEQRDVIE-VIFPVBQESA-N -1 3 301.308 3.354 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H](CO)c1ccc(Cl)cc1 ZINC001474227275 1183885428 /nfs/dbraw/zinc/88/54/28/1183885428.db2.gz SIVLRQCKVCJVMQ-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM C=C/C=C\CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC001615936008 1193531115 /nfs/dbraw/zinc/53/11/15/1193531115.db2.gz YLVDFCWAHIUBSS-PLNGDYQASA-N -1 3 309.793 3.153 20 10 DGCDHM CC(C)N(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC001542391799 1188283657 /nfs/dbraw/zinc/28/36/57/1188283657.db2.gz OQIANMDMGNLUOS-UHFFFAOYSA-N -1 3 303.333 3.288 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cnc(-c2ccco2)s1 ZINC001558454788 1189126141 /nfs/dbraw/zinc/12/61/41/1189126141.db2.gz MGDLGMVICSCAMA-UHFFFAOYSA-N -1 3 318.329 3.178 20 10 DGCDHM Cn1c2ccccc2nc1CNCc1c([O-])cccc1Cl ZINC001560313130 1189309796 /nfs/dbraw/zinc/30/97/96/1189309796.db2.gz IQSIOZOAAIMUJQ-UHFFFAOYSA-N -1 3 301.777 3.222 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN[C@@H](c1nc[nH]n1)c1ccccc1 ZINC001560742180 1189372956 /nfs/dbraw/zinc/37/29/56/1189372956.db2.gz ULDRGSQSVQKMKB-OAHLLOKOSA-N -1 3 314.776 3.043 20 10 DGCDHM CCOCc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001562315000 1189479612 /nfs/dbraw/zinc/47/96/12/1189479612.db2.gz ZMZWGZRGBMWGJS-UHFFFAOYSA-N -1 3 318.348 3.390 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1C[C@H]1C1CCCC1 ZINC001565481154 1189649037 /nfs/dbraw/zinc/64/90/37/1189649037.db2.gz HWFWONKZMARMBR-OLZOCXBDSA-N -1 3 306.381 3.157 20 10 DGCDHM O=C(N[C@@H]1CCCc2c(F)cccc21)c1cccc(O)c1[O-] ZINC001569845975 1190762539 /nfs/dbraw/zinc/76/25/39/1190762539.db2.gz LWZFMMFLSFXTIZ-CQSZACIVSA-N -1 3 301.317 3.044 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCc2sc(Cl)cc2C1 ZINC001570695703 1190919943 /nfs/dbraw/zinc/91/99/43/1190919943.db2.gz VVKZMRRFOVUDIJ-UHFFFAOYSA-N -1 3 309.774 3.011 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC(Cc2ccc(F)cc2)C1 ZINC001621379706 1193836072 /nfs/dbraw/zinc/83/60/72/1193836072.db2.gz DJKIBFAJHAKIOY-UHFFFAOYSA-N -1 3 307.315 3.484 20 10 DGCDHM Cn1cc(NCc2cc(F)c(F)cc2[O-])c(-c2ccco2)n1 ZINC001621444538 1193843631 /nfs/dbraw/zinc/84/36/31/1193843631.db2.gz QRLUAGKGUOIHEZ-UHFFFAOYSA-N -1 3 305.284 3.276 20 10 DGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)c(F)c1 ZINC001624238583 1193988248 /nfs/dbraw/zinc/98/82/48/1193988248.db2.gz HMIXEEICXVBOAT-AWEZNQCLSA-N -1 3 303.333 3.426 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001634725104 1194512012 /nfs/dbraw/zinc/51/20/12/1194512012.db2.gz NWQRQMZRXCLPKL-DOMZBBRYSA-N -1 3 318.323 3.026 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c(F)cc1Cl ZINC001635360923 1194546784 /nfs/dbraw/zinc/54/67/84/1194546784.db2.gz UJJVMFIXVFLKRD-UHFFFAOYSA-N -1 3 315.678 3.393 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c(F)c(F)c1F ZINC001635360971 1194547009 /nfs/dbraw/zinc/54/70/09/1194547009.db2.gz URDCTHUOHBNFTB-UHFFFAOYSA-N -1 3 317.213 3.018 20 10 DGCDHM COc1cccc([O-])c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001635969422 1194583306 /nfs/dbraw/zinc/58/33/06/1194583306.db2.gz QAHDMCISDXSIIN-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM O=C(CCCc1ccc(F)c(F)c1)NCc1c([O-])cccc1F ZINC001638864390 1194741379 /nfs/dbraw/zinc/74/13/79/1194741379.db2.gz ZDOFQLWZPPRUKJ-UHFFFAOYSA-N -1 3 323.314 3.449 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2ccccc2)on1 ZINC001646028355 1195211768 /nfs/dbraw/zinc/21/17/68/1195211768.db2.gz GPHKNPUZLZGMFS-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM COc1cc(CN(C)Cc2cc(F)cc(F)c2[O-])cc(OC)c1 ZINC001651810345 1195512404 /nfs/dbraw/zinc/51/24/04/1195512404.db2.gz AGWSMMFDFBVWEA-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1c[nH]nc1-c1ccccn1 ZINC001652077466 1195544827 /nfs/dbraw/zinc/54/48/27/1195544827.db2.gz PLBCQWREYDHAMV-UHFFFAOYSA-N -1 3 300.749 3.443 20 10 DGCDHM COC(=O)[C@H]1CCCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001652158914 1195555540 /nfs/dbraw/zinc/55/55/40/1195555540.db2.gz OGGYOVQANBJBAL-CQSZACIVSA-N -1 3 311.809 3.272 20 10 DGCDHM C[C@H](CSC(F)(F)F)C(=O)NCc1c([O-])cccc1F ZINC001652298992 1195577829 /nfs/dbraw/zinc/57/78/29/1195577829.db2.gz XPJAERGZTSIXNB-SSDOTTSWSA-N -1 3 311.300 3.037 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1cnn(-c2ccccc2)c1 ZINC001655243745 1195895332 /nfs/dbraw/zinc/89/53/32/1195895332.db2.gz KBDAKNHLCCDYOJ-UHFFFAOYSA-N -1 3 315.323 3.146 20 10 DGCDHM O=c1cc[nH]c2cc(NCc3c([O-])cccc3Cl)ccc12 ZINC001656221625 1196019762 /nfs/dbraw/zinc/01/97/62/1196019762.db2.gz VUUAJORSUMJBBH-UHFFFAOYSA-N -1 3 300.745 3.499 20 10 DGCDHM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[O-] ZINC001659756722 1196411738 /nfs/dbraw/zinc/41/17/38/1196411738.db2.gz ZIIIYNULHKZYFI-QPUJVOFHSA-N -1 3 309.715 3.197 20 10 DGCDHM CCn1cnc(Cl)c1CNCc1cccc(Cl)c1[O-] ZINC001663442144 1196868745 /nfs/dbraw/zinc/86/87/45/1196868745.db2.gz KROKIZZEUWLNIL-UHFFFAOYSA-N -1 3 300.189 3.205 20 10 DGCDHM Cn1ccnc1[C@H]1N(Cc2ccc(Cl)cc2[O-])CC1(C)C ZINC001664780472 1197056070 /nfs/dbraw/zinc/05/60/70/1197056070.db2.gz DWQCRSFJNLNWFR-CQSZACIVSA-N -1 3 305.809 3.362 20 10 DGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])c2ccccc2C(=O)N1 ZINC001664905968 1197078772 /nfs/dbraw/zinc/07/87/72/1197078772.db2.gz KLAOBWZQEHGQKM-NSHDSACASA-N -1 3 316.788 3.184 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCc2cc(F)ccc21 ZINC001677311641 1198514084 /nfs/dbraw/zinc/51/40/84/1198514084.db2.gz JUAVHDJMTBCURT-HNNXBMFYSA-N -1 3 318.323 3.157 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NCC(F)(F)c1ccccc1 ZINC001686688693 1199581503 /nfs/dbraw/zinc/58/15/03/1199581503.db2.gz HHPSKJQFDLEIQO-UHFFFAOYSA-N -1 3 324.302 3.123 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CC2CCC1CC2 ZINC001686863620 1199594749 /nfs/dbraw/zinc/59/47/49/1199594749.db2.gz RSQHKDAKYHIQCH-BPCQOVAHSA-N -1 3 306.381 3.157 20 10 DGCDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c1 ZINC000235853686 1202604823 /nfs/dbraw/zinc/60/48/23/1202604823.db2.gz OLOYZDPXEOKTPI-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(C)cc1O ZINC000235895320 1202604944 /nfs/dbraw/zinc/60/49/44/1202604944.db2.gz IPOMYNKYNFXMNW-UHFFFAOYSA-N -1 3 313.325 3.088 20 10 DGCDHM CC[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1[O-] ZINC001595301400 980437674 /nfs/dbraw/zinc/43/76/74/980437674.db2.gz ZDXYOECDIMXGHY-CYBMUJFWSA-N -1 3 320.776 3.380 20 10 DGCDHM CCOc1ccc(C[N@H+](C)C2(C(=O)[O-])CCCCC2)c([O-])c1 ZINC001597100370 986704506 /nfs/dbraw/zinc/70/45/06/986704506.db2.gz ICQKQXSJOYLSRS-UHFFFAOYSA-N -1 3 307.390 3.010 20 10 DGCDHM CCOc1ccc(C[N@@H+](C)C2(C(=O)[O-])CCCCC2)c([O-])c1 ZINC001597100370 986704513 /nfs/dbraw/zinc/70/45/13/986704513.db2.gz ICQKQXSJOYLSRS-UHFFFAOYSA-N -1 3 307.390 3.010 20 10 DGCDHM C[C@@H]([NH2+]Cc1cc(C(=O)[O-])c2n1CCCC2)c1ccccc1[O-] ZINC001599841596 988846651 /nfs/dbraw/zinc/84/66/51/988846651.db2.gz UWUQMCVKYGGERW-GFCCVEGCSA-N -1 3 314.385 3.079 20 10 DGCDHM C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225809 994350301 /nfs/dbraw/zinc/35/03/01/994350301.db2.gz YJQAKCYUCLTLPA-WBMJQRKESA-N -1 3 319.401 3.090 20 10 DGCDHM C[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234436 994402043 /nfs/dbraw/zinc/40/20/43/994402043.db2.gz ZZOUCERNYWKKEK-QLJPJBMISA-N -1 3 312.369 3.011 20 10 DGCDHM C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239605 994423440 /nfs/dbraw/zinc/42/34/40/994423440.db2.gz GRAPMOMELXVXAM-LBPRGKRZSA-N -1 3 314.385 3.114 20 10 DGCDHM C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240705 994430933 /nfs/dbraw/zinc/43/09/33/994430933.db2.gz ROKYGDGTACLLSJ-KPZWWZAWSA-N -1 3 321.417 3.072 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@]12CCOC2 ZINC001236799483 1099792718 /nfs/dbraw/zinc/79/27/18/1099792718.db2.gz OYAHVAWWTKQHOV-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM O=C(Nc1cc(-c2cccs2)on1)c1cccc(O)c1[O-] ZINC001648900387 1081956800 /nfs/dbraw/zinc/95/68/00/1081956800.db2.gz UJDKVLQNNUSJHH-UHFFFAOYSA-N -1 3 302.311 3.067 20 10 DGCDHM Cc1nc([C@@H]2CCCCN2Cc2ccc(Cl)cc2[O-])no1 ZINC001140466450 1082286739 /nfs/dbraw/zinc/28/67/39/1082286739.db2.gz GDEZCILHNRFPRT-ZDUSSCGKSA-N -1 3 307.781 3.464 20 10 DGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1(C2CC2)CC1 ZINC001183803401 1084036617 /nfs/dbraw/zinc/03/66/17/1084036617.db2.gz AMRTYOSDRWCSCJ-UHFFFAOYSA-N -1 3 316.788 3.400 20 10 DGCDHM O=[N+]([O-])c1cnc2ccccc2c1NCc1c([O-])cccc1F ZINC001164185610 1090366816 /nfs/dbraw/zinc/36/68/16/1090366816.db2.gz NUAZEFCWWYEPHJ-UHFFFAOYSA-N -1 3 313.288 3.022 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1Cc2ccncc2C1 ZINC001203642422 1090771761 /nfs/dbraw/zinc/77/17/61/1090771761.db2.gz GWYGJSWCOLXOLJ-UHFFFAOYSA-N -1 3 305.175 3.066 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1Cc2cccnc2C1 ZINC001203635794 1090771389 /nfs/dbraw/zinc/77/13/89/1090771389.db2.gz GSHJERFZERKUHZ-UHFFFAOYSA-N -1 3 305.175 3.066 20 10 DGCDHM CCCCOC1CN(Cc2cc(Br)ccc2[O-])C1 ZINC001203642487 1090771963 /nfs/dbraw/zinc/77/19/63/1090771963.db2.gz JVRYYTDHVZYSJO-UHFFFAOYSA-N -1 3 314.223 3.156 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](c2ccncn2)C1 ZINC001204852007 1091048495 /nfs/dbraw/zinc/04/84/95/1091048495.db2.gz UNNLAHQAIZODKV-NSHDSACASA-N -1 3 321.783 3.354 20 10 DGCDHM COC(=O)Cc1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001205380541 1091206379 /nfs/dbraw/zinc/20/63/79/1091206379.db2.gz UOYIDVBDDIKART-UHFFFAOYSA-N -1 3 305.761 3.373 20 10 DGCDHM CCN(Cc1ccncc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139126274 1091456895 /nfs/dbraw/zinc/45/68/95/1091456895.db2.gz DFGPDJRWGUQYER-UHFFFAOYSA-N -1 3 324.380 3.224 20 10 DGCDHM Cc1cnnn1-c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001206430005 1091628667 /nfs/dbraw/zinc/62/86/67/1091628667.db2.gz OOHWQMSYPFLRTO-UHFFFAOYSA-N -1 3 316.311 3.172 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001140060004 1091754325 /nfs/dbraw/zinc/75/43/25/1091754325.db2.gz FXLRNKRUHPJICB-ZDUSSCGKSA-N -1 3 315.270 3.388 20 10 DGCDHM CN(Cc1c([O-])cccc1Br)C1CC(F)(F)C1 ZINC001140098577 1091766643 /nfs/dbraw/zinc/76/66/43/1091766643.db2.gz FXJNVUHSCKSOTJ-UHFFFAOYSA-N -1 3 306.150 3.384 20 10 DGCDHM COC(=O)c1cccc2c1CN(Cc1c([O-])cccc1Cl)C2 ZINC001140341405 1091835668 /nfs/dbraw/zinc/83/56/68/1091835668.db2.gz MNZUHFHBOOLBIP-UHFFFAOYSA-N -1 3 317.772 3.348 20 10 DGCDHM COC(=O)CCN(Cc1ccco1)Cc1c([O-])cccc1Cl ZINC001140345818 1091837406 /nfs/dbraw/zinc/83/74/06/1091837406.db2.gz ZHRMDYFQUGIQSC-UHFFFAOYSA-N -1 3 323.776 3.204 20 10 DGCDHM COc1cc(CN(C)Cc2cc(Cl)c(C)cc2[O-])sn1 ZINC001207664816 1092062116 /nfs/dbraw/zinc/06/21/16/1092062116.db2.gz AKYRXTJNXLDOLH-UHFFFAOYSA-N -1 3 312.822 3.451 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2cc(F)c([O-])c(F)c2)cc1 ZINC001140991946 1092097654 /nfs/dbraw/zinc/09/76/54/1092097654.db2.gz GZQHFKQFJNVBNE-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM CCC[C@@H](C)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])n[nH]1 ZINC001299914854 1092176488 /nfs/dbraw/zinc/17/64/88/1092176488.db2.gz FRQYRQFRUYFOIV-SECBINFHSA-N -1 3 303.362 3.285 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCCC(F)(F)C1 ZINC000404960927 1094277174 /nfs/dbraw/zinc/27/71/74/1094277174.db2.gz VGGQSKZTSCWIBZ-UHFFFAOYSA-N -1 3 306.150 3.386 20 10 DGCDHM Cc1cnccc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216952071 1094283587 /nfs/dbraw/zinc/28/35/87/1094283587.db2.gz SGHRAPRQWVYTCQ-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM C[C@@H](NCc1cc(Br)ccc1[O-])c1cscn1 ZINC000697935121 1095052465 /nfs/dbraw/zinc/05/24/65/1095052465.db2.gz IKINGCNWOSKJPR-MRVPVSSYSA-N -1 3 313.220 3.462 20 10 DGCDHM C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1[O-] ZINC000316072257 1095156627 /nfs/dbraw/zinc/15/66/27/1095156627.db2.gz HPTQYJHBTKGKFX-VIFPVBQESA-N -1 3 302.305 3.035 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CC2CC(C2)C1 ZINC001144307574 1095602333 /nfs/dbraw/zinc/60/23/33/1095602333.db2.gz AISOREOKGHTRDV-UHFFFAOYSA-N -1 3 300.171 3.136 20 10 DGCDHM O=C(Nc1ccc(C2CCOCC2)cc1)c1cccc(O)c1[O-] ZINC001148219071 1096328698 /nfs/dbraw/zinc/32/86/98/1096328698.db2.gz QTVONBSJQWTWFY-UHFFFAOYSA-N -1 3 313.353 3.244 20 10 DGCDHM COc1ccc(CNC(=O)c2cccc(O)c2[O-])c2ccccc12 ZINC001148224806 1096329936 /nfs/dbraw/zinc/32/99/36/1096329936.db2.gz VSJUERIGSNSECT-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM O=C(Nc1ccc2cc(F)ccc2c1)c1cc(O)c([O-])c(O)c1 ZINC001148585922 1096407055 /nfs/dbraw/zinc/40/70/55/1096407055.db2.gz FAMTYMYUUVDCST-UHFFFAOYSA-N -1 3 313.284 3.348 20 10 DGCDHM O=c1c(NCc2cc3ccccc3cc2[O-])ccnn1CC1CC1 ZINC001171406715 1096676425 /nfs/dbraw/zinc/67/64/25/1096676425.db2.gz DCUPDLUVGRERAB-UHFFFAOYSA-N -1 3 321.380 3.124 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1C1CCCCC1 ZINC001229184407 1097272815 /nfs/dbraw/zinc/27/28/15/1097272815.db2.gz FDNCLHRUOCISCY-SWLSCSKDSA-N -1 3 306.381 3.299 20 10 DGCDHM CN1CCN(Cc2ccc(F)c(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001233077690 1098220839 /nfs/dbraw/zinc/22/08/39/1098220839.db2.gz WPSLSHNTCDAVID-MRXNPFEDSA-N -1 3 318.367 3.159 20 10 DGCDHM Cc1ccnn1C1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336256 1098294714 /nfs/dbraw/zinc/29/47/14/1098294714.db2.gz FOFXMGHQVGOBTR-UHFFFAOYSA-N -1 3 307.344 3.012 20 10 DGCDHM Cc1cc(CN(C)Cc2cccc(C(F)(F)F)c2[O-])n(C)n1 ZINC001233418084 1098323937 /nfs/dbraw/zinc/32/39/37/1098323937.db2.gz SMFUJUADHFEBPH-UHFFFAOYSA-N -1 3 313.323 3.085 20 10 DGCDHM [O-]c1c(CN2CC3(C2)C[C@@H](F)CS3)cccc1C(F)(F)F ZINC001233419319 1098325043 /nfs/dbraw/zinc/32/50/43/1098325043.db2.gz TVMYPBJSCXKWJP-SNVBAGLBSA-N -1 3 321.339 3.440 20 10 DGCDHM CC1(C)CN(Cc2ccc(C(F)(F)F)cc2[O-])CCC1=O ZINC001233454610 1098341770 /nfs/dbraw/zinc/34/17/70/1098341770.db2.gz BVJZXSBLFOCTPA-UHFFFAOYSA-N -1 3 301.308 3.212 20 10 DGCDHM COc1c(OC2CC2)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O ZINC001234131234 1098501167 /nfs/dbraw/zinc/50/11/67/1098501167.db2.gz MYVVSXLEVRAAHU-UHFFFAOYSA-N -1 3 324.332 3.026 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCSc2ccccc21 ZINC001178413082 1098828382 /nfs/dbraw/zinc/82/83/82/1098828382.db2.gz NKTWOFMJSQUIHO-LBPRGKRZSA-N -1 3 317.385 3.427 20 10 DGCDHM Cn1c2cc(F)ccc2nc1NCc1cc(F)cc(F)c1[O-] ZINC001179811466 1099210631 /nfs/dbraw/zinc/21/06/31/1099210631.db2.gz WLIXGBAQCQEDOQ-UHFFFAOYSA-N -1 3 307.275 3.308 20 10 DGCDHM COC(=O)c1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])cc1 ZINC001180035009 1099287951 /nfs/dbraw/zinc/28/79/51/1099287951.db2.gz PIURPVDACUCBNG-UHFFFAOYSA-N -1 3 321.323 3.089 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@@]1(C)O ZINC001236792029 1099789022 /nfs/dbraw/zinc/78/90/22/1099789022.db2.gz AKIGPRQDPCLQOS-YMTOWFKASA-N -1 3 304.217 3.292 20 10 DGCDHM CCOC(=O)[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236797052 1099789946 /nfs/dbraw/zinc/78/99/46/1099789946.db2.gz UAGHXZNPYMXCTC-VIFPVBQESA-N -1 3 318.200 3.084 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@](O)(CF)CC1 ZINC001236794494 1099790169 /nfs/dbraw/zinc/79/01/69/1099790169.db2.gz SFFGYKSWBRAODA-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM COc1cc([O-])c(CN2CCOc3ccccc3C2)c(Cl)c1 ZINC001236800383 1099793131 /nfs/dbraw/zinc/79/31/31/1099793131.db2.gz VZNARDGUGUDOIM-UHFFFAOYSA-N -1 3 319.788 3.449 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC2(CC1)OCCO2 ZINC001237079356 1099958580 /nfs/dbraw/zinc/95/85/80/1099958580.db2.gz KDSYFJNNWLOIBG-UHFFFAOYSA-N -1 3 318.200 3.038 20 10 DGCDHM O=C1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001237080612 1099958625 /nfs/dbraw/zinc/95/86/25/1099958625.db2.gz URWUOWLUTAIMEM-DTORHVGOSA-N -1 3 300.185 3.395 20 10 DGCDHM CCN(CCn1ccnc1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237086844 1099963156 /nfs/dbraw/zinc/96/31/56/1099963156.db2.gz PEGDIBRVCPIRDZ-UHFFFAOYSA-N -1 3 314.216 3.418 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CCc2cc(O)ccc2C1 ZINC001237122922 1099981871 /nfs/dbraw/zinc/98/18/71/1099981871.db2.gz FPCSFLVTYIIKEF-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM O=C1c2ccccc2C(=O)c2cc(Nc3cncc([O-])c3)ccc21 ZINC001201635752 1102667239 /nfs/dbraw/zinc/66/72/39/1102667239.db2.gz ISWJITNLZBAFHG-UHFFFAOYSA-N -1 3 316.316 3.306 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](C(F)(F)F)CC1 ZINC000687289370 1103092429 /nfs/dbraw/zinc/09/24/29/1103092429.db2.gz SAEQVYGQVDMKBQ-GFCCVEGCSA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1cc(CN2Cc3cccnc3C2)c([O-])cc1Br ZINC001250120605 1105446482 /nfs/dbraw/zinc/44/64/82/1105446482.db2.gz KMEOHNQQCVYPKQ-UHFFFAOYSA-N -1 3 319.202 3.374 20 10 DGCDHM Cc1cc(CN2CC(OC(C)C)C2)c([O-])cc1Br ZINC001250133680 1105450182 /nfs/dbraw/zinc/45/01/82/1105450182.db2.gz PHHGVULUHRIHTL-UHFFFAOYSA-N -1 3 314.223 3.072 20 10 DGCDHM CC(C)S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC001252508431 1105786247 /nfs/dbraw/zinc/78/62/47/1105786247.db2.gz QHJRLKDARWJUMH-UHFFFAOYSA-N -1 3 303.383 3.068 20 10 DGCDHM CC(C)C1(O)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001474749501 1107116512 /nfs/dbraw/zinc/11/65/12/1107116512.db2.gz MCLJQNHEJOIVKA-UHFFFAOYSA-N -1 3 301.789 3.168 20 10 DGCDHM O=C(c1cc2sccc2c([O-])c1)N1Cc2cccc(O)c2C1 ZINC001302785963 1111125535 /nfs/dbraw/zinc/12/55/35/1111125535.db2.gz BPYYUFOIRUBWKD-UHFFFAOYSA-N -1 3 311.362 3.469 20 10 DGCDHM O=C(Cc1cccc(C(F)F)c1)NCc1c([O-])cccc1F ZINC001303875358 1111156386 /nfs/dbraw/zinc/15/63/86/1111156386.db2.gz FPMQFJCHIWHHFB-UHFFFAOYSA-N -1 3 309.287 3.328 20 10 DGCDHM COC(=O)CCc1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001308679619 1111459500 /nfs/dbraw/zinc/45/95/00/1111459500.db2.gz KAESTJWUCZALNH-UHFFFAOYSA-N -1 3 321.323 3.388 20 10 DGCDHM Cc1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cs1 ZINC000072952780 191255081 /nfs/dbraw/zinc/25/50/81/191255081.db2.gz FMUPWKWGLSGMPP-INIZCTEOSA-N -1 3 318.442 3.338 20 10 DGCDHM Cc1cc(Cl)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000179672097 432066619 /nfs/dbraw/zinc/06/66/19/432066619.db2.gz ITGNCHVARGRTTA-UHFFFAOYSA-N -1 3 324.852 3.044 20 10 DGCDHM COc1cc(C)cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273502017 130128848 /nfs/dbraw/zinc/12/88/48/130128848.db2.gz QGNFCWKFVCEKRI-GFCCVEGCSA-N -1 3 316.357 3.468 20 10 DGCDHM COCc1cccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273540921 130133221 /nfs/dbraw/zinc/13/32/21/130133221.db2.gz YHLYNGOXCIYOPI-GFCCVEGCSA-N -1 3 315.369 3.498 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccc(OCCCO)cc1 ZINC000285550507 131180770 /nfs/dbraw/zinc/18/07/70/131180770.db2.gz RKQNGQFICBPOSR-UHFFFAOYSA-N -1 3 307.777 3.419 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289238478 131367585 /nfs/dbraw/zinc/36/75/85/131367585.db2.gz DLWJZXKUAABADK-MWLCHTKSSA-N -1 3 323.742 3.038 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccc[nH]2)c1[O-] ZINC000079400262 400863589 /nfs/dbraw/zinc/86/35/89/400863589.db2.gz XJHMJQAAMQPDTH-INIZCTEOSA-N -1 3 302.349 3.399 20 10 DGCDHM CC[C@@H](NCc1nnc2n1CCCC2)c1cccc(Cl)c1[O-] ZINC000287599350 286913966 /nfs/dbraw/zinc/91/39/66/286913966.db2.gz INJZDIOLWBNJPK-CYBMUJFWSA-N -1 3 320.824 3.214 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCN(c2cccc(O)c2)CC1 ZINC000179621338 228352580 /nfs/dbraw/zinc/35/25/80/228352580.db2.gz PAWXITJXJSSBFS-UHFFFAOYSA-N -1 3 318.804 3.073 20 10 DGCDHM Cc1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cs1 ZINC000072952781 431359153 /nfs/dbraw/zinc/35/91/53/431359153.db2.gz FMUPWKWGLSGMPP-MRXNPFEDSA-N -1 3 318.442 3.338 20 10 DGCDHM CN(Cc1cnc([C@H]2CCCO2)s1)Cc1ccccc1[O-] ZINC000271120243 432332514 /nfs/dbraw/zinc/33/25/14/432332514.db2.gz HGBHQNNTGGXGCZ-OAHLLOKOSA-N -1 3 304.415 3.332 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)c1cccc(OC)c1 ZINC000193094055 432448291 /nfs/dbraw/zinc/44/82/91/432448291.db2.gz ADVJFHOGMRHLNZ-LBPRGKRZSA-N -1 3 315.369 3.330 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](CCO)c2ccco2)c1[O-] ZINC000185125883 432469167 /nfs/dbraw/zinc/46/91/67/432469167.db2.gz FVVNGOGHSBKQEP-AWEZNQCLSA-N -1 3 323.776 3.055 20 10 DGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)c([O-])c1O ZINC000177667042 432647951 /nfs/dbraw/zinc/64/79/51/432647951.db2.gz ZDBSOZGLJQAJKZ-OAHLLOKOSA-N -1 3 311.381 3.254 20 10 DGCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](c2ccco2)C1 ZINC000187157597 432650073 /nfs/dbraw/zinc/65/00/73/432650073.db2.gz JWBDRVNOCFDWHH-WCQYABFASA-N -1 3 301.342 3.304 20 10 DGCDHM CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187806207 432686577 /nfs/dbraw/zinc/68/65/77/432686577.db2.gz GNOBSLMEPCDPTE-SNVBAGLBSA-N -1 3 323.387 3.380 20 10 DGCDHM CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)Cc1ccccc1[O-] ZINC000245824113 432863842 /nfs/dbraw/zinc/86/38/42/432863842.db2.gz XHNCOTVHSFCCDD-DOTOQJQBSA-N -1 3 316.445 3.005 20 10 DGCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000280662866 433128780 /nfs/dbraw/zinc/12/87/80/433128780.db2.gz XPUSAJZCONXROI-UHFFFAOYSA-N -1 3 321.398 3.154 20 10 DGCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1[O-] ZINC000375358931 433436777 /nfs/dbraw/zinc/43/67/77/433436777.db2.gz ZDCQMYRNLVNSIV-GFCCVEGCSA-N -1 3 307.781 3.114 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000375355815 433436884 /nfs/dbraw/zinc/43/68/84/433436884.db2.gz XQKPAJSBXYMPIX-LBPRGKRZSA-N -1 3 322.206 3.215 20 10 DGCDHM C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552663 433616329 /nfs/dbraw/zinc/61/63/29/433616329.db2.gz XIZHIDGLKOVDGZ-NOZJJQNGSA-N -1 3 307.344 3.132 20 10 DGCDHM Cc1nc([C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000362385746 433675816 /nfs/dbraw/zinc/67/58/16/433675816.db2.gz HADMGNHQERVOFM-NSHDSACASA-N -1 3 307.781 3.117 20 10 DGCDHM CN1CCCc2cc(CNCc3c(F)ccc([O-])c3F)ccc21 ZINC000294440006 434114980 /nfs/dbraw/zinc/11/49/80/434114980.db2.gz XTJHROAUUHNDOZ-UHFFFAOYSA-N -1 3 318.367 3.343 20 10 DGCDHM COc1ccc(C(=O)NCc2c(C)c3ccccc3n2C)c([O-])c1 ZINC000436846630 434136409 /nfs/dbraw/zinc/13/64/09/434136409.db2.gz IELAHTHBQIWJPS-UHFFFAOYSA-N -1 3 324.380 3.131 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000365260152 434296803 /nfs/dbraw/zinc/29/68/03/434296803.db2.gz SNJAXTBBISBYLG-JTQLQIEISA-N -1 3 309.772 3.287 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](Cc2ccccc2)C1 ZINC000366150889 434343738 /nfs/dbraw/zinc/34/37/38/434343738.db2.gz GCLFOKKAMYHLER-OAHLLOKOSA-N -1 3 311.381 3.193 20 10 DGCDHM C[C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2c([O-])cccc21 ZINC000492613105 299912970 /nfs/dbraw/zinc/91/29/70/299912970.db2.gz CEMQBGOWOXHRQK-FJOGCWAESA-N -1 3 312.344 3.480 20 10 DGCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1c1ccccc1 ZINC000185737806 533882909 /nfs/dbraw/zinc/88/29/09/533882909.db2.gz LWIFLQVGEYJTTD-ZFWWWQNUSA-N -1 3 311.381 3.364 20 10 DGCDHM CCn1cc(CNCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000265530736 523385934 /nfs/dbraw/zinc/38/59/34/523385934.db2.gz PRBFFVMLEZVSLB-UHFFFAOYSA-N -1 3 300.189 3.205 20 10 DGCDHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000179485883 526741250 /nfs/dbraw/zinc/74/12/50/526741250.db2.gz BICAIUDSZFLONO-SNVBAGLBSA-N -1 3 320.414 3.313 20 10 DGCDHM CCc1noc(CN(Cc2ccccc2[O-])C2CCCC2)n1 ZINC000731847107 574560389 /nfs/dbraw/zinc/56/03/89/574560389.db2.gz CWAUPOYRQUIPBH-UHFFFAOYSA-N -1 3 301.390 3.282 20 10 DGCDHM COc1ccc2nc(NC(=O)c3cc([O-])cs3)sc2c1 ZINC000731866635 574561163 /nfs/dbraw/zinc/56/11/63/574561163.db2.gz UXTYSHKVIGDPGR-UHFFFAOYSA-N -1 3 306.368 3.324 20 10 DGCDHM C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732275828 574569992 /nfs/dbraw/zinc/56/99/92/574569992.db2.gz CJCQNSZZZFFSDW-TZMCWYRMSA-N -1 3 316.426 3.019 20 10 DGCDHM O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000732276931 574570201 /nfs/dbraw/zinc/57/02/01/574570201.db2.gz WYWGROKRXWWGLC-DZGCQCFKSA-N -1 3 321.373 3.243 20 10 DGCDHM O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)c1cc([O-])cs1 ZINC000732277528 574570256 /nfs/dbraw/zinc/57/02/56/574570256.db2.gz JQWFQISGTDXCLQ-CZUORRHYSA-N -1 3 317.410 3.351 20 10 DGCDHM CC(C)COC[C@@H](NC(=O)c1cc([O-])cs1)c1ccco1 ZINC000732283172 574570575 /nfs/dbraw/zinc/57/05/75/574570575.db2.gz DSGRDGDRULQGHO-GFCCVEGCSA-N -1 3 309.387 3.190 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCCO[C@@H](c2ccccc2)C1 ZINC000732288358 574570723 /nfs/dbraw/zinc/57/07/23/574570723.db2.gz QNTKCJYKECPUOX-CQSZACIVSA-N -1 3 303.383 3.058 20 10 DGCDHM O=C(NC[C@H](O)c1ccc2ccccc2c1)c1cc([O-])cs1 ZINC000732290785 574571166 /nfs/dbraw/zinc/57/11/66/574571166.db2.gz AYPTULDOSPMILM-HNNXBMFYSA-N -1 3 313.378 3.070 20 10 DGCDHM CCOc1ccc(C(C)=O)cc1COC(=O)c1cc([O-])cs1 ZINC000732355017 574572348 /nfs/dbraw/zinc/57/23/48/574572348.db2.gz ZXDRVEAKTWBOJE-UHFFFAOYSA-N -1 3 320.366 3.412 20 10 DGCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000736294684 574740361 /nfs/dbraw/zinc/74/03/61/574740361.db2.gz NWAIHJOWBNMLMQ-AWEZNQCLSA-N -1 3 321.417 3.225 20 10 DGCDHM CC(C)(C)c1cc(O)c([O-])c(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1 ZINC000736294684 574740362 /nfs/dbraw/zinc/74/03/62/574740362.db2.gz NWAIHJOWBNMLMQ-AWEZNQCLSA-N -1 3 321.417 3.225 20 10 DGCDHM [O-]c1ccccc1CN(C[C@H]1CCCO1)CC(F)(F)C(F)F ZINC000736618514 574760202 /nfs/dbraw/zinc/76/02/02/574760202.db2.gz FUHYZXFWJAWBQD-GFCCVEGCSA-N -1 3 321.314 3.274 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000736723867 574804033 /nfs/dbraw/zinc/80/40/33/574804033.db2.gz BKILABHFKKRACS-GFCCVEGCSA-N -1 3 305.374 3.298 20 10 DGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C)c1 ZINC000740701104 574939742 /nfs/dbraw/zinc/93/97/42/574939742.db2.gz RWHCYIGCIVSZMI-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM O=C(Nc1cc(CCc2ccccc2)[nH]n1)c1cc([O-])cs1 ZINC000740928578 574945932 /nfs/dbraw/zinc/94/59/32/574945932.db2.gz OWAMEPYQZPLQQL-UHFFFAOYSA-N -1 3 313.382 3.214 20 10 DGCDHM Cc1cccc2c(CCNC(=O)c3cc([O-])cs3)c[nH]c21 ZINC000743549353 575056656 /nfs/dbraw/zinc/05/66/56/575056656.db2.gz PLPBOHFQYBQQPE-UHFFFAOYSA-N -1 3 300.383 3.216 20 10 DGCDHM C[C@@H](NC(=O)c1cc([O-])cs1)c1ccc(-n2cccn2)cc1 ZINC000743814850 575064472 /nfs/dbraw/zinc/06/44/72/575064472.db2.gz IGACHPIHSMUOAL-LLVKDONJSA-N -1 3 313.382 3.130 20 10 DGCDHM Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)c([O-])c1 ZINC000743716542 575062097 /nfs/dbraw/zinc/06/20/97/575062097.db2.gz RLLDXTSRAAEJHW-UHFFFAOYSA-N -1 3 311.381 3.215 20 10 DGCDHM CCc1nnc(-c2ccc(NC(=O)c3cc([O-])cs3)cc2)o1 ZINC000743806307 575064150 /nfs/dbraw/zinc/06/41/50/575064150.db2.gz NSSIFKYURVWQLS-UHFFFAOYSA-N -1 3 315.354 3.318 20 10 DGCDHM COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000729534774 575254846 /nfs/dbraw/zinc/25/48/46/575254846.db2.gz CVQFAVRGBRWEBJ-LBPRGKRZSA-N -1 3 315.369 3.214 20 10 DGCDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cs2)c(F)cc1F ZINC000748892823 575613842 /nfs/dbraw/zinc/61/38/42/575613842.db2.gz IRNDJHGVBPOVGM-UHFFFAOYSA-N -1 3 312.293 3.080 20 10 DGCDHM CCO[C@H]1C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826906 575754121 /nfs/dbraw/zinc/75/41/21/575754121.db2.gz UBWXMYMEQWXKHN-HOTGVXAUSA-N -1 3 323.408 3.369 20 10 DGCDHM C[C@H]1CSCCN1Cc1ccc(Br)cc1[O-] ZINC000824808967 628696113 /nfs/dbraw/zinc/69/61/13/628696113.db2.gz OKUHHBUBBARWOG-VIFPVBQESA-N -1 3 302.237 3.092 20 10 DGCDHM C[C@@H](NCc1nccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000840869643 618041893 /nfs/dbraw/zinc/04/18/93/618041893.db2.gz NIXHURPUZBDYMK-MRVPVSSYSA-N -1 3 315.270 3.191 20 10 DGCDHM CN(C)c1cc(F)c(CNCc2c([O-])cccc2F)cc1F ZINC000896642395 618937907 /nfs/dbraw/zinc/93/79/07/618937907.db2.gz QQUARWWGHYFNOZ-UHFFFAOYSA-N -1 3 310.319 3.165 20 10 DGCDHM COc1cc2c(c(CNCc3c([O-])cccc3F)c1)O[C@@H](C)C2 ZINC000896642460 618938122 /nfs/dbraw/zinc/93/81/22/618938122.db2.gz WYWYDDMPERCSOZ-NSHDSACASA-N -1 3 317.360 3.153 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC(CO)(C(F)(F)F)CC1 ZINC000897037517 619005139 /nfs/dbraw/zinc/00/51/39/619005139.db2.gz PFCXSWPVTUOTLD-UHFFFAOYSA-N -1 3 323.742 3.182 20 10 DGCDHM CCc1oc(CNCc2cccc(Cl)c2[O-])cc1C(=O)OC ZINC000898218498 619222512 /nfs/dbraw/zinc/22/25/12/619222512.db2.gz IEDPGCHFYNIERC-UHFFFAOYSA-N -1 3 323.776 3.277 20 10 DGCDHM C[C@@H](N[C@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903326704 619761523 /nfs/dbraw/zinc/76/15/23/619761523.db2.gz MUWKNKVFYZKIBL-OTYXRUKQSA-N -1 3 305.328 3.262 20 10 DGCDHM CN(Cc1nccn1C(F)F)Cc1c([O-])ccc2ccncc21 ZINC000913062051 620422087 /nfs/dbraw/zinc/42/20/87/620422087.db2.gz GGLFIDMDKQDCHF-UHFFFAOYSA-N -1 3 318.327 3.164 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000839192366 621347782 /nfs/dbraw/zinc/34/77/82/621347782.db2.gz OCYBFBBZFRCJBD-QWRGUYRKSA-N -1 3 314.248 3.153 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(C(C)C)no2)c1 ZINC000756573879 621650144 /nfs/dbraw/zinc/65/01/44/621650144.db2.gz SOIWPIZMBFTLMR-NSHDSACASA-N -1 3 318.373 3.141 20 10 DGCDHM COc1ccc(C)cc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756672829 621657888 /nfs/dbraw/zinc/65/78/88/621657888.db2.gz TXKBCHUAICCSIJ-LBPRGKRZSA-N -1 3 316.357 3.468 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000756795244 621665310 /nfs/dbraw/zinc/66/53/10/621665310.db2.gz JZHANXSZFRGRNS-JTQLQIEISA-N -1 3 315.325 3.081 20 10 DGCDHM C[C@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)cc1[O-] ZINC000757619069 621728939 /nfs/dbraw/zinc/72/89/39/621728939.db2.gz KJXQLDIWIPQJRV-AAEUAGOBSA-N -1 3 314.360 3.308 20 10 DGCDHM Cc1nc2cc(NCc3ccc(F)c(F)c3[O-])ccc2n1C ZINC000864031015 621729148 /nfs/dbraw/zinc/72/91/48/621729148.db2.gz SPDHICYHBHSZOM-UHFFFAOYSA-N -1 3 303.312 3.478 20 10 DGCDHM Cn1cc(C(F)F)c(CNCc2c([O-])cccc2Cl)n1 ZINC000865808715 621999220 /nfs/dbraw/zinc/99/92/20/621999220.db2.gz BFBKCFIJCRHRGC-UHFFFAOYSA-N -1 3 301.724 3.007 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(O)cc2OC(C)C)c([O-])c1O ZINC000762704896 622092802 /nfs/dbraw/zinc/09/28/02/622092802.db2.gz YKGWNVCNIMSNHP-UHFFFAOYSA-N -1 3 317.341 3.151 20 10 DGCDHM C[C@H](NCc1nn(C)cc1C(F)F)c1cc(F)cc(F)c1[O-] ZINC000866566041 622139970 /nfs/dbraw/zinc/13/99/70/622139970.db2.gz WRLJRWYBRXKJIF-ZETCQYMHSA-N -1 3 317.286 3.192 20 10 DGCDHM CCc1cc(NCc2cccc(Br)c2[O-])nc(C)n1 ZINC000764935307 622234031 /nfs/dbraw/zinc/23/40/31/622234031.db2.gz RFOVEKPOWUDWOE-UHFFFAOYSA-N -1 3 322.206 3.428 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2cccs2)CC1 ZINC000768198285 622445012 /nfs/dbraw/zinc/44/50/12/622445012.db2.gz RNPOCZUJQXVGNT-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCc1nc(-c2ccccc2)no1 ZINC000768662477 622469781 /nfs/dbraw/zinc/46/97/81/622469781.db2.gz AJFHKLUIZSTFHR-UHFFFAOYSA-N -1 3 315.760 3.385 20 10 DGCDHM COC(=O)CN(Cc1ccccc1)Cc1c([O-])cccc1Cl ZINC000768683053 622471145 /nfs/dbraw/zinc/47/11/45/622471145.db2.gz KMLJOXXASBULPG-UHFFFAOYSA-N -1 3 319.788 3.221 20 10 DGCDHM COC(=O)c1ccc(CN(C)Cc2c([O-])cccc2Cl)cc1 ZINC000768782262 622476943 /nfs/dbraw/zinc/47/69/43/622476943.db2.gz CIPFLUYUIAEQFC-UHFFFAOYSA-N -1 3 319.788 3.464 20 10 DGCDHM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCS1 ZINC000769446844 622528704 /nfs/dbraw/zinc/52/87/04/622528704.db2.gz CLCJNYLUNHQPTJ-UHFFFAOYSA-N -1 3 316.810 3.281 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2cn[nH]c2)CC1 ZINC000775663630 623308447 /nfs/dbraw/zinc/30/84/47/623308447.db2.gz PXHYYVUMQOQZHS-UHFFFAOYSA-N -1 3 309.772 3.287 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000776350096 623415150 /nfs/dbraw/zinc/41/51/50/623415150.db2.gz IFZZLTBJQXBZRZ-ZDUSSCGKSA-N -1 3 311.259 3.131 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000776693464 623452540 /nfs/dbraw/zinc/45/25/40/623452540.db2.gz UCTGGDVYPTZGLG-HNNXBMFYSA-N -1 3 317.816 3.489 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000776693466 623452556 /nfs/dbraw/zinc/45/25/56/623452556.db2.gz UCTGGDVYPTZGLG-OAHLLOKOSA-N -1 3 317.816 3.489 20 10 DGCDHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776744117 623458188 /nfs/dbraw/zinc/45/81/88/623458188.db2.gz DXJJVVCDXNLFHI-UHFFFAOYSA-N -1 3 305.399 3.491 20 10 DGCDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000776748029 623459061 /nfs/dbraw/zinc/45/90/61/623459061.db2.gz SCDFNTSZTXVGMV-UHFFFAOYSA-N -1 3 321.398 3.290 20 10 DGCDHM O=C1CCN1c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000790496907 625661169 /nfs/dbraw/zinc/66/11/69/625661169.db2.gz QTYBOTUGBYGZCH-UHFFFAOYSA-N -1 3 302.761 3.394 20 10 DGCDHM CSc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000780401114 623923577 /nfs/dbraw/zinc/92/35/77/623923577.db2.gz BQXLVPMMJUITFG-UHFFFAOYSA-N -1 3 313.375 3.054 20 10 DGCDHM COC[C@@H](NCc1ccc(F)c(F)c1[O-])c1cccc(OC)c1 ZINC000877626202 623968311 /nfs/dbraw/zinc/96/83/11/623968311.db2.gz SAKDYVDTUCYKQW-OAHLLOKOSA-N -1 3 323.339 3.156 20 10 DGCDHM COC(=O)c1oc(CNCc2c([O-])cc(C)cc2Cl)cc1C ZINC000877694063 623994818 /nfs/dbraw/zinc/99/48/18/623994818.db2.gz YRVOGRCIMQDURS-UHFFFAOYSA-N -1 3 323.776 3.332 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(Cl)cc(C)c2O)c([O-])c1O ZINC000780992580 624008332 /nfs/dbraw/zinc/00/83/32/624008332.db2.gz CDJZHEKSIXKVRX-UHFFFAOYSA-N -1 3 307.733 3.326 20 10 DGCDHM O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000790874344 625711314 /nfs/dbraw/zinc/71/13/14/625711314.db2.gz COXKDKFASWNREZ-ZJUUUORDSA-N -1 3 317.307 3.196 20 10 DGCDHM NC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1Cl ZINC000127293114 624346878 /nfs/dbraw/zinc/34/68/78/624346878.db2.gz KZVFSNAOECTJAQ-UHFFFAOYSA-N -1 3 311.168 3.410 20 10 DGCDHM CCn1nc(C)c(CNCc2c([O-])ccc(Cl)c2F)c1C ZINC000790955517 625722325 /nfs/dbraw/zinc/72/23/25/625722325.db2.gz RRJNCIJLDVNHQH-UHFFFAOYSA-N -1 3 311.788 3.308 20 10 DGCDHM CC(C)c1nnc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)[nH]1 ZINC000790981873 625728785 /nfs/dbraw/zinc/72/87/85/625728785.db2.gz ZIWWYAARQOXQJE-MRVPVSSYSA-N -1 3 312.776 3.277 20 10 DGCDHM CC(C)c1nc([C@@H](C)NCc2c([O-])ccc(Cl)c2F)n[nH]1 ZINC000790981873 625728790 /nfs/dbraw/zinc/72/87/90/625728790.db2.gz ZIWWYAARQOXQJE-MRVPVSSYSA-N -1 3 312.776 3.277 20 10 DGCDHM CSc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000800578092 626368426 /nfs/dbraw/zinc/36/84/26/626368426.db2.gz LWFVMFCUNRZOSJ-SNVBAGLBSA-N -1 3 303.383 3.311 20 10 DGCDHM Cn1ccnc1[C@H]1N(Cc2c([O-])ccc3ccncc32)CC1(C)C ZINC000840110655 626765417 /nfs/dbraw/zinc/76/54/17/626765417.db2.gz SFNIIKAPOBDUEE-QGZVFWFLSA-N -1 3 322.412 3.257 20 10 DGCDHM CC(C)Oc1ccc(NC(=O)c2cccc(O)c2[O-])c(F)c1 ZINC000807701968 626765434 /nfs/dbraw/zinc/76/54/34/626765434.db2.gz NYUGJVYJQNKBGB-UHFFFAOYSA-N -1 3 305.305 3.276 20 10 DGCDHM Cc1csc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000133846168 626842929 /nfs/dbraw/zinc/84/29/29/626842929.db2.gz MWRORJXPQFTDQR-UHFFFAOYSA-N -1 3 323.849 3.133 20 10 DGCDHM COc1ccc(CN[C@H](C)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000886516478 627155648 /nfs/dbraw/zinc/15/56/48/627155648.db2.gz JKAWWBZVLMHRPB-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM O=S(=O)(CCc1cccs1)Nc1ccc([O-])c(Cl)c1 ZINC000811694990 627306607 /nfs/dbraw/zinc/30/66/07/627306607.db2.gz VQUHDOBEOZUICG-UHFFFAOYSA-N -1 3 317.819 3.092 20 10 DGCDHM Cc1ncn(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)c1C ZINC000812739334 627414383 /nfs/dbraw/zinc/41/43/83/627414383.db2.gz CBGGDFVHBVACDN-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1C[C@@H](CO)Cc2ccccc21 ZINC000814169941 627546062 /nfs/dbraw/zinc/54/60/62/627546062.db2.gz PSWPSUAVZMHJLR-LBPRGKRZSA-N -1 3 303.789 3.217 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCOC[C@H](C2CCC2)C1 ZINC000814178490 627546879 /nfs/dbraw/zinc/54/68/79/627546879.db2.gz RUMYWJKGADEFSU-GFCCVEGCSA-N -1 3 313.800 3.433 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCOC[C@@H](C2CCC2)C1 ZINC000814178491 627547083 /nfs/dbraw/zinc/54/70/83/627547083.db2.gz RUMYWJKGADEFSU-LBPRGKRZSA-N -1 3 313.800 3.433 20 10 DGCDHM Cc1cc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])ncn1 ZINC000815599547 627689617 /nfs/dbraw/zinc/68/96/17/627689617.db2.gz VRWKQVMJXBJVLB-JTQLQIEISA-N -1 3 311.307 3.360 20 10 DGCDHM CC(C)n1cnnc1CN(C)Cc1ccc2ccccc2c1[O-] ZINC000816616701 627815652 /nfs/dbraw/zinc/81/56/52/627815652.db2.gz CRVNZFXJSMAEOW-UHFFFAOYSA-N -1 3 310.401 3.350 20 10 DGCDHM CCC(CC)n1ccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928704812 628179579 /nfs/dbraw/zinc/17/95/79/628179579.db2.gz DJUDJBHEWLQOPX-UHFFFAOYSA-N -1 3 305.353 3.019 20 10 DGCDHM C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C[C@H]1F ZINC000825440813 628761843 /nfs/dbraw/zinc/76/18/43/628761843.db2.gz LDOORQMCGDKLGI-JOYOIKCWSA-N -1 3 302.187 3.335 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](OC3CCC3)C2)c1[O-] ZINC000847038626 631387070 /nfs/dbraw/zinc/38/70/70/631387070.db2.gz USWMAJBTYJKHOP-MRXNPFEDSA-N -1 3 321.392 3.267 20 10 DGCDHM CCn1cc(CN[C@H](C)c2cc(Cl)c(Cl)cc2[O-])nn1 ZINC000850522338 632178190 /nfs/dbraw/zinc/17/81/90/632178190.db2.gz OUOMQJSIRVXWDP-MRVPVSSYSA-N -1 3 315.204 3.161 20 10 DGCDHM CC[C@@]1(C)COCCN1Cc1ccc(Br)cc1[O-] ZINC000707691501 660916703 /nfs/dbraw/zinc/91/67/03/660916703.db2.gz QZUWPTHICNYMIQ-AWEZNQCLSA-N -1 3 314.223 3.156 20 10 DGCDHM CC(C)[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000709000158 660923550 /nfs/dbraw/zinc/92/35/50/660923550.db2.gz KTOWUXXDIRPULP-CQSZACIVSA-N -1 3 314.223 3.012 20 10 DGCDHM CCCOc1cc(F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000187188846 660965650 /nfs/dbraw/zinc/96/56/50/660965650.db2.gz POSGWUUODPIDEL-UHFFFAOYSA-N -1 3 305.305 3.278 20 10 DGCDHM COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c([O-])c1 ZINC000793388729 661029290 /nfs/dbraw/zinc/02/92/90/661029290.db2.gz SFJXVBYJIRGYSC-UHFFFAOYSA-N -1 3 311.740 3.189 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(OC(F)F)c2)c([O-])c1O ZINC000177672631 655614512 /nfs/dbraw/zinc/61/45/12/655614512.db2.gz UCMUCOAUVFIGOD-UHFFFAOYSA-N -1 3 309.268 3.260 20 10 DGCDHM COCCc1ccnc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000795808140 661173647 /nfs/dbraw/zinc/17/36/47/661173647.db2.gz LUQJHLDNBSACBM-UHFFFAOYSA-N -1 3 310.756 3.381 20 10 DGCDHM Cc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c([O-])c1O ZINC000177668009 655938799 /nfs/dbraw/zinc/93/87/99/655938799.db2.gz TVMVYQCMPJGYOS-UHFFFAOYSA-N -1 3 321.336 3.116 20 10 DGCDHM C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(F)cc1[O-] ZINC000170789145 659237161 /nfs/dbraw/zinc/23/71/61/659237161.db2.gz NIGUAWNZCTWVJJ-NXEZZACHSA-N -1 3 316.332 3.424 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2OCC2CC2)c([O-])c1O ZINC000179513811 659932012 /nfs/dbraw/zinc/93/20/12/659932012.db2.gz BHXQKLIJXLHTKD-UHFFFAOYSA-N -1 3 313.353 3.447 20 10 DGCDHM C[C@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1[O-] ZINC000188154350 661918765 /nfs/dbraw/zinc/91/87/65/661918765.db2.gz CIBUXQAOXMXLKX-SECBINFHSA-N -1 3 307.296 3.209 20 10 DGCDHM O=C(Nc1cccc(CC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000193106266 662123264 /nfs/dbraw/zinc/12/32/64/662123264.db2.gz QAKWOZRRPOMECV-UHFFFAOYSA-N -1 3 311.259 3.455 20 10 DGCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)O1 ZINC000245559171 662235996 /nfs/dbraw/zinc/23/59/96/662235996.db2.gz LJWNGPQPPDATNA-MFKMUULPSA-N -1 3 314.223 3.154 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001596906785 1192710049 /nfs/dbraw/zinc/71/00/49/1192710049.db2.gz JYSCKTKTBQESNC-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(OC2CCC2)cc1 ZINC001596912657 1192710228 /nfs/dbraw/zinc/71/02/28/1192710228.db2.gz QKBKYTLNKRNNCR-UHFFFAOYSA-N -1 3 315.344 3.393 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]1c1cccc(F)c1F ZINC001596911008 1192710289 /nfs/dbraw/zinc/71/02/89/1192710289.db2.gz CIFWHPLMMGRSAC-QWRGUYRKSA-N -1 3 321.298 3.229 20 10 DGCDHM O=C(Nc1nc2c(s1)CCCCCC2)c1cccc(O)c1[O-] ZINC001597458575 1192734021 /nfs/dbraw/zinc/73/40/21/1192734021.db2.gz BPBLKQMSZTVHKJ-UHFFFAOYSA-N -1 3 318.398 3.466 20 10 DGCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001300454916 1180688991 /nfs/dbraw/zinc/68/89/91/1180688991.db2.gz DSBHJBQFWFFDNL-HNNXBMFYSA-N -1 3 303.333 3.364 20 10 DGCDHM C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604186072 1193058625 /nfs/dbraw/zinc/05/86/25/1193058625.db2.gz VVUCWVQTGNUWKT-VHSXEESVSA-N -1 3 306.387 3.001 20 10 DGCDHM Cc1cc(C)cc(-c2cc(NC(=O)c3cccc(O)c3[O-])n[nH]2)c1 ZINC001452321258 1182286240 /nfs/dbraw/zinc/28/62/40/1182286240.db2.gz PXUJPXGNNVTHPE-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM Cc1ccc2[nH]c(CNCc3cc(F)cc(F)c3[O-])nc2c1 ZINC001461268517 1182790046 /nfs/dbraw/zinc/79/00/46/1182790046.db2.gz YUVQHOHVGYZFDK-UHFFFAOYSA-N -1 3 303.312 3.145 20 10 DGCDHM Cc1ccc2nc(CNCc3cc(F)cc(F)c3[O-])[nH]c2c1 ZINC001461268517 1182790049 /nfs/dbraw/zinc/79/00/49/1182790049.db2.gz YUVQHOHVGYZFDK-UHFFFAOYSA-N -1 3 303.312 3.145 20 10 DGCDHM Cc1ccccc1N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001461875205 1182869347 /nfs/dbraw/zinc/86/93/47/1182869347.db2.gz NZWZLXCTAPTHRP-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM CN(Cc1nccn1C(F)F)Cc1ccc(Cl)cc1[O-] ZINC001461920965 1182876365 /nfs/dbraw/zinc/87/63/65/1182876365.db2.gz RLCLREUIEKYTLN-UHFFFAOYSA-N -1 3 301.724 3.269 20 10 DGCDHM COc1ccc2c(c1)CN(Cc1ccc(Cl)cc1[O-])CCO2 ZINC001462275497 1182932667 /nfs/dbraw/zinc/93/26/67/1182932667.db2.gz ZDXBZAFOAZLEBY-UHFFFAOYSA-N -1 3 319.788 3.449 20 10 DGCDHM [O-]c1cccc(CN2Cc3cccc(O)c3C2)c1Br ZINC001462522682 1182963746 /nfs/dbraw/zinc/96/37/46/1182963746.db2.gz YUGNUQMLGZPPCP-UHFFFAOYSA-N -1 3 320.186 3.376 20 10 DGCDHM CN1C(=O)COc2cccc(NCc3ccc(Cl)cc3[O-])c21 ZINC001462528911 1182964908 /nfs/dbraw/zinc/96/49/08/1182964908.db2.gz OLRDEVROEMRDSL-UHFFFAOYSA-N -1 3 318.760 3.013 20 10 DGCDHM O=[N+]([O-])c1ccc(CNCc2c([O-])cccc2F)cc1Cl ZINC001462594307 1182973414 /nfs/dbraw/zinc/97/34/14/1182973414.db2.gz UGCNDTCDNOHSAA-UHFFFAOYSA-N -1 3 310.712 3.383 20 10 DGCDHM C[S@@](=O)(=NC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC001607005497 1193209953 /nfs/dbraw/zinc/20/99/53/1193209953.db2.gz MYEIULWUEKUVKP-IBGZPJMESA-N -1 3 315.803 3.404 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+]Cc2ccc(CC(=O)[O-])cc2)c1[O-] ZINC001607655760 1193245562 /nfs/dbraw/zinc/24/55/62/1193245562.db2.gz ILVZHWBWVQVLNK-UHFFFAOYSA-N -1 3 319.788 3.271 20 10 DGCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])c2ccccc2NC1=O ZINC001474522268 1183934926 /nfs/dbraw/zinc/93/49/26/1183934926.db2.gz KLMPQDHYTZYLJS-SNVBAGLBSA-N -1 3 318.323 3.265 20 10 DGCDHM Cc1cc2cc(NCc3cccc(F)c3[O-])ccc2n(C)c1=O ZINC001474543760 1183938547 /nfs/dbraw/zinc/93/85/47/1183938547.db2.gz CWSZIXUXVASEKW-UHFFFAOYSA-N -1 3 312.344 3.304 20 10 DGCDHM CCNC(=O)c1ccc(NCc2ccc(Cl)cc2[O-])cc1 ZINC001474604973 1183948807 /nfs/dbraw/zinc/94/88/07/1183948807.db2.gz GCQDWMCIJYIZIX-UHFFFAOYSA-N -1 3 304.777 3.407 20 10 DGCDHM COC(=O)c1c[nH]c2cc(NCc3cccc(F)c3[O-])ccc21 ZINC001474632410 1183952301 /nfs/dbraw/zinc/95/23/01/1183952301.db2.gz NNFABMNTQCMPCJ-UHFFFAOYSA-N -1 3 314.316 3.411 20 10 DGCDHM COC1(C(F)(F)F)CN(Cc2ccc3ccccc3c2[O-])C1 ZINC001474725800 1183969238 /nfs/dbraw/zinc/96/92/38/1183969238.db2.gz MVCVYMNGWXGRQD-UHFFFAOYSA-N -1 3 311.303 3.309 20 10 DGCDHM O=C([O-])C1=CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC001608585860 1193294643 /nfs/dbraw/zinc/29/46/43/1193294643.db2.gz FYPBEALXFJNWQR-KRWDZBQOSA-N -1 3 309.365 3.322 20 10 DGCDHM C[C@@H]([NH2+]CCc1cccc(F)c1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001609776641 1193355653 /nfs/dbraw/zinc/35/56/53/1193355653.db2.gz BSPDMAPTSHEJLO-SNVBAGLBSA-N -1 3 321.323 3.262 20 10 DGCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833670 1193359335 /nfs/dbraw/zinc/35/93/35/1193359335.db2.gz LSQYKYHAYUGHEQ-DYVFJYSZSA-N -1 3 311.381 3.354 20 10 DGCDHM C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833670 1193359337 /nfs/dbraw/zinc/35/93/37/1193359337.db2.gz LSQYKYHAYUGHEQ-DYVFJYSZSA-N -1 3 311.381 3.354 20 10 DGCDHM CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])N(C)C ZINC001609916450 1193364419 /nfs/dbraw/zinc/36/44/19/1193364419.db2.gz AGAGKIWBMQLYJT-WBMJQRKESA-N -1 3 322.449 3.107 20 10 DGCDHM CCCC[N@H+](Cc1cc(C(=O)[O-])n(C)c1)Cc1ccccc1[O-] ZINC001609970569 1193369579 /nfs/dbraw/zinc/36/95/79/1193369579.db2.gz JJXXBPDBLZZDTK-UHFFFAOYSA-N -1 3 316.401 3.231 20 10 DGCDHM CCCC[N@@H+](Cc1cc(C(=O)[O-])n(C)c1)Cc1ccccc1[O-] ZINC001609970569 1193369582 /nfs/dbraw/zinc/36/95/82/1193369582.db2.gz JJXXBPDBLZZDTK-UHFFFAOYSA-N -1 3 316.401 3.231 20 10 DGCDHM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC001610736679 1193406119 /nfs/dbraw/zinc/40/61/19/1193406119.db2.gz YOCJOGPZRURKAE-HZPDHXFCSA-N -1 3 303.402 3.248 20 10 DGCDHM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC001610736679 1193406121 /nfs/dbraw/zinc/40/61/21/1193406121.db2.gz YOCJOGPZRURKAE-HZPDHXFCSA-N -1 3 303.402 3.248 20 10 DGCDHM CCN(Cc1ccc(Cl)cc1)C(=O)c1cccc(O)c1[O-] ZINC001540718258 1188257015 /nfs/dbraw/zinc/25/70/15/1188257015.db2.gz MVWGFKNXMHGKDK-UHFFFAOYSA-N -1 3 305.761 3.414 20 10 DGCDHM Cc1ccccc1C[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC001558454225 1189126296 /nfs/dbraw/zinc/12/62/96/1189126296.db2.gz BXOYFVLDPMDUIJ-CYBMUJFWSA-N -1 3 301.361 3.335 20 10 DGCDHM Cn1cc(NCc2ccc(Cl)cc2[O-])c(-c2ccccn2)n1 ZINC001560751239 1189373881 /nfs/dbraw/zinc/37/38/81/1189373881.db2.gz JYDPAMRFPHVSNR-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM COC(=O)c1ccc2c(c1)CCN2Cc1cc(F)c(F)cc1[O-] ZINC001621271131 1193825813 /nfs/dbraw/zinc/82/58/13/1193825813.db2.gz PBAJANDHQDSOHA-UHFFFAOYSA-N -1 3 319.307 3.020 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCOc2cc(F)c(F)cc21 ZINC001621418396 1193840445 /nfs/dbraw/zinc/84/04/45/1193840445.db2.gz JRMKGXNFUYVYFL-UHFFFAOYSA-N -1 3 313.250 3.348 20 10 DGCDHM C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001631953745 1194363449 /nfs/dbraw/zinc/36/34/49/1194363449.db2.gz HVAVAACVYXSOIL-MNOVXSKESA-N -1 3 315.344 3.385 20 10 DGCDHM CC(C)Oc1cc(F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001637461073 1194670910 /nfs/dbraw/zinc/67/09/10/1194670910.db2.gz TYJIYMCABSNTCQ-UHFFFAOYSA-N -1 3 305.305 3.276 20 10 DGCDHM COC1(CNC(=O)NCc2c([O-])cccc2F)CCCCCC1 ZINC001638913263 1194743418 /nfs/dbraw/zinc/74/34/18/1194743418.db2.gz UBUHWFXMRVJKMV-UHFFFAOYSA-N -1 3 324.396 3.070 20 10 DGCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1ccc(C)cc1 ZINC001639669819 1194776498 /nfs/dbraw/zinc/77/64/98/1194776498.db2.gz VWDIQUMHYZSQNP-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CC(C)(C)Oc1cccc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001645050163 1195153100 /nfs/dbraw/zinc/15/31/00/1195153100.db2.gz FLIWUJLRTBIROS-UHFFFAOYSA-N -1 3 318.348 3.034 20 10 DGCDHM O=C(COCc1cccc(Cl)c1)NCc1c([O-])cccc1F ZINC001645051086 1195153500 /nfs/dbraw/zinc/15/35/00/1195153500.db2.gz VPMPUCXZZRWOHN-UHFFFAOYSA-N -1 3 323.751 3.018 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1OCC1CC1 ZINC001652295479 1195577401 /nfs/dbraw/zinc/57/74/01/1195577401.db2.gz LDTCDIISFMZPLL-UHFFFAOYSA-N -1 3 315.344 3.250 20 10 DGCDHM CNC(=O)N(C)c1ccc(NCc2ccc(Cl)cc2[O-])cc1 ZINC001653028428 1195681371 /nfs/dbraw/zinc/68/13/71/1195681371.db2.gz LXRASXGYSMJKKE-UHFFFAOYSA-N -1 3 319.792 3.433 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1ccc(Br)nc1 ZINC001657610678 1196159094 /nfs/dbraw/zinc/15/90/94/1196159094.db2.gz XHPBGVNDKHILIL-UHFFFAOYSA-N -1 3 315.117 3.440 20 10 DGCDHM C[C@H]1COc2ccccc2CN1Cc1cc(F)cc(F)c1[O-] ZINC001657743827 1196174736 /nfs/dbraw/zinc/17/47/36/1196174736.db2.gz BAQYLZAYKKOQGQ-NSHDSACASA-N -1 3 305.324 3.454 20 10 DGCDHM COC(=O)[C@H](CC(C)(C)C)NCc1cc(Cl)c(C)cc1[O-] ZINC001658417756 1196254642 /nfs/dbraw/zinc/25/46/42/1196254642.db2.gz AQAIODFYMAIPFY-ZDUSSCGKSA-N -1 3 313.825 3.421 20 10 DGCDHM COc1cc(CN(C)Cc2cc(F)c(F)cc2[O-])ccc1O ZINC001658715311 1196292438 /nfs/dbraw/zinc/29/24/38/1196292438.db2.gz AIFAHGNMDMZIOM-UHFFFAOYSA-N -1 3 309.312 3.017 20 10 DGCDHM Cn1c(=O)ccc2ccc(NCc3cc(F)c(F)cc3[O-])cc21 ZINC001659018876 1196332184 /nfs/dbraw/zinc/33/21/84/1196332184.db2.gz VYCNMFJGPATPRN-UHFFFAOYSA-N -1 3 316.307 3.134 20 10 DGCDHM C[C@H]1CN(Cc2cc(F)cc(F)c2[O-])Cc2ccccc2O1 ZINC001659908866 1196427572 /nfs/dbraw/zinc/42/75/72/1196427572.db2.gz BHWIWXDJOYYQPA-NSHDSACASA-N -1 3 305.324 3.454 20 10 DGCDHM COC[C@@H](NCc1cc(F)c(F)cc1[O-])c1cccc(OC)c1 ZINC001665189931 1197107123 /nfs/dbraw/zinc/10/71/23/1197107123.db2.gz NOTOSTJHORVSBH-MRXNPFEDSA-N -1 3 323.339 3.156 20 10 DGCDHM [O-]c1cccc(Br)c1CN1Cc2ccc(O)cc2C1 ZINC001665281957 1197118750 /nfs/dbraw/zinc/11/87/50/1197118750.db2.gz UJCPNMUNIQWSGD-UHFFFAOYSA-N -1 3 320.186 3.376 20 10 DGCDHM CCOc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001666128802 1197238555 /nfs/dbraw/zinc/23/85/55/1197238555.db2.gz GXGCHRFBIYNNSP-UHFFFAOYSA-N -1 3 304.321 3.252 20 10 DGCDHM Cc1ccccc1C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001676478054 1198332511 /nfs/dbraw/zinc/33/25/11/1198332511.db2.gz UOJXZZYNAMTTOF-ZDUSSCGKSA-N -1 3 316.376 3.270 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C)cc1O ZINC000319770095 1199841382 /nfs/dbraw/zinc/84/13/82/1199841382.db2.gz QWDFQXSWCHXRJA-UHFFFAOYSA-N -1 3 317.410 3.299 20 10 DGCDHM COc1cc(Cl)cc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c1[O-] ZINC001594058867 958070812 /nfs/dbraw/zinc/07/08/12/958070812.db2.gz LYZLACCSIKGGOF-UHFFFAOYSA-N -1 3 321.760 3.042 20 10 DGCDHM CCc1cccc(CNCc2ccc(C(=O)[O-])cc2F)c1O ZINC001597586844 988406188 /nfs/dbraw/zinc/40/61/88/988406188.db2.gz MCYXASFQQLXVPV-UHFFFAOYSA-N -1 3 303.333 3.082 20 10 DGCDHM CCc1cnc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC001597627057 988580688 /nfs/dbraw/zinc/58/06/88/988580688.db2.gz ANTAMDHOYCBMJO-JTQLQIEISA-N -1 3 320.414 3.003 20 10 DGCDHM C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225808 994349765 /nfs/dbraw/zinc/34/97/65/994349765.db2.gz YJQAKCYUCLTLPA-MLGOLLRUSA-N -1 3 319.401 3.090 20 10 DGCDHM C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230044 994357027 /nfs/dbraw/zinc/35/70/27/994357027.db2.gz BFEUYJSZAGBQHV-DETPVDSQSA-N -1 3 321.417 3.335 20 10 DGCDHM C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241197 994436155 /nfs/dbraw/zinc/43/61/55/994436155.db2.gz XHRHFKRBJNSCFO-SECBINFHSA-N -1 3 301.333 3.422 20 10 DGCDHM C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593251726 994499369 /nfs/dbraw/zinc/49/93/69/994499369.db2.gz KSFDAOGGPFAFCW-GIYVSIDVSA-N -1 3 323.392 3.327 20 10 DGCDHM C[C@@H]([NH2+]CC1Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593258219 994539665 /nfs/dbraw/zinc/53/96/65/994539665.db2.gz XURNFRJLNGUWPY-GFCCVEGCSA-N -1 3 311.381 3.156 20 10 DGCDHM C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264428 994565769 /nfs/dbraw/zinc/56/57/69/994565769.db2.gz KIHFAABAYPMXHY-TZMCWYRMSA-N -1 3 307.390 3.090 20 10 DGCDHM C[C@H]([NH2+]CCCNc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593267130 994586826 /nfs/dbraw/zinc/58/68/26/994586826.db2.gz LJLAUIYTZBKOMC-ZDUSSCGKSA-N -1 3 314.385 3.243 20 10 DGCDHM Nc1ccnc(-c2cc(Nc3cccc(Cl)c3[O-])ccn2)c1 ZINC001210219529 1081923378 /nfs/dbraw/zinc/92/33/78/1081923378.db2.gz QVXVFQYTSQZZLY-UHFFFAOYSA-N -1 3 312.760 3.250 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@H]1c1cccnc1 ZINC001140342185 1082145349 /nfs/dbraw/zinc/14/53/49/1082145349.db2.gz WILOBLFLWHPDCB-HNNXBMFYSA-N -1 3 304.777 3.014 20 10 DGCDHM CC[C@@H](Nc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001184348701 1084165987 /nfs/dbraw/zinc/16/59/87/1084165987.db2.gz RCPZAKVKJZWOKG-OAHLLOKOSA-N -1 3 302.349 3.038 20 10 DGCDHM COc1cccc2c1CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142508817 1087274721 /nfs/dbraw/zinc/27/47/21/1087274721.db2.gz MNUSZJIHVGNKNE-UHFFFAOYSA-N -1 3 305.324 3.237 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001142508959 1087274948 /nfs/dbraw/zinc/27/49/48/1087274948.db2.gz QVWQDSNSYLNZQC-UHFFFAOYSA-N -1 3 319.298 3.061 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001142527540 1087278079 /nfs/dbraw/zinc/27/80/79/1087278079.db2.gz YJXAFMUEPNRGGX-UHFFFAOYSA-N -1 3 321.323 3.030 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267105 1087588637 /nfs/dbraw/zinc/58/86/37/1087588637.db2.gz WJGINZJBLOHJAD-UONOGXRCSA-N -1 3 305.752 3.326 20 10 DGCDHM [O-]c1c(CNc2ncncc2F)cc(Cl)c2cccnc12 ZINC001168525342 1088780152 /nfs/dbraw/zinc/78/01/52/1088780152.db2.gz BCSPZHMYRBXRMO-UHFFFAOYSA-N -1 3 304.712 3.135 20 10 DGCDHM CC[C@@H](Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001156170473 1089416909 /nfs/dbraw/zinc/41/69/09/1089416909.db2.gz NUTZXQVIZIIMEC-AWEZNQCLSA-N -1 3 301.361 3.416 20 10 DGCDHM CC1(C)COc2ccc(C(=O)NCc3c([O-])cccc3F)cc21 ZINC001156170281 1089417229 /nfs/dbraw/zinc/41/72/29/1089417229.db2.gz JTFYYMRMEDSSCI-UHFFFAOYSA-N -1 3 315.344 3.131 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001236792627 1089866439 /nfs/dbraw/zinc/86/64/39/1089866439.db2.gz GEJONENKFSAQHU-YMTOWFKASA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC[C@@](O)(CF)C1 ZINC001237078370 1090283318 /nfs/dbraw/zinc/28/33/18/1090283318.db2.gz QETHAXVSCKVHDA-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2ccncc2)C1 ZINC001203664504 1090776343 /nfs/dbraw/zinc/77/63/43/1090776343.db2.gz HYEAQLFYHIZRKK-INIZCTEOSA-N -1 3 304.777 3.014 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC(F)(F)CC1 ZINC001139126581 1091457112 /nfs/dbraw/zinc/45/71/12/1091457112.db2.gz LIAZRUGLXITHNF-UHFFFAOYSA-N -1 3 309.312 3.038 20 10 DGCDHM CN(Cc1ccncc1)Cc1c([O-])cccc1Br ZINC001140098975 1091767151 /nfs/dbraw/zinc/76/71/51/1091767151.db2.gz VPVKSPFNKUGGRU-UHFFFAOYSA-N -1 3 307.191 3.182 20 10 DGCDHM C[C@@]1(F)CCN(Cc2c([O-])cccc2Br)C[C@H]1F ZINC001140098604 1091767367 /nfs/dbraw/zinc/76/73/67/1091767367.db2.gz HNOQUSOEDFXYBZ-CHWSQXEVSA-N -1 3 320.177 3.427 20 10 DGCDHM COc1cc2c(cc1OC)CN(Cc1cc(F)ccc1[O-])C2 ZINC001140056123 1091752741 /nfs/dbraw/zinc/75/27/41/1091752741.db2.gz ITXPMJLVPWOYDA-UHFFFAOYSA-N -1 3 303.333 3.064 20 10 DGCDHM [O-]c1cccc(Br)c1CN1Cc2ncsc2C1 ZINC001140103644 1091769629 /nfs/dbraw/zinc/76/96/29/1091769629.db2.gz RMDUZWTWMXHJSR-UHFFFAOYSA-N -1 3 311.204 3.127 20 10 DGCDHM CN(Cc1cccc2c1OCO2)Cc1c([O-])cccc1Cl ZINC001140342714 1091836070 /nfs/dbraw/zinc/83/60/70/1091836070.db2.gz VNPPBSIVAAQBFJ-UHFFFAOYSA-N -1 3 305.761 3.406 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCc2nc(Cl)ncc2C1 ZINC001140341330 1091836219 /nfs/dbraw/zinc/83/62/19/1091836219.db2.gz HREDHUCLLMFMLR-UHFFFAOYSA-N -1 3 310.184 3.047 20 10 DGCDHM COCCOCc1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001207083875 1091841349 /nfs/dbraw/zinc/84/13/49/1091841349.db2.gz UAUQCNLKEXPMSY-UHFFFAOYSA-N -1 3 323.339 3.446 20 10 DGCDHM CC(C)(C)CC(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140464452 1091876363 /nfs/dbraw/zinc/87/63/63/1091876363.db2.gz QMAKGZLSESIYIW-UHFFFAOYSA-N -1 3 324.852 3.126 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC001140465413 1091877135 /nfs/dbraw/zinc/87/71/35/1091877135.db2.gz MLCFUNDMQYVYTI-KRWDZBQOSA-N -1 3 317.816 3.489 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCc2cc3c(cc2C1)OCO3 ZINC001140463005 1091877372 /nfs/dbraw/zinc/87/73/72/1091877372.db2.gz RREWXYJSZZFQAK-UHFFFAOYSA-N -1 3 317.772 3.333 20 10 DGCDHM COc1cccc2c1CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142530506 1092494660 /nfs/dbraw/zinc/49/46/60/1092494660.db2.gz IIDFZSSACQJKME-UHFFFAOYSA-N -1 3 305.324 3.237 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(F)cc2Cl)no1 ZINC001215325147 1093960381 /nfs/dbraw/zinc/96/03/81/1093960381.db2.gz DJKIPNKPQLZBLA-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc3cccnc32)no1 ZINC001215325148 1093960426 /nfs/dbraw/zinc/96/04/26/1093960426.db2.gz DLDKLHNOSKQGAD-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CCCC12CC2 ZINC001144298768 1095590377 /nfs/dbraw/zinc/59/03/77/1095590377.db2.gz IPDJRPWBIXZOLW-UHFFFAOYSA-N -1 3 300.171 3.422 20 10 DGCDHM C[C@@]1(c2ccc(F)cc2)CN(Cc2cccc(F)c2[O-])CCO1 ZINC001138128729 1095897752 /nfs/dbraw/zinc/89/77/52/1095897752.db2.gz WKKYMPQDJGKBMW-SFHVURJKSA-N -1 3 319.351 3.418 20 10 DGCDHM [O-]c1c(F)cccc1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001138128658 1095900994 /nfs/dbraw/zinc/90/09/94/1095900994.db2.gz SSFGICLGLRRKRI-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM O=C(NCc1cc2cc(Cl)ccc2[nH]1)c1cccc(O)c1[O-] ZINC001148220117 1096328516 /nfs/dbraw/zinc/32/85/16/1096328516.db2.gz RNQFAPONJBSSFH-UHFFFAOYSA-N -1 3 316.744 3.163 20 10 DGCDHM O=C(N[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001148224448 1096329383 /nfs/dbraw/zinc/32/93/83/1096329383.db2.gz MDEKODIBGCUTOK-DACLVMHWSA-N -1 3 323.392 3.410 20 10 DGCDHM O=C(Nc1ncccc1-c1ccccc1)c1cc(O)c([O-])c(O)c1 ZINC001148579845 1096407685 /nfs/dbraw/zinc/40/76/85/1096407685.db2.gz BYADUDDOPHJMDW-UHFFFAOYSA-N -1 3 322.320 3.118 20 10 DGCDHM CC(C)(C)c1ccc(CNC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148589821 1096408390 /nfs/dbraw/zinc/40/83/90/1096408390.db2.gz MNDFBVDTXKLYEB-UHFFFAOYSA-N -1 3 315.369 3.031 20 10 DGCDHM O=c1ccnc2c(NCc3cc4ccccc4cc3[O-])cccn12 ZINC001171406795 1096676182 /nfs/dbraw/zinc/67/61/82/1096676182.db2.gz FVSVMGSTMBURDT-UHFFFAOYSA-N -1 3 317.348 3.165 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c([O-])c1 ZINC001231455106 1097753594 /nfs/dbraw/zinc/75/35/94/1097753594.db2.gz WOOIFSRFJHVWOF-GASCZTMLSA-N -1 3 309.365 3.177 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c([O-])c1 ZINC001231455106 1097753601 /nfs/dbraw/zinc/75/36/01/1097753601.db2.gz WOOIFSRFJHVWOF-GASCZTMLSA-N -1 3 309.365 3.177 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001231565607 1097780333 /nfs/dbraw/zinc/78/03/33/1097780333.db2.gz IDOUGZUYQXFBFS-OAHLLOKOSA-N -1 3 303.402 3.493 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001231565607 1097780340 /nfs/dbraw/zinc/78/03/40/1097780340.db2.gz IDOUGZUYQXFBFS-OAHLLOKOSA-N -1 3 303.402 3.493 20 10 DGCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@@]1(O)C(F)(F)F ZINC001231910674 1097890123 /nfs/dbraw/zinc/89/01/23/1097890123.db2.gz QESBFNGUVAUBAN-ZANVPECISA-N -1 3 323.742 3.181 20 10 DGCDHM COc1cc([O-])c(CN2CCn3cccc3[C@@H]2C)cc1Cl ZINC001232267377 1097988195 /nfs/dbraw/zinc/98/81/95/1097988195.db2.gz AXMOPAJMEXGPKN-NSHDSACASA-N -1 3 306.793 3.433 20 10 DGCDHM COc1cc([O-])c(CN2CCc3cc(O)ccc3C2)cc1Cl ZINC001232267365 1097988943 /nfs/dbraw/zinc/98/89/43/1097988943.db2.gz FPAANMDEONOUMI-UHFFFAOYSA-N -1 3 319.788 3.318 20 10 DGCDHM Cc1ccc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079945 1098221617 /nfs/dbraw/zinc/22/16/17/1098221617.db2.gz OCRHUSDQURLWBA-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1ccc2cc(Br)ccc2c1CN1CCCO1 ZINC001233194585 1098248980 /nfs/dbraw/zinc/24/89/80/1098248980.db2.gz YQPKUCBDWQPLHK-UHFFFAOYSA-N -1 3 308.175 3.445 20 10 DGCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1c([O-])ccc(F)c1F ZINC001233331588 1098292117 /nfs/dbraw/zinc/29/21/17/1098292117.db2.gz CMAPOTXZPKQJGT-UHFFFAOYSA-N -1 3 321.323 3.074 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCOC[C@@H]1C1CCCCC1 ZINC001233336692 1098293621 /nfs/dbraw/zinc/29/36/21/1098293621.db2.gz VVCKFARQEOGICB-OAHLLOKOSA-N -1 3 311.372 3.452 20 10 DGCDHM O=C(c1ccccc1)[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336462 1098294571 /nfs/dbraw/zinc/29/45/71/1098294571.db2.gz MIQOLVQMXDHABI-CYBMUJFWSA-N -1 3 317.335 3.375 20 10 DGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1Cc2ncsc2C1 ZINC001233455209 1098340002 /nfs/dbraw/zinc/34/00/02/1098340002.db2.gz ASAPZOYJZFTOMY-UHFFFAOYSA-N -1 3 300.305 3.383 20 10 DGCDHM CC[C@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748939 1098660054 /nfs/dbraw/zinc/66/00/54/1098660054.db2.gz OASPIOMDZXIYQQ-QMMMGPOBSA-N -1 3 316.309 3.240 20 10 DGCDHM [O-]c1c(CN2CCn3nccc3C2)cccc1-c1ccccc1 ZINC001234998304 1098740871 /nfs/dbraw/zinc/74/08/71/1098740871.db2.gz JDEPSWYVMJNXKG-UHFFFAOYSA-N -1 3 305.381 3.272 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235066121 1098781403 /nfs/dbraw/zinc/78/14/03/1098781403.db2.gz WBIVEAWXBQVEBT-BKDNQFJXSA-N -1 3 318.161 3.226 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(-c2cnco2)c1 ZINC001178413668 1098827558 /nfs/dbraw/zinc/82/75/58/1098827558.db2.gz VSCRMALDGOACOB-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM Cc1ccc2snc(C(=O)NCc3c([O-])cccc3F)c2c1 ZINC001178412568 1098827749 /nfs/dbraw/zinc/82/77/49/1098827749.db2.gz AKVLBTUMCSFJRM-UHFFFAOYSA-N -1 3 316.357 3.379 20 10 DGCDHM Cn1cc(-c2cccc(NCc3c([O-])cccc3Cl)c2)nn1 ZINC001179204603 1099036920 /nfs/dbraw/zinc/03/69/20/1099036920.db2.gz BFJXIUZKIHMIPM-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM CN(C)c1ccc(/C=C/C(=O)Nc2ccc(F)c([O-])c2)cc1 ZINC001180128941 1099307913 /nfs/dbraw/zinc/30/79/13/1099307913.db2.gz YRJIIJAJIVYQBT-BJMVGYQFSA-N -1 3 300.333 3.249 20 10 DGCDHM CCOC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001180086728 1099308228 /nfs/dbraw/zinc/30/82/28/1099308228.db2.gz LSMOLUPILZYXDX-AWEZNQCLSA-N -1 3 311.809 3.272 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC001180349501 1099380867 /nfs/dbraw/zinc/38/08/67/1099380867.db2.gz MLCFUNDMQYVYTI-QGZVFWFLSA-N -1 3 317.816 3.489 20 10 DGCDHM COc1c([O-])c(CN2c3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC001180480283 1099419734 /nfs/dbraw/zinc/41/97/34/1099419734.db2.gz ZNQZASQZWDSGGH-NSHDSACASA-N -1 3 314.341 3.260 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001236662887 1099730261 /nfs/dbraw/zinc/73/02/61/1099730261.db2.gz IZXQRNPSCMDQET-TXEJJXNPSA-N -1 3 324.218 3.159 20 10 DGCDHM COC(=O)C1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236790147 1099785978 /nfs/dbraw/zinc/78/59/78/1099785978.db2.gz LKSFYKKBZHIISH-UHFFFAOYSA-N -1 3 318.200 3.084 20 10 DGCDHM C[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])[C@@H]1CO ZINC001236794145 1099787500 /nfs/dbraw/zinc/78/75/00/1099787500.db2.gz QEEATGNXDMPRRV-TVQRCGJNSA-N -1 3 304.217 3.292 20 10 DGCDHM C[C@@H]1CC[C@H](CO)CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794258 1099789054 /nfs/dbraw/zinc/78/90/54/1099789054.db2.gz QZBLKAITBVGVGR-ZJUUUORDSA-N -1 3 304.217 3.292 20 10 DGCDHM COc1cc([O-])c(CN2CCc3cc(O)ccc3C2)c(Cl)c1 ZINC001236794501 1099790035 /nfs/dbraw/zinc/79/00/35/1099790035.db2.gz ADIAWWQOFVXYNY-UHFFFAOYSA-N -1 3 319.788 3.318 20 10 DGCDHM CCOC(=O)[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236797050 1099790223 /nfs/dbraw/zinc/79/02/23/1099790223.db2.gz UAGHXZNPYMXCTC-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM COc1cc([O-])c(CN2CCn3cccc3[C@H]2C)c(Cl)c1 ZINC001236802837 1099796926 /nfs/dbraw/zinc/79/69/26/1099796926.db2.gz KVDNUNJRLMDRFJ-LLVKDONJSA-N -1 3 306.793 3.433 20 10 DGCDHM COc1ccc(CN2CC[C@H]3CCCO[C@@H]3C2)c([O-])c1Cl ZINC001236801383 1099796977 /nfs/dbraw/zinc/79/69/77/1099796977.db2.gz IICHUNVCTYOTGF-BXUZGUMPSA-N -1 3 311.809 3.055 20 10 DGCDHM COC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])c(OC)c1 ZINC001205422962 1099946457 /nfs/dbraw/zinc/94/64/57/1099946457.db2.gz ACAJBYGERIYIOM-UHFFFAOYSA-N -1 3 323.295 3.078 20 10 DGCDHM CCOCCN(CCOCC)Cc1c([O-])ccc(F)c1Cl ZINC001237126687 1099983768 /nfs/dbraw/zinc/98/37/68/1099983768.db2.gz OUWCJNJBTCMULJ-UHFFFAOYSA-N -1 3 319.804 3.060 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H](Oc2cccnc2)C1 ZINC001237124497 1099984943 /nfs/dbraw/zinc/98/49/43/1099984943.db2.gz MOWHFNROFHXRGJ-LBPRGKRZSA-N -1 3 322.767 3.233 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC(n2cccn2)CC1 ZINC001237804625 1100252206 /nfs/dbraw/zinc/25/22/06/1100252206.db2.gz FHSGYBVOILYDPQ-UHFFFAOYSA-N -1 3 309.772 3.218 20 10 DGCDHM CCCCCN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237815117 1100256326 /nfs/dbraw/zinc/25/63/26/1100256326.db2.gz VYUHMEDHSVBEGH-UHFFFAOYSA-N -1 3 314.832 3.493 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237950601 1100302268 /nfs/dbraw/zinc/30/22/68/1100302268.db2.gz XJBZWVUSTHSJSP-ZDUSSCGKSA-N -1 3 321.726 3.185 20 10 DGCDHM CC(=O)N1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1 ZINC001248881267 1105185913 /nfs/dbraw/zinc/18/59/13/1105185913.db2.gz VRGHQFJXFDBDMM-UHFFFAOYSA-N -1 3 324.852 3.007 20 10 DGCDHM CC(=O)N(C)C1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883991 1105186799 /nfs/dbraw/zinc/18/67/99/1105186799.db2.gz VMEOVXOAVAKZQL-UHFFFAOYSA-N -1 3 324.852 3.006 20 10 DGCDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001259490304 1107150949 /nfs/dbraw/zinc/15/09/49/1107150949.db2.gz IVPCGRSRMLDLSD-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM CC[C@@H](Nc1ccc(NC(C)=O)cn1)c1ccc(F)cc1[O-] ZINC001322451270 1107676506 /nfs/dbraw/zinc/67/65/06/1107676506.db2.gz GEEXJIKNPQBIQX-CQSZACIVSA-N -1 3 303.337 3.448 20 10 DGCDHM Cc1ccc(O)c(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001301046741 1111079962 /nfs/dbraw/zinc/07/99/62/1111079962.db2.gz JLTZAYCQXMVWBF-UHFFFAOYSA-N -1 3 307.349 3.489 20 10 DGCDHM CSc1ccccc1CC(=O)NCc1c([O-])cccc1F ZINC001303876057 1111156124 /nfs/dbraw/zinc/15/61/24/1111156124.db2.gz UAEGWVIZJRNTTJ-UHFFFAOYSA-N -1 3 305.374 3.112 20 10 DGCDHM COC1(c2ccccc2)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001308746880 1111468938 /nfs/dbraw/zinc/46/89/38/1111468938.db2.gz JFDRYCWVRVKTEN-UHFFFAOYSA-N -1 3 303.789 3.403 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cnc(C)s2)c1[O-] ZINC000079400400 185169169 /nfs/dbraw/zinc/16/91/69/185169169.db2.gz AAQNOASUVQSULO-UHFFFAOYSA-N -1 3 308.378 3.131 20 10 DGCDHM O=C(CCC1CCCC1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179556889 432061614 /nfs/dbraw/zinc/06/16/14/432061614.db2.gz MGONYDMNCOUBDS-UHFFFAOYSA-N -1 3 316.445 3.007 20 10 DGCDHM C[C@@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482718 193258937 /nfs/dbraw/zinc/25/89/37/193258937.db2.gz SLONEWKVEHVKPV-BXKDBHETSA-N -1 3 304.217 3.434 20 10 DGCDHM C[C@@H](O)c1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273379227 296204658 /nfs/dbraw/zinc/20/46/58/296204658.db2.gz HUJWQENDLBJLKT-NWDGAFQWSA-N -1 3 316.357 3.205 20 10 DGCDHM Cc1ncsc1/C=C\C(=O)N1CCCc2cccc([O-])c21 ZINC000493817208 246075033 /nfs/dbraw/zinc/07/50/33/246075033.db2.gz HZNGIUKQEJULGI-FPLPWBNLSA-N -1 3 300.383 3.150 20 10 DGCDHM CN(Cc1ncc(Cl)n1C)Cc1c([O-])cccc1Cl ZINC000272582618 130044145 /nfs/dbraw/zinc/04/41/45/130044145.db2.gz GXNMTTNKYRSRIP-UHFFFAOYSA-N -1 3 300.189 3.065 20 10 DGCDHM C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000273447763 130123915 /nfs/dbraw/zinc/12/39/15/130123915.db2.gz FKQFEWSWFPLVEN-NSHDSACASA-N -1 3 323.389 3.249 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273510385 130130594 /nfs/dbraw/zinc/13/05/94/130130594.db2.gz RSAWIBKCVAMCMJ-GFCCVEGCSA-N -1 3 317.389 3.204 20 10 DGCDHM Cc1ccc([C@@H](C)N[C@H](CO)c2c(F)cccc2F)c([O-])c1 ZINC000273537013 130133363 /nfs/dbraw/zinc/13/33/63/130133363.db2.gz XPYYPFUAFJEDBV-IAQYHMDHSA-N -1 3 307.340 3.363 20 10 DGCDHM C[C@@H](NCc1ccnc(OC(F)F)c1)c1ccc(F)cc1[O-] ZINC000284370280 131074899 /nfs/dbraw/zinc/07/48/99/131074899.db2.gz NQGGKQLIFDYTRM-SECBINFHSA-N -1 3 312.291 3.379 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289220299 131367107 /nfs/dbraw/zinc/36/71/07/131367107.db2.gz CLNQQGHMJJMSLD-CYBMUJFWSA-N -1 3 323.742 3.325 20 10 DGCDHM Cc1ccc(C(=O)N2CCSC3(CCCCC3)C2)c([O-])c1O ZINC000179539796 292060662 /nfs/dbraw/zinc/06/06/62/292060662.db2.gz NPHFFHXGDGRPIZ-UHFFFAOYSA-N -1 3 321.442 3.298 20 10 DGCDHM CC[C@@H](N[C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314467 286926165 /nfs/dbraw/zinc/92/61/65/286926165.db2.gz DAZQVOGYGKCYFH-ZIAGYGMSSA-N -1 3 310.825 3.096 20 10 DGCDHM CC[C@H](NCc1ncnn1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000287486634 288051220 /nfs/dbraw/zinc/05/12/20/288051220.db2.gz NBKBDMARTBAQAM-ZDUSSCGKSA-N -1 3 306.385 3.119 20 10 DGCDHM Cc1cc(C)c(NC(=O)CN(C)Cc2ccccc2[O-])c(C)c1 ZINC000109771073 431177960 /nfs/dbraw/zinc/17/79/60/431177960.db2.gz KBXVFANAFAIWPC-UHFFFAOYSA-N -1 3 312.413 3.388 20 10 DGCDHM Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c(C)c1 ZINC000109772977 431178292 /nfs/dbraw/zinc/17/82/92/431178292.db2.gz QABBIGRPQUTFIX-OAHLLOKOSA-N -1 3 312.413 3.468 20 10 DGCDHM Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109769626 431180083 /nfs/dbraw/zinc/18/00/83/431180083.db2.gz ZOSYNQQDCSYJQQ-CYBMUJFWSA-N -1 3 316.376 3.299 20 10 DGCDHM CCCN(Cc1nnc(-c2ccco2)o1)Cc1ccccc1[O-] ZINC000076074081 431524551 /nfs/dbraw/zinc/52/45/51/431524551.db2.gz PQMMGMVILKVAPT-UHFFFAOYSA-N -1 3 313.357 3.447 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccn(CC(F)(F)F)n1 ZINC000120667744 431730870 /nfs/dbraw/zinc/73/08/70/431730870.db2.gz FYCYCTBCFWUDHS-UHFFFAOYSA-N -1 3 305.687 3.417 20 10 DGCDHM Cc1noc(C2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000271088878 432328152 /nfs/dbraw/zinc/32/81/52/432328152.db2.gz FNSBPYCSUZLGCO-UHFFFAOYSA-N -1 3 307.781 3.117 20 10 DGCDHM Cc1cccc(C2=CCN(C(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000193151944 432453594 /nfs/dbraw/zinc/45/35/94/432453594.db2.gz APNHRPHNLXXKRB-UHFFFAOYSA-N -1 3 309.365 3.336 20 10 DGCDHM C[C@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193166126 432456275 /nfs/dbraw/zinc/45/62/75/432456275.db2.gz XZFHHUCMEUASRR-LJQANCHMSA-N -1 3 311.381 3.335 20 10 DGCDHM Cc1cc(Br)cc(CN(C)Cc2ccon2)c1[O-] ZINC000271817258 432427208 /nfs/dbraw/zinc/42/72/08/432427208.db2.gz MUZUOQOKOIFSOD-UHFFFAOYSA-N -1 3 311.179 3.083 20 10 DGCDHM CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000186176849 432564473 /nfs/dbraw/zinc/56/44/73/432564473.db2.gz OXOOPFGQTXKHQG-NSHDSACASA-N -1 3 305.397 3.240 20 10 DGCDHM COCC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273409200 432595007 /nfs/dbraw/zinc/59/50/07/432595007.db2.gz HMLVJEMAQVGPDV-RISCZKNCSA-N -1 3 320.345 3.322 20 10 DGCDHM Cc1ccc(C(=O)N(Cc2ccccc2F)C2CC2)c([O-])c1O ZINC000177663299 432646895 /nfs/dbraw/zinc/64/68/95/432646895.db2.gz FIIKGQNSZHYTEK-UHFFFAOYSA-N -1 3 315.344 3.350 20 10 DGCDHM Cn1cc([C@@H](NCc2ccccc2[O-])c2ccc(F)cc2)cn1 ZINC000187516961 432667374 /nfs/dbraw/zinc/66/73/74/432667374.db2.gz ZEQASQFNYHZOPU-SFHVURJKSA-N -1 3 311.360 3.144 20 10 DGCDHM [O-]c1ccccc1CN(Cc1ccc(F)cn1)C[C@@H]1CCCO1 ZINC000276198327 432782842 /nfs/dbraw/zinc/78/28/42/432782842.db2.gz JCVLUEPMWGHOLX-KRWDZBQOSA-N -1 3 316.376 3.108 20 10 DGCDHM C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901129 432826741 /nfs/dbraw/zinc/82/67/41/432826741.db2.gz JBMBRIBERQDIAX-YMTOWFKASA-N -1 3 311.303 3.194 20 10 DGCDHM C[C@H](NC[C@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332577 432891543 /nfs/dbraw/zinc/89/15/43/432891543.db2.gz WNZYDVOJKAGDLS-RRAGMBSWSA-N -1 3 318.122 3.273 20 10 DGCDHM CC(C)(C)c1nnc(CNCc2c([O-])cccc2Cl)s1 ZINC000268219443 432857057 /nfs/dbraw/zinc/85/70/57/432857057.db2.gz QVPCJEJWMRERKX-UHFFFAOYSA-N -1 3 311.838 3.484 20 10 DGCDHM Cc1noc([C@@H]2CCCN2Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000289717686 432973365 /nfs/dbraw/zinc/97/33/65/432973365.db2.gz GYVOYGUGEGBEMV-ZDUSSCGKSA-N -1 3 307.781 3.383 20 10 DGCDHM C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccccc1[O-] ZINC000290458356 433056563 /nfs/dbraw/zinc/05/65/63/433056563.db2.gz MXESQPKIABMPCL-ZDUSSCGKSA-N -1 3 312.417 3.218 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](n2cccn2)C1 ZINC000291203731 433228470 /nfs/dbraw/zinc/22/84/70/433228470.db2.gz HVHIOEBIUVTPQX-GFCCVEGCSA-N -1 3 312.200 3.343 20 10 DGCDHM Cc1noc(C2(C)CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000374738760 433267708 /nfs/dbraw/zinc/26/77/08/433267708.db2.gz WIQALUTZAVAIHY-UHFFFAOYSA-N -1 3 321.808 3.291 20 10 DGCDHM CO[C@@H]1CCN(Cc2cc(Br)ccc2[O-])[C@H](C)C1 ZINC000282371598 433585506 /nfs/dbraw/zinc/58/55/06/433585506.db2.gz QHTDCJBPYCYUML-ZWNOBZJWSA-N -1 3 314.223 3.154 20 10 DGCDHM C[C@H](N[C@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552670 433614031 /nfs/dbraw/zinc/61/40/31/433614031.db2.gz XIZHIDGLKOVDGZ-ZANVPECISA-N -1 3 307.344 3.132 20 10 DGCDHM CCc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000294408371 434111055 /nfs/dbraw/zinc/11/10/55/434111055.db2.gz FDTMLKKLHDEUSH-HNNXBMFYSA-N -1 3 311.381 3.290 20 10 DGCDHM CCc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000294408376 434111690 /nfs/dbraw/zinc/11/16/90/434111690.db2.gz FDTMLKKLHDEUSH-OAHLLOKOSA-N -1 3 311.381 3.290 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCC(CF)CC1 ZINC000295039761 434163521 /nfs/dbraw/zinc/16/35/21/434163521.db2.gz MMUUUJSJDSIQSS-UHFFFAOYSA-N -1 3 302.187 3.336 20 10 DGCDHM CCOC(=O)C1(C)CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000378548246 434217412 /nfs/dbraw/zinc/21/74/12/434217412.db2.gz ZOTBVWJTLPBGBD-UHFFFAOYSA-N -1 3 311.809 3.211 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000295374508 434333730 /nfs/dbraw/zinc/33/37/30/434333730.db2.gz OPOCFXSGHRVVQA-JTQLQIEISA-N -1 3 309.772 3.287 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000366757335 434503006 /nfs/dbraw/zinc/50/30/06/434503006.db2.gz RTEXWOOQTXOZMS-AYJWMTRPSA-N -1 3 309.365 3.416 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@]12CCOC2 ZINC000367047489 434535276 /nfs/dbraw/zinc/53/52/76/434535276.db2.gz JWDIECWFONOARZ-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM Cc1cc(Br)c([O-])c(CNCc2cccnc2C)c1 ZINC000527794056 435015075 /nfs/dbraw/zinc/01/50/75/435015075.db2.gz RVCQBSSMXIXOBZ-UHFFFAOYSA-N -1 3 321.218 3.456 20 10 DGCDHM CCn1nncc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527917256 435017624 /nfs/dbraw/zinc/01/76/24/435017624.db2.gz SLADISDCXIKBIB-QMMMGPOBSA-N -1 3 315.204 3.161 20 10 DGCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1c1ccccc1 ZINC000185737785 337251018 /nfs/dbraw/zinc/25/10/18/337251018.db2.gz LWIFLQVGEYJTTD-HIFRSBDPSA-N -1 3 311.381 3.364 20 10 DGCDHM CN(Cc1ccc([S@](C)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000180503286 523277356 /nfs/dbraw/zinc/27/73/56/523277356.db2.gz DNMSKUYSJSQCEE-NRFANRHFSA-N -1 3 323.845 3.415 20 10 DGCDHM CN1Cc2ccccc2[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000365170597 524029741 /nfs/dbraw/zinc/02/97/41/524029741.db2.gz LMXQYLQMTXSLNB-OAHLLOKOSA-N -1 3 320.795 3.461 20 10 DGCDHM Cc1ccc(C(=O)N2CCC(c3ccsc3)CC2)c([O-])c1O ZINC000189256111 526087008 /nfs/dbraw/zinc/08/70/08/526087008.db2.gz GMBSXNGPAAKOIV-UHFFFAOYSA-N -1 3 317.410 3.488 20 10 DGCDHM Cc1nc(C)c([C@@H](C)N(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000188436487 526740289 /nfs/dbraw/zinc/74/02/89/526740289.db2.gz GHQHBCUCALQUCP-SECBINFHSA-N -1 3 306.387 3.004 20 10 DGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CCOc3c(F)cccc32)c1 ZINC000191120610 527371357 /nfs/dbraw/zinc/37/13/57/527371357.db2.gz BDXVXUHADWDXGE-AWEZNQCLSA-N -1 3 318.304 3.053 20 10 DGCDHM CCc1nnc(CN(Cc2ccccc2[O-])C2CCCC2)o1 ZINC000731845579 574560342 /nfs/dbraw/zinc/56/03/42/574560342.db2.gz DXFAMWOTVMQTKI-UHFFFAOYSA-N -1 3 301.390 3.282 20 10 DGCDHM Cc1cc(C)c(C(=O)COC(=O)c2cc([O-])cs2)cc1C ZINC000731911887 574561860 /nfs/dbraw/zinc/56/18/60/574561860.db2.gz MWSXUCTZXDJUKO-UHFFFAOYSA-N -1 3 304.367 3.419 20 10 DGCDHM O=C(Nc1nnc(Cc2ccccc2)s1)c1cc([O-])cs1 ZINC000732266603 574569701 /nfs/dbraw/zinc/56/97/01/574569701.db2.gz GQRQWRCGIUZATJ-UHFFFAOYSA-N -1 3 317.395 3.148 20 10 DGCDHM CN(C)c1ccc2cc(NC(=O)c3cc([O-])cs3)ccc2n1 ZINC000732277884 574570133 /nfs/dbraw/zinc/57/01/33/574570133.db2.gz VFTNPENYHOQVRF-UHFFFAOYSA-N -1 3 313.382 3.320 20 10 DGCDHM O=C(NCCc1c[nH]c2cc(F)ccc12)c1cc([O-])cs1 ZINC000732279341 574570635 /nfs/dbraw/zinc/57/06/35/574570635.db2.gz JQZRLQJWRIBJLT-UHFFFAOYSA-N -1 3 304.346 3.047 20 10 DGCDHM Cc1ccn2cc(CNCc3c([O-])cccc3Cl)nc2c1 ZINC000733326858 574616297 /nfs/dbraw/zinc/61/62/97/574616297.db2.gz GOTSQZCRALYYAR-UHFFFAOYSA-N -1 3 301.777 3.292 20 10 DGCDHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CO1 ZINC000743710843 575061984 /nfs/dbraw/zinc/06/19/84/575061984.db2.gz WKRCMZVWOROPEC-WFASDCNBSA-N -1 3 317.410 3.364 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CC[C@H](COCc2ccccc2)C1 ZINC000743718365 575062164 /nfs/dbraw/zinc/06/21/64/575062164.db2.gz NMJUSGDMZLQUKV-AWEZNQCLSA-N -1 3 317.410 3.133 20 10 DGCDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3ccc(F)cc3)CC2)c1 ZINC000729685995 575260412 /nfs/dbraw/zinc/26/04/12/575260412.db2.gz ZLXMBNQCLLVDDZ-UHFFFAOYSA-N -1 3 302.305 3.218 20 10 DGCDHM CC(C)CN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000749698897 575673211 /nfs/dbraw/zinc/67/32/11/575673211.db2.gz BCXUKZHHSRQQLR-IBGZPJMESA-N -1 3 310.397 3.146 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOc3cc(F)ccc32)c1[O-] ZINC000750819607 575754168 /nfs/dbraw/zinc/75/41/68/575754168.db2.gz CYXWMOTUKBOMCM-UHFFFAOYSA-N -1 3 319.307 3.272 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@]3(CCCOC3)C2)c1[O-] ZINC000750837214 575754879 /nfs/dbraw/zinc/75/48/79/575754879.db2.gz IMZLEFNKDICVNY-SFHVURJKSA-N -1 3 321.392 3.127 20 10 DGCDHM CCc1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1[O-] ZINC000751388178 575783418 /nfs/dbraw/zinc/78/34/18/575783418.db2.gz CPZDXTKWWZZUKH-NSHDSACASA-N -1 3 315.369 3.160 20 10 DGCDHM C[C@@H]1C[C@@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847310 575929269 /nfs/dbraw/zinc/92/92/69/575929269.db2.gz ZQHVJGXOARJMGG-YGRLFVJLSA-N -1 3 302.330 3.307 20 10 DGCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1nc(C)cs1 ZINC000917023479 620652450 /nfs/dbraw/zinc/65/24/50/620652450.db2.gz FPQXKTYSBDKVAQ-GFCCVEGCSA-N -1 3 323.393 3.247 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCCSCC1 ZINC000894422601 618327188 /nfs/dbraw/zinc/32/71/88/618327188.db2.gz JXMVFDQLHDMGFW-UHFFFAOYSA-N -1 3 320.227 3.233 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@]2(C1)OCc1ccccc12 ZINC000894480887 618350200 /nfs/dbraw/zinc/35/02/00/618350200.db2.gz RIIZBOXJTOJWFQ-SFHVURJKSA-N -1 3 317.335 3.302 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000894793797 618462074 /nfs/dbraw/zinc/46/20/74/618462074.db2.gz IWQQSMGBEFODSE-HOCLYGCPSA-N -1 3 309.356 3.204 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@H](C)[S@@]1=O ZINC000840948267 618620769 /nfs/dbraw/zinc/62/07/69/618620769.db2.gz NKFWKVFMQUHATD-ZBUHCNDUSA-N -1 3 315.866 3.085 20 10 DGCDHM [O-]c1c(CNCc2nccc3c2CCCC3)ccc(F)c1F ZINC000896280839 618896357 /nfs/dbraw/zinc/89/63/57/618896357.db2.gz LXMPIERWAYYDPK-UHFFFAOYSA-N -1 3 304.340 3.234 20 10 DGCDHM COc1cc(C)cc(CNCc2c([O-])cccc2F)c1OC ZINC000896638462 618939774 /nfs/dbraw/zinc/93/97/74/618939774.db2.gz BVYKLPUVTUWRQQ-UHFFFAOYSA-N -1 3 305.349 3.147 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000928709915 619059564 /nfs/dbraw/zinc/05/95/64/619059564.db2.gz ISVNNGSBSDUHKR-KTXOBNNYSA-N -1 3 317.335 3.217 20 10 DGCDHM C[C@H](NCc1nn(C)cc1Cl)c1ccc(Cl)cc1[O-] ZINC000841757975 619163427 /nfs/dbraw/zinc/16/34/27/619163427.db2.gz QMGGDYOOSKJHMX-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM CC1(C)C[C@@H](NC(=O)NCc2c([O-])cccc2F)CCS1 ZINC000897852974 619188673 /nfs/dbraw/zinc/18/86/73/619188673.db2.gz QTPOTVIVBBCIQH-JTQLQIEISA-N -1 3 312.410 3.005 20 10 DGCDHM COc1c(C)cnc(CNCc2cccc(Cl)c2[O-])c1C ZINC000898215329 619222273 /nfs/dbraw/zinc/22/22/73/619222273.db2.gz LNBCTPNEKTZPCS-UHFFFAOYSA-N -1 3 306.793 3.356 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000151873818 620478950 /nfs/dbraw/zinc/47/89/50/620478950.db2.gz ITMCTLMUYZSYEQ-UHFFFAOYSA-N -1 3 315.753 3.294 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000855487965 620907532 /nfs/dbraw/zinc/90/75/32/620907532.db2.gz BURWXOXNUYRPQX-INIZCTEOSA-N -1 3 313.353 3.448 20 10 DGCDHM CC(C)(CNC(=O)NCc1c([O-])cccc1F)CC(F)(F)F ZINC000923362503 621179665 /nfs/dbraw/zinc/17/96/65/621179665.db2.gz NVTSRGRQTZWNSH-UHFFFAOYSA-N -1 3 322.302 3.309 20 10 DGCDHM C[C@H](NCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774264801 621199308 /nfs/dbraw/zinc/19/93/08/621199308.db2.gz BUNILVWKRDGFJA-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)C(F)(F)[C@@H](C)C2)c1[O-] ZINC000859411806 621275478 /nfs/dbraw/zinc/27/54/78/621275478.db2.gz NHERVUJFKZDDMG-AOOOYVTPSA-N -1 3 315.335 3.457 20 10 DGCDHM CN(Cc1cscn1)Cc1c([O-])cccc1Br ZINC000862234648 621565028 /nfs/dbraw/zinc/56/50/28/621565028.db2.gz WJRIHEVKTZZQID-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2nc(C)cs2)c1 ZINC000756533761 621645924 /nfs/dbraw/zinc/64/59/24/621645924.db2.gz IBQFUOSITGUTAB-QWRGUYRKSA-N -1 3 320.414 3.356 20 10 DGCDHM Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570319 621650251 /nfs/dbraw/zinc/65/02/51/621650251.db2.gz AMIYDXSZHNHNQK-RKDXNWHRSA-N -1 3 305.334 3.317 20 10 DGCDHM Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760399 621662864 /nfs/dbraw/zinc/66/28/64/621662864.db2.gz ONSHIRXUYFIQDY-XHDPSFHLSA-N -1 3 314.341 3.393 20 10 DGCDHM Cc1ccc2c(c1)[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760394 621662877 /nfs/dbraw/zinc/66/28/77/621662877.db2.gz ONSHIRXUYFIQDY-IAQYHMDHSA-N -1 3 314.341 3.393 20 10 DGCDHM C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000756833380 621667063 /nfs/dbraw/zinc/66/70/63/621667063.db2.gz ZDULENFMIGTOOO-NSHDSACASA-N -1 3 323.389 3.249 20 10 DGCDHM Cn1cc(C(F)F)c(CNCc2cc(Cl)ccc2[O-])n1 ZINC000865808664 621999024 /nfs/dbraw/zinc/99/90/24/621999024.db2.gz AIAUSYGCPWKHIM-UHFFFAOYSA-N -1 3 301.724 3.007 20 10 DGCDHM CN(C)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1 ZINC000763955079 622170857 /nfs/dbraw/zinc/17/08/57/622170857.db2.gz VAZQIVUDUUWFAL-UHFFFAOYSA-N -1 3 304.777 3.042 20 10 DGCDHM COc1cc(C)c(NC(=O)c2cccc(O)c2[O-])c(C)c1C ZINC000805295503 622229374 /nfs/dbraw/zinc/22/93/74/622229374.db2.gz HUCOFEWWPSZWQD-UHFFFAOYSA-N -1 3 301.342 3.284 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000769498220 622533955 /nfs/dbraw/zinc/53/39/55/622533955.db2.gz SCWKDSQNQIFSAW-QPUJVOFHSA-N -1 3 309.715 3.197 20 10 DGCDHM Cc1nonc1CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000872135001 622827361 /nfs/dbraw/zinc/82/73/61/622827361.db2.gz BQZRFZKVQWMRAW-ZCFIWIBFSA-N -1 3 302.161 3.241 20 10 DGCDHM Cc1nccnc1[C@@H](C)NCc1cccc(Br)c1[O-] ZINC000873187710 623067955 /nfs/dbraw/zinc/06/79/55/623067955.db2.gz ARRXPACKXLBVBK-SNVBAGLBSA-N -1 3 322.206 3.104 20 10 DGCDHM COc1c([O-])c(CN2CC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774813902 623194968 /nfs/dbraw/zinc/19/49/68/623194968.db2.gz IOHVYTRLWSKVFV-CQSZACIVSA-N -1 3 314.341 3.256 20 10 DGCDHM COc1ccc(F)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000774928632 623208734 /nfs/dbraw/zinc/20/87/34/623208734.db2.gz ABZOERKEHBRKHX-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2c[nH]cn2)CC1 ZINC000775697486 623316108 /nfs/dbraw/zinc/31/61/08/623316108.db2.gz FAEYHYNAJLGZJY-UHFFFAOYSA-N -1 3 309.772 3.287 20 10 DGCDHM CCC(=O)Nc1ccc(C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776336678 623413469 /nfs/dbraw/zinc/41/34/69/623413469.db2.gz NAXVONNAYWENNB-UHFFFAOYSA-N -1 3 314.341 3.007 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000776691758 623452005 /nfs/dbraw/zinc/45/20/05/623452005.db2.gz MMOQVAFXJJWZSZ-QGZVFWFLSA-N -1 3 317.816 3.489 20 10 DGCDHM O=C(Nc1cccc(N2CCCCC2)c1)c1c([O-])cccc1O ZINC000125721661 623535806 /nfs/dbraw/zinc/53/58/06/623535806.db2.gz DEVVASDMITZJBH-UHFFFAOYSA-N -1 3 312.369 3.340 20 10 DGCDHM COc1ccc(CN(C)Cc2ccc(F)c(F)c2[O-])cc1F ZINC000876546489 623639745 /nfs/dbraw/zinc/63/97/45/623639745.db2.gz KZFSTUNEYJUHSY-UHFFFAOYSA-N -1 3 311.303 3.450 20 10 DGCDHM CC(C)C[C@@H](NCc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000779156391 623736554 /nfs/dbraw/zinc/73/65/54/623736554.db2.gz NJLJXHAPUIXAKI-CQSZACIVSA-N -1 3 311.397 3.377 20 10 DGCDHM Cc1n[nH]c(C)c1[C@@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877532693 623928850 /nfs/dbraw/zinc/92/88/50/623928850.db2.gz WQBSHHJPTAZRIU-ZDUSSCGKSA-N -1 3 307.344 3.347 20 10 DGCDHM COC(=O)c1coc(CNCc2c([O-])cc(C)cc2Cl)c1 ZINC000877699223 623995595 /nfs/dbraw/zinc/99/55/95/623995595.db2.gz BVNVMOUENJAPLB-UHFFFAOYSA-N -1 3 309.749 3.023 20 10 DGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1-c1ccccc1 ZINC000781012539 624009582 /nfs/dbraw/zinc/00/95/82/624009582.db2.gz GCEJNGTUTVLKPO-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CC[C@H](N[C@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1[O-] ZINC000790755322 625692438 /nfs/dbraw/zinc/69/24/38/625692438.db2.gz MVBJCIOZTYNOHA-RNCFNFMXSA-N -1 3 321.812 3.169 20 10 DGCDHM O=C1N[C@H](c2ccc(Br)cc2[O-])Nc2ccccc21 ZINC000877842195 624065802 /nfs/dbraw/zinc/06/58/02/624065802.db2.gz ASMQCRLILOEVOL-CYBMUJFWSA-N -1 3 319.158 3.009 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCCO[C@H](C)C2)c1 ZINC000781907422 624169122 /nfs/dbraw/zinc/16/91/22/624169122.db2.gz HYFUXQBGGWAOJH-LLVKDONJSA-N -1 3 314.223 3.074 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2ncsc2c1 ZINC000790945309 625718704 /nfs/dbraw/zinc/71/87/04/625718704.db2.gz JLXWFFGARXVASR-SECBINFHSA-N -1 3 314.366 3.199 20 10 DGCDHM Cn1c(=O)oc2cc(NCc3c([O-])cccc3Cl)ccc21 ZINC000127869687 624600636 /nfs/dbraw/zinc/60/06/36/624600636.db2.gz SPQIPTINWALIQQ-UHFFFAOYSA-N -1 3 304.733 3.103 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2nccnc2C)c1[O-] ZINC000880105373 624789819 /nfs/dbraw/zinc/78/98/19/624789819.db2.gz BOJMKBPMQLQAFD-JTQLQIEISA-N -1 3 319.792 3.197 20 10 DGCDHM Cn1c(=O)oc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000128601840 625047297 /nfs/dbraw/zinc/04/72/97/625047297.db2.gz SHGPKVHKEUCUKU-UHFFFAOYSA-N -1 3 304.733 3.103 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNc1cnccc1-n1cccn1 ZINC000790989268 625732234 /nfs/dbraw/zinc/73/22/34/625732234.db2.gz KFSKTRISLOYBQQ-UHFFFAOYSA-N -1 3 318.739 3.378 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1c(F)cccc1F)C1CC1 ZINC000791027448 625741805 /nfs/dbraw/zinc/74/18/05/625741805.db2.gz SFNKNJZVBUDNNZ-UHFFFAOYSA-N -1 3 319.307 3.181 20 10 DGCDHM [O-]c1ccc2oc3c(c2c1CN1CCO[C@@H](CF)C1)CCCC3 ZINC000840172187 626907233 /nfs/dbraw/zinc/90/72/33/626907233.db2.gz NEBCRIKAAPXWST-LBPRGKRZSA-N -1 3 319.376 3.188 20 10 DGCDHM CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)C1 ZINC000809697651 626938292 /nfs/dbraw/zinc/93/82/92/626938292.db2.gz LADAWIUJVBYPIS-JTQLQIEISA-N -1 3 303.233 3.225 20 10 DGCDHM CCN(C)C(=O)c1cccc(NCc2cccc(F)c2[O-])c1 ZINC000809726081 626941710 /nfs/dbraw/zinc/94/17/10/626941710.db2.gz IDYKVVJBTYBZLN-UHFFFAOYSA-N -1 3 302.349 3.235 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1ccc(CO)o1 ZINC000809775411 626951270 /nfs/dbraw/zinc/95/12/70/626951270.db2.gz ASGSBFBQYBEQJT-UHFFFAOYSA-N -1 3 302.157 3.074 20 10 DGCDHM CCC(CC)n1nc(C)cc1C(=O)NCc1c([O-])cccc1F ZINC000928707138 628179654 /nfs/dbraw/zinc/17/96/54/628179654.db2.gz ATQKAQRVCOXGFY-UHFFFAOYSA-N -1 3 319.380 3.327 20 10 DGCDHM CCCCn1ncc(C(=O)NCc2c([O-])cccc2F)c1CC ZINC000928709175 628180170 /nfs/dbraw/zinc/18/01/70/628180170.db2.gz XOIJQKXMIIPCJC-UHFFFAOYSA-N -1 3 319.380 3.020 20 10 DGCDHM CCOc1ccc(CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928711130 628180209 /nfs/dbraw/zinc/18/02/09/628180209.db2.gz DVOBRPWEUQHOEE-UHFFFAOYSA-N -1 3 317.360 3.179 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN(C(C)C)C2COC2)c1 ZINC000824472686 628663864 /nfs/dbraw/zinc/66/38/64/628663864.db2.gz XEMNBIIBNRRFQX-UHFFFAOYSA-N -1 3 314.223 3.072 20 10 DGCDHM CN(Cc1cscn1)Cc1ccc(Br)cc1[O-] ZINC000824627628 628678932 /nfs/dbraw/zinc/67/89/32/628678932.db2.gz QWRBONHSCYYALO-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@H](C(F)(F)F)C2)cc1Cl ZINC000824850738 628699902 /nfs/dbraw/zinc/69/99/02/628699902.db2.gz PNDQZOLQMMEDON-GFCCVEGCSA-N -1 3 309.715 3.117 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCOC[C@H]1c1ccc(F)cc1 ZINC000825046083 628720559 /nfs/dbraw/zinc/72/05/59/628720559.db2.gz PUNXNEGBDYUKPQ-INIZCTEOSA-N -1 3 305.324 3.244 20 10 DGCDHM c1cc(COc2ccc(N3CCCC3)cc2)cc(-c2nnn[n-]2)c1 ZINC000826516425 628854221 /nfs/dbraw/zinc/85/42/21/628854221.db2.gz KPSZSBJZFLWSEO-UHFFFAOYSA-N -1 3 321.384 3.046 20 10 DGCDHM c1cc(COc2ccc(N3CCCC3)cc2)cc(-c2nn[n-]n2)c1 ZINC000826516425 628854223 /nfs/dbraw/zinc/85/42/23/628854223.db2.gz KPSZSBJZFLWSEO-UHFFFAOYSA-N -1 3 321.384 3.046 20 10 DGCDHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000833680949 629640689 /nfs/dbraw/zinc/64/06/89/629640689.db2.gz RFNAVHWXOZGVHV-JTQLQIEISA-N -1 3 319.357 3.105 20 10 DGCDHM C[C@H](NCc1nn(C)cc1Cl)c1cc(Cl)ccc1[O-] ZINC000834881873 629795949 /nfs/dbraw/zinc/79/59/49/629795949.db2.gz CRYLXSXPSDQZLE-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM C[C@@H](O)[C@H](NCc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017760 631206397 /nfs/dbraw/zinc/20/63/97/631206397.db2.gz PVDXCXIJOOMNQU-BMIGLBTASA-N -1 3 309.768 3.396 20 10 DGCDHM C[C@@H](O)[C@@H](NCc1c([O-])cccc1Cl)c1ccccc1F ZINC000846018274 631206402 /nfs/dbraw/zinc/20/64/02/631206402.db2.gz SGQDPFRSZKOVON-QLJPJBMISA-N -1 3 309.768 3.396 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(F)cc1Cl ZINC000107218631 631570057 /nfs/dbraw/zinc/57/00/57/631570057.db2.gz KREXBPAOQDSEKB-UHFFFAOYSA-N -1 3 319.716 3.125 20 10 DGCDHM [O-]c1ccc(F)cc1CN[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848928193 631792093 /nfs/dbraw/zinc/79/20/93/631792093.db2.gz WWZZJEVBOBYFAM-WCQYABFASA-N -1 3 307.287 3.121 20 10 DGCDHM Cc1ccnc(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC000185669368 660235997 /nfs/dbraw/zinc/23/59/97/660235997.db2.gz VYPCBZADVVPQBK-UHFFFAOYSA-N -1 3 321.336 3.116 20 10 DGCDHM O=C(Nc1ccc2nc(C3CC3)oc2c1)c1cccc(O)c1[O-] ZINC000185812008 660243916 /nfs/dbraw/zinc/24/39/16/660243916.db2.gz SUZRUOXWUAIORX-UHFFFAOYSA-N -1 3 310.309 3.369 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccc(F)cc1)C1CC1 ZINC000186832741 660576640 /nfs/dbraw/zinc/57/66/40/660576640.db2.gz VZZVUWWAKGFLGY-UHFFFAOYSA-N -1 3 301.317 3.042 20 10 DGCDHM C[C@@H]1N(Cc2c([O-])cccc2Br)CCOC1(C)C ZINC000707128014 660889693 /nfs/dbraw/zinc/88/96/93/660889693.db2.gz QQYYJFAOWKWJAM-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM CCC[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000709022280 660923504 /nfs/dbraw/zinc/92/35/04/660923504.db2.gz UWASKAPDQDUIEZ-CYBMUJFWSA-N -1 3 314.223 3.156 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(C)c(C)c1O ZINC000187061902 660943844 /nfs/dbraw/zinc/94/38/44/660943844.db2.gz RLOUIRZJWRKHNT-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM Cc1cc(O)c(C(C)C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000187181655 660965045 /nfs/dbraw/zinc/96/50/45/660965045.db2.gz ONQYNBWCMQPUFH-UHFFFAOYSA-N -1 3 301.342 3.488 20 10 DGCDHM CC(C)C[C@@H](C)n1nccc1NC(=O)c1cccc(O)c1[O-] ZINC000792803774 660985500 /nfs/dbraw/zinc/98/55/00/660985500.db2.gz WLBSZIUELOPPGK-LLVKDONJSA-N -1 3 303.362 3.154 20 10 DGCDHM COC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1OC ZINC000794969168 661117745 /nfs/dbraw/zinc/11/77/45/661117745.db2.gz GRAUGZINAMEFBR-UHFFFAOYSA-N -1 3 321.760 3.453 20 10 DGCDHM C[C@@](NC(=O)NCc1c([O-])cccc1F)(C1CC1)C(F)(F)F ZINC000933558268 655720088 /nfs/dbraw/zinc/72/00/88/655720088.db2.gz FWKJYWQZZYVTBZ-CYBMUJFWSA-N -1 3 320.286 3.062 20 10 DGCDHM CCOc1ccc(OCC)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000322905512 658585882 /nfs/dbraw/zinc/58/58/82/658585882.db2.gz DQLCGPXEMCHELC-UHFFFAOYSA-N -1 3 317.341 3.148 20 10 DGCDHM COC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179892589 659944922 /nfs/dbraw/zinc/94/49/22/659944922.db2.gz XAWOFLQSFXIKTF-LLVKDONJSA-N -1 3 318.200 3.227 20 10 DGCDHM CC(C)c1ncsc1NC(=O)NCc1c([O-])cccc1F ZINC000931666203 661495738 /nfs/dbraw/zinc/49/57/38/661495738.db2.gz LQAJYFWSNNKAFK-UHFFFAOYSA-N -1 3 309.366 3.433 20 10 DGCDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(CC)CC ZINC000193129732 662123685 /nfs/dbraw/zinc/12/36/85/662123685.db2.gz IDASIWHHACTCOG-LSDHHAIUSA-N -1 3 321.417 3.154 20 10 DGCDHM CC(C)COc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001596906605 1192710143 /nfs/dbraw/zinc/71/01/43/1192710143.db2.gz HISCTFWMENWVRC-UHFFFAOYSA-N -1 3 317.360 3.496 20 10 DGCDHM Cc1cc(C)cc(CNC(=O)NCc2c([O-])cccc2F)c1 ZINC001687145334 1176032068 /nfs/dbraw/zinc/03/20/68/1176032068.db2.gz OVZRIYGFQVLZKZ-UHFFFAOYSA-N -1 3 302.349 3.148 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)c1[O-] ZINC001600218890 1192812180 /nfs/dbraw/zinc/81/21/80/1192812180.db2.gz DZGICPIRHGIUNS-CQSZACIVSA-N -1 3 323.751 3.409 20 10 DGCDHM O=C([O-])[C@@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601808770 1192946607 /nfs/dbraw/zinc/94/66/07/1192946607.db2.gz OFKFFPMTVMDASK-IAGOWNOFSA-N -1 3 311.381 3.402 20 10 DGCDHM CCN(c1nnc(-c2sc3ncccc3c2[O-])n1C)C(C)C ZINC001351382282 1180207583 /nfs/dbraw/zinc/20/75/83/1180207583.db2.gz DSLZNHCPADQHHY-UHFFFAOYSA-N -1 3 317.418 3.032 20 10 DGCDHM [O-]c1cccnc1CNC(=S)Nc1cccc2ccccc21 ZINC001200116755 1180388055 /nfs/dbraw/zinc/38/80/55/1180388055.db2.gz USMJKDOSWCJGIP-UHFFFAOYSA-N -1 3 309.394 3.427 20 10 DGCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])CC(F)(F)F ZINC001604184174 1193059200 /nfs/dbraw/zinc/05/92/00/1193059200.db2.gz HTBMFJNLTKKYHV-BDAKNGLRSA-N -1 3 305.296 3.330 20 10 DGCDHM C[C@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336521 1193066110 /nfs/dbraw/zinc/06/61/10/1193066110.db2.gz GNODKSQWKWMIAO-ZDUSSCGKSA-N -1 3 320.433 3.006 20 10 DGCDHM CCOc1ccc(N(CC)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001604459974 1193073468 /nfs/dbraw/zinc/07/34/68/1193073468.db2.gz IXTSTGHUTHKILJ-UHFFFAOYSA-N -1 3 323.400 3.292 20 10 DGCDHM CCOc1ccc(N(CC)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001604459974 1193073472 /nfs/dbraw/zinc/07/34/72/1193073472.db2.gz IXTSTGHUTHKILJ-UHFFFAOYSA-N -1 3 323.400 3.292 20 10 DGCDHM C[C@@H](Cc1cccc(F)c1)C(=O)NCc1c([O-])cccc1F ZINC001456109428 1182398023 /nfs/dbraw/zinc/39/80/23/1182398023.db2.gz YMPLIDZJARHOBH-NSHDSACASA-N -1 3 305.324 3.165 20 10 DGCDHM Cc1ccc(C)c(OCCC(=O)NCc2c([O-])cccc2F)c1 ZINC001456100308 1182398085 /nfs/dbraw/zinc/39/80/85/1182398085.db2.gz RSKCOQCIYXGHSX-UHFFFAOYSA-N -1 3 317.360 3.233 20 10 DGCDHM CCc1nc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cs1 ZINC001605851544 1193179925 /nfs/dbraw/zinc/17/99/25/1193179925.db2.gz HSRXZILQCLNRSJ-JTQLQIEISA-N -1 3 320.414 3.003 20 10 DGCDHM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC001606055444 1193188269 /nfs/dbraw/zinc/18/82/69/1193188269.db2.gz JMUNCHMOHYOZQJ-UHFFFAOYSA-N -1 3 318.804 3.394 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001471975712 1183604064 /nfs/dbraw/zinc/60/40/64/1183604064.db2.gz DSQKBLCLALNFBB-OLZOCXBDSA-N -1 3 303.308 3.090 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ncc(Cl)cc1Cl ZINC001471975707 1183604467 /nfs/dbraw/zinc/60/44/67/1183604467.db2.gz DOLYXXRRFONTQL-UHFFFAOYSA-N -1 3 315.131 3.163 20 10 DGCDHM CC(=O)N1CCc2c1cccc2NCc1cc(F)c(F)cc1[O-] ZINC001474464455 1183925728 /nfs/dbraw/zinc/92/57/28/1183925728.db2.gz BFPQQLUDXORETP-UHFFFAOYSA-N -1 3 318.323 3.192 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC=CCCC1 ZINC001479551343 1184267161 /nfs/dbraw/zinc/26/71/61/1184267161.db2.gz NTAAIOFABJGGMV-ZDUSSCGKSA-N -1 3 306.381 3.467 20 10 DGCDHM C[C@H](C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001609742430 1193353521 /nfs/dbraw/zinc/35/35/21/1193353521.db2.gz RBCPKPSEWVLPBP-CYBMUJFWSA-N -1 3 317.360 3.254 20 10 DGCDHM C[C@H](C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001609742430 1193353534 /nfs/dbraw/zinc/35/35/34/1193353534.db2.gz RBCPKPSEWVLPBP-CYBMUJFWSA-N -1 3 317.360 3.254 20 10 DGCDHM CCCC[N@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1[O-] ZINC001609970203 1193369967 /nfs/dbraw/zinc/36/99/67/1193369967.db2.gz DTRFCFZTERMSCH-UHFFFAOYSA-N -1 3 303.358 3.486 20 10 DGCDHM CCCC[N@@H+](Cc1ccoc1C(=O)[O-])Cc1ccccc1[O-] ZINC001609970203 1193369970 /nfs/dbraw/zinc/36/99/70/1193369970.db2.gz DTRFCFZTERMSCH-UHFFFAOYSA-N -1 3 303.358 3.486 20 10 DGCDHM CSc1cc(C(=O)[N-]c2c3nonc3ccc2Cl)co1 ZINC001543805924 1188364100 /nfs/dbraw/zinc/36/41/00/1188364100.db2.gz PRKDIGXJKGACBV-UHFFFAOYSA-N -1 3 309.734 3.443 20 10 DGCDHM CCN(CC)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001558454929 1189126516 /nfs/dbraw/zinc/12/65/16/1189126516.db2.gz HUCHNRHBWPHJLW-UHFFFAOYSA-N -1 3 316.376 3.308 20 10 DGCDHM [O-]c1cccc(F)c1CNc1nnc(-c2ccccn2)s1 ZINC001559285020 1189191809 /nfs/dbraw/zinc/19/18/09/1189191809.db2.gz ZZDVBAIONNINJL-UHFFFAOYSA-N -1 3 302.334 3.057 20 10 DGCDHM Cc1csc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001560673397 1189358152 /nfs/dbraw/zinc/35/81/52/1189358152.db2.gz OMJDTXZWCDCEBK-UHFFFAOYSA-N -1 3 323.849 3.133 20 10 DGCDHM COc1c(C)cnc(CN(C)Cc2cc(F)c(F)cc2[O-])c1C ZINC001560747739 1189374246 /nfs/dbraw/zinc/37/42/46/1189374246.db2.gz WUHWWOCRDMBKJT-UHFFFAOYSA-N -1 3 322.355 3.323 20 10 DGCDHM Cc1ccnc(C2CCN(Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001561037062 1189424743 /nfs/dbraw/zinc/42/47/43/1189424743.db2.gz UUYBPOPJCXETPA-UHFFFAOYSA-N -1 3 319.355 3.148 20 10 DGCDHM O=C(Nc1c2c(cc3c1CCC3)CCC2)c1cccc(O)c1[O-] ZINC001569983140 1190778553 /nfs/dbraw/zinc/77/85/53/1190778553.db2.gz PZLSPHJSQZQLIE-UHFFFAOYSA-N -1 3 309.365 3.328 20 10 DGCDHM CN1CCN(Cc2cc(F)cc(F)c2[O-])[C@@H](c2ccccc2)C1 ZINC001621112245 1193803636 /nfs/dbraw/zinc/80/36/36/1193803636.db2.gz ICFOQVVBHNBNFB-QGZVFWFLSA-N -1 3 318.367 3.159 20 10 DGCDHM O=C1Nc2ccc(NCc3cc(F)c(F)cc3[O-])cc2CO1 ZINC001621438941 1193843129 /nfs/dbraw/zinc/84/31/29/1193843129.db2.gz DASPFFYJRQIMJD-UHFFFAOYSA-N -1 3 306.268 3.345 20 10 DGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])cc(OC)c1Cl ZINC001629589488 1194242688 /nfs/dbraw/zinc/24/26/88/1194242688.db2.gz NVYXAXOUDLGASO-UHFFFAOYSA-N -1 3 323.732 3.021 20 10 DGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])c2cc(F)ccc21 ZINC001631910722 1194362422 /nfs/dbraw/zinc/36/24/22/1194362422.db2.gz XHPFYDZKYRXTRI-UHFFFAOYSA-N -1 3 301.317 3.175 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CSc2ccccc21 ZINC001632076324 1194369955 /nfs/dbraw/zinc/36/99/55/1194369955.db2.gz HMBPJDJBKVHJEA-CYBMUJFWSA-N -1 3 318.373 3.178 20 10 DGCDHM O=C(Nc1nc2cc(F)c(Cl)cc2[nH]1)c1cccc(O)c1[O-] ZINC001641771487 1194870497 /nfs/dbraw/zinc/87/04/97/1194870497.db2.gz UDTONOYHOINEQM-UHFFFAOYSA-N -1 3 321.695 3.019 20 10 DGCDHM O=C(Cc1coc2cc(F)ccc12)NCc1c([O-])cccc1F ZINC001645048081 1195152210 /nfs/dbraw/zinc/15/22/10/1195152210.db2.gz GDCQERAVFQJIDA-UHFFFAOYSA-N -1 3 317.291 3.276 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)cc2ccncc21 ZINC001646035467 1195211879 /nfs/dbraw/zinc/21/18/79/1195211879.db2.gz WNGCUOPDLVKLGG-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM CCn1c2ccccc2nc1CNCc1cc(F)cc(F)c1[O-] ZINC001652146522 1195553560 /nfs/dbraw/zinc/55/35/60/1195553560.db2.gz PYKVKZIIBQBYOA-UHFFFAOYSA-N -1 3 317.339 3.330 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c[nH]cc1Cc1ccccc1 ZINC001652298954 1195578033 /nfs/dbraw/zinc/57/80/33/1195578033.db2.gz WDINOHZELORCPA-UHFFFAOYSA-N -1 3 324.355 3.380 20 10 DGCDHM CCOC(=O)[C@@H]1C2CCC(CC2)N1Cc1ccc(Cl)cc1[O-] ZINC001652520143 1195610183 /nfs/dbraw/zinc/61/01/83/1195610183.db2.gz TTZMDVPJRJGSOP-INORYPFCSA-N -1 3 323.820 3.352 20 10 DGCDHM Cc1cc(NCc2c([O-])cccc2F)nc(-c2ccccn2)n1 ZINC001655875966 1195972559 /nfs/dbraw/zinc/97/25/59/1195972559.db2.gz KQGGHSGVUQVBMN-UHFFFAOYSA-N -1 3 310.332 3.304 20 10 DGCDHM CC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001658120107 1196214056 /nfs/dbraw/zinc/21/40/56/1196214056.db2.gz RMXCPFMFXWRIKQ-UHFFFAOYSA-N -1 3 302.305 3.056 20 10 DGCDHM Cc1cccc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC001659280457 1196366767 /nfs/dbraw/zinc/36/67/67/1196366767.db2.gz KIONAFOEDDHHRH-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM CC[C@H](C)C[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC001659531603 1196392527 /nfs/dbraw/zinc/39/25/27/1196392527.db2.gz HZGXGZYRUKLVJY-IINYFYTJSA-N -1 3 313.825 3.421 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1nc2c(s1)CCCC2 ZINC001667730761 1197383346 /nfs/dbraw/zinc/38/33/46/1197383346.db2.gz DGPGWHLQNABKII-UHFFFAOYSA-N -1 3 321.377 3.188 20 10 DGCDHM COc1cc(C)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001668032690 1197396433 /nfs/dbraw/zinc/39/64/33/1197396433.db2.gz ODXAJRYVFHYLIF-UHFFFAOYSA-N -1 3 304.321 3.170 20 10 DGCDHM CC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1C ZINC001669450029 1197455396 /nfs/dbraw/zinc/45/53/96/1197455396.db2.gz KNPNSOZUHABJBU-UHFFFAOYSA-N -1 3 316.332 3.364 20 10 DGCDHM Cc1cc(F)c(CNC(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001676315770 1198287017 /nfs/dbraw/zinc/28/70/17/1198287017.db2.gz VWWACFCKHIOSJZ-UHFFFAOYSA-N -1 3 324.302 3.117 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2ccc(F)cc21 ZINC001677287535 1198509888 /nfs/dbraw/zinc/50/98/88/1198509888.db2.gz FFXIXOWDNYHPHC-OAHLLOKOSA-N -1 3 318.323 3.157 20 10 DGCDHM O=C([O-])[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC001594900417 954623777 /nfs/dbraw/zinc/62/37/77/954623777.db2.gz OBDKHNXVUHCFJQ-BZUAXINKSA-N -1 3 309.365 3.282 20 10 DGCDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001574214622 962937682 /nfs/dbraw/zinc/93/76/82/962937682.db2.gz ZXNRMZBVMYAPHH-INIZCTEOSA-N -1 3 303.333 3.058 20 10 DGCDHM CC[C@H]([NH2+]Cc1cccc(OCC(=O)[O-])c1)c1ccccc1[O-] ZINC001595304850 980440535 /nfs/dbraw/zinc/44/05/35/980440535.db2.gz JKDRBIDXTZOASP-INIZCTEOSA-N -1 3 315.369 3.097 20 10 DGCDHM CC[C@H](C)C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001594954324 982685949 /nfs/dbraw/zinc/68/59/49/982685949.db2.gz XUQHDADMHXJFKP-JOYOIKCWSA-N -1 3 315.797 3.033 20 10 DGCDHM CCN(Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1ccc(N(C)C)cc1 ZINC001596365025 983857247 /nfs/dbraw/zinc/85/72/47/983857247.db2.gz XBJICSXIVUTXNO-UHFFFAOYSA-N -1 3 315.417 3.109 20 10 DGCDHM CCOC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCCC1 ZINC001596796833 985294804 /nfs/dbraw/zinc/29/48/04/985294804.db2.gz OWELOPXETLRWIJ-GFCCVEGCSA-N -1 3 307.390 3.090 20 10 DGCDHM CCOC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCCC1 ZINC001596796834 985294892 /nfs/dbraw/zinc/29/48/92/985294892.db2.gz OWELOPXETLRWIJ-LBPRGKRZSA-N -1 3 307.390 3.090 20 10 DGCDHM C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230047 994356503 /nfs/dbraw/zinc/35/65/03/994356503.db2.gz BFEUYJSZAGBQHV-RBOXIYTFSA-N -1 3 321.417 3.335 20 10 DGCDHM C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230046 994357137 /nfs/dbraw/zinc/35/71/37/994357137.db2.gz BFEUYJSZAGBQHV-NORZTCDRSA-N -1 3 321.417 3.335 20 10 DGCDHM C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241265 994437165 /nfs/dbraw/zinc/43/71/65/994437165.db2.gz YYSYDKQNVNNNLE-GFCCVEGCSA-N -1 3 314.385 3.114 20 10 DGCDHM COC1(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CCC(C)CC1 ZINC001599091182 997194881 /nfs/dbraw/zinc/19/48/81/997194881.db2.gz LETPRSHPOQLEPO-XYEKJYRLSA-N -1 3 321.417 3.336 20 10 DGCDHM Cc1cccc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)n1 ZINC001140461816 1082258633 /nfs/dbraw/zinc/25/86/33/1082258633.db2.gz ULUAEURHYDDCPF-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM CC[C@@H]1C[C@H]1CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC001167741289 1083366862 /nfs/dbraw/zinc/36/68/62/1083366862.db2.gz SIGYSJSCXUJUTH-NEPJUHHUSA-N -1 3 311.809 3.067 20 10 DGCDHM CN(Cc1cccc2c1OCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142534653 1087279598 /nfs/dbraw/zinc/27/95/98/1087279598.db2.gz QVWRPYPBZPFZOP-UHFFFAOYSA-N -1 3 307.296 3.031 20 10 DGCDHM O=C(C[C@@H]1C[C@H]1Cc1ccccc1)NCc1c([O-])cccc1F ZINC001156177636 1089420570 /nfs/dbraw/zinc/42/05/70/1089420570.db2.gz LUNPLKRHWPKQHS-CABCVRRESA-N -1 3 313.372 3.416 20 10 DGCDHM O=C(NCc1cc(Cl)cc(Cl)c1)c1cccc(O)c1[O-] ZINC001166479305 1090609971 /nfs/dbraw/zinc/60/99/71/1090609971.db2.gz ZNVYELBYTYWWAI-UHFFFAOYSA-N -1 3 312.152 3.335 20 10 DGCDHM C[C@]1(F)CCN(Cc2cc(Br)ccc2[O-])C[C@H]1F ZINC001203636605 1090771019 /nfs/dbraw/zinc/77/10/19/1090771019.db2.gz YFYPSVCFFSSSLG-OLZOCXBDSA-N -1 3 320.177 3.427 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](CF)C1 ZINC000715806055 1091009191 /nfs/dbraw/zinc/00/91/91/1091009191.db2.gz PHWWRFQAFLOSQS-SECBINFHSA-N -1 3 320.177 3.475 20 10 DGCDHM COc1ccc(CN(C)Cc2c([O-])cccc2F)cc1OC ZINC001137837500 1091206578 /nfs/dbraw/zinc/20/65/78/1091206578.db2.gz JJHQWPKTQYWSPN-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM CN1CCN(Cc2c(F)ccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC001139685397 1091641445 /nfs/dbraw/zinc/64/14/45/1091641445.db2.gz XZUQUFPLCUOEFZ-KRWDZBQOSA-N -1 3 318.367 3.159 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCc2cnccc2C1 ZINC001140098930 1091767194 /nfs/dbraw/zinc/76/71/94/1091767194.db2.gz UESAKMBTDYAYHP-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCc2cc3c(cc2C1)OCO3 ZINC001140338176 1091834077 /nfs/dbraw/zinc/83/40/77/1091834077.db2.gz YOGPIVWDCNHSDK-UHFFFAOYSA-N -1 3 317.772 3.333 20 10 DGCDHM COC(=O)c1cccc(CN(C)Cc2c([O-])cccc2Cl)c1 ZINC001140341711 1091835017 /nfs/dbraw/zinc/83/50/17/1091835017.db2.gz DJNTWBLXAQCPDS-UHFFFAOYSA-N -1 3 319.788 3.464 20 10 DGCDHM Cc1cnccc1O[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140586032 1091921590 /nfs/dbraw/zinc/92/15/90/1091921590.db2.gz ZTQBOZNOKNUYMY-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1cccc2c1OC(F)(F)O2 ZINC001207621804 1092046982 /nfs/dbraw/zinc/04/69/82/1092046982.db2.gz JYQLQPZUPXSXJH-UHFFFAOYSA-N -1 3 311.259 3.143 20 10 DGCDHM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001298514748 1092067189 /nfs/dbraw/zinc/06/71/89/1092067189.db2.gz ZIURPFJMXNWWDH-GJZGRUSLSA-N -1 3 311.381 3.412 20 10 DGCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c2ccccc12 ZINC001142290030 1092459511 /nfs/dbraw/zinc/45/95/11/1092459511.db2.gz SMIYIXCSMZPJSF-UHFFFAOYSA-N -1 3 307.349 3.489 20 10 DGCDHM Cc1ccc(O[C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142530181 1092495325 /nfs/dbraw/zinc/49/53/25/1092495325.db2.gz ADUCVBZDWSVOJP-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001142530960 1092496149 /nfs/dbraw/zinc/49/61/49/1092496149.db2.gz MTBITJQVCPPXQQ-AWEZNQCLSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001142531338 1092497713 /nfs/dbraw/zinc/49/77/13/1092497713.db2.gz VFDZUZBTYRQRMB-CQSZACIVSA-N -1 3 323.314 3.463 20 10 DGCDHM Cc1c2cccc(-c3noc(-c4cccc(O)c4[O-])n3)c2nn1C ZINC001215145711 1093927107 /nfs/dbraw/zinc/92/71/07/1093927107.db2.gz DTHCPIXCWYZATF-UHFFFAOYSA-N -1 3 322.324 3.010 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc3ncsc3c2)no1 ZINC001215145847 1093927113 /nfs/dbraw/zinc/92/71/13/1093927113.db2.gz MTUZVVOIYXGALV-UHFFFAOYSA-N -1 3 311.322 3.425 20 10 DGCDHM Cc1ccc(Cl)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325428 1093960269 /nfs/dbraw/zinc/96/02/69/1093960269.db2.gz SBBYGQNCIGKFFH-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)ccc1Cl ZINC001215325456 1093960551 /nfs/dbraw/zinc/96/05/51/1093960551.db2.gz UOVQDMRJWHPKTO-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc3occc32)no1 ZINC001215325408 1093960693 /nfs/dbraw/zinc/96/06/93/1093960693.db2.gz RDCUJYNOIXKFOG-UHFFFAOYSA-N -1 3 310.265 3.267 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccccc2Cl)no1 ZINC001215325155 1093961012 /nfs/dbraw/zinc/96/10/12/1093961012.db2.gz DTAFTLGKBMZHNM-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cc(F)cc(Cl)c3)no2)cc1O ZINC001215327738 1093961739 /nfs/dbraw/zinc/96/17/39/1093961739.db2.gz QLQSTKFUMIUGSW-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cn1ccc2cc(-c3noc(-c4cc(O)c([O-])c(O)c4)n3)ccc21 ZINC001215327672 1093961796 /nfs/dbraw/zinc/96/17/96/1093961796.db2.gz NOJPROXYHPPBQO-UHFFFAOYSA-N -1 3 323.308 3.012 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc4c3CCCC4)no2)cc1O ZINC001215327452 1093961807 /nfs/dbraw/zinc/96/18/07/1093961807.db2.gz BJTQGKWBVMMZHT-UHFFFAOYSA-N -1 3 324.336 3.399 20 10 DGCDHM Cc1ncccc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216952056 1094283514 /nfs/dbraw/zinc/28/35/14/1094283514.db2.gz ROVMYCPGHPMVCA-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM Cc1cc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cnc1C ZINC001216952387 1094283659 /nfs/dbraw/zinc/28/36/59/1094283659.db2.gz YCKLUAKSPODICU-UHFFFAOYSA-N -1 3 317.732 3.480 20 10 DGCDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1c([O-])ccc3ccncc31)C2 ZINC001116145587 1095469708 /nfs/dbraw/zinc/46/97/08/1095469708.db2.gz JLPDKTNUMCGZJB-UHFFFAOYSA-N -1 3 321.336 3.364 20 10 DGCDHM Cc1cc(F)ccc1N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138129477 1095898064 /nfs/dbraw/zinc/89/80/64/1095898064.db2.gz FXZWEBXOZLGCDY-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC2(C=Cc3ccccc32)CC1 ZINC001148212255 1096327768 /nfs/dbraw/zinc/32/77/68/1096327768.db2.gz UBEKWMRWDINOSW-UHFFFAOYSA-N -1 3 321.376 3.299 20 10 DGCDHM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001148224449 1096329851 /nfs/dbraw/zinc/32/98/51/1096329851.db2.gz MDEKODIBGCUTOK-IHETXDGRSA-N -1 3 323.392 3.410 20 10 DGCDHM CC(C)[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccc(F)cc1 ZINC001148589569 1096408985 /nfs/dbraw/zinc/40/89/85/1096408985.db2.gz CDWKBFCJZZRQKI-OAHLLOKOSA-N -1 3 319.332 3.070 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC001231452145 1097752192 /nfs/dbraw/zinc/75/21/92/1097752192.db2.gz FNVWRSKDKBXFJZ-CYBMUJFWSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c([O-])c1 ZINC001231452145 1097752195 /nfs/dbraw/zinc/75/21/95/1097752195.db2.gz FNVWRSKDKBXFJZ-CYBMUJFWSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001231453058 1097754054 /nfs/dbraw/zinc/75/40/54/1097754054.db2.gz DUYGDUPOXLLFJD-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001231453058 1097754057 /nfs/dbraw/zinc/75/40/57/1097754057.db2.gz DUYGDUPOXLLFJD-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(C)c3ncccc3C2)cc1Cl ZINC001231869137 1097869978 /nfs/dbraw/zinc/86/99/78/1097869978.db2.gz JNOIDGCNVBZXMX-UHFFFAOYSA-N -1 3 317.820 3.201 20 10 DGCDHM CSCCN(C)Cc1c([O-])cc(Br)cc1F ZINC001233030368 1098207136 /nfs/dbraw/zinc/20/71/36/1098207136.db2.gz QSILWBWUNTYPNS-UHFFFAOYSA-N -1 3 308.216 3.089 20 10 DGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])C[C@H]12 ZINC001233076923 1098219651 /nfs/dbraw/zinc/21/96/51/1098219651.db2.gz XZIWFNIVEZBQGK-KBPBESRZSA-N -1 3 315.319 3.082 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(c2cccnc2)CC1 ZINC001233335596 1098293271 /nfs/dbraw/zinc/29/32/71/1098293271.db2.gz CODZWLSXJZNSJT-UHFFFAOYSA-N -1 3 304.340 3.445 20 10 DGCDHM Cc1cccc(O[C@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)n1 ZINC001233336275 1098293719 /nfs/dbraw/zinc/29/37/19/1098293719.db2.gz GDHQIXMTVGECQY-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1ccc(F)c(CN2CCCc3cc(O)c(O)cc3C2)c1F ZINC001233396519 1098314222 /nfs/dbraw/zinc/31/42/22/1098314222.db2.gz HFHDAANMFHGJSM-UHFFFAOYSA-N -1 3 321.323 3.030 20 10 DGCDHM COc1nc(C)cc(C)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC001177641435 1098571316 /nfs/dbraw/zinc/57/13/16/1098571316.db2.gz CUYGMZHLDCNRPX-UHFFFAOYSA-N -1 3 324.783 3.495 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@]2(CCCO2)C1 ZINC001236794292 1099787656 /nfs/dbraw/zinc/78/76/56/1099787656.db2.gz RIMNEMICQOLRDA-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC001236797726 1099792253 /nfs/dbraw/zinc/79/22/53/1099792253.db2.gz INNNKGCCZWUWFW-WFASDCNBSA-N -1 3 323.820 3.388 20 10 DGCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236801152 1099795801 /nfs/dbraw/zinc/79/58/01/1099795801.db2.gz AXTQLRKNCAIREK-AWEZNQCLSA-N -1 3 318.200 3.084 20 10 DGCDHM COC(=O)C[C@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236802285 1099795890 /nfs/dbraw/zinc/79/58/90/1099795890.db2.gz ITAMSHSVYQMYCE-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@]1(C)O ZINC001237078098 1099959053 /nfs/dbraw/zinc/95/90/53/1099959053.db2.gz NSPZCTIWJMDGPA-XPTSAGLGSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@]2(CCO2)C1 ZINC001237085299 1099965214 /nfs/dbraw/zinc/96/52/14/1099965214.db2.gz XRMIYDJDLLZFHX-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM Cc1cc([O-])c(CN2CCC(F)(F)C2)cc1Br ZINC001237677310 1100211845 /nfs/dbraw/zinc/21/18/45/1100211845.db2.gz LJNAFTMJJUYNEA-UHFFFAOYSA-N -1 3 306.150 3.304 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2ccon2)cc1Br ZINC001237682244 1100211779 /nfs/dbraw/zinc/21/17/79/1100211779.db2.gz OPVFHHPZLIYTIT-UHFFFAOYSA-N -1 3 311.179 3.083 20 10 DGCDHM CC[N@H+](Cc1ccccc1[O-])Cc1ccc(F)cc1C(=O)[O-] ZINC001238239208 1100402026 /nfs/dbraw/zinc/40/20/26/1100402026.db2.gz SOUHNUIBKBICNM-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM CC[N@@H+](Cc1ccccc1[O-])Cc1ccc(F)cc1C(=O)[O-] ZINC001238239208 1100402027 /nfs/dbraw/zinc/40/20/27/1100402027.db2.gz SOUHNUIBKBICNM-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1CC(CC(F)F)C1 ZINC001328207861 1103874116 /nfs/dbraw/zinc/87/41/16/1103874116.db2.gz DPKCIXIQEWVFTH-UHFFFAOYSA-N -1 3 306.150 3.242 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CCC(=O)[C@@H](F)C2)cc1Cl ZINC001248883915 1105186400 /nfs/dbraw/zinc/18/64/00/1105186400.db2.gz RUHWJTOJBAJPGU-ZDUSSCGKSA-N -1 3 313.800 3.456 20 10 DGCDHM CC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2C)ccc1O ZINC001254786376 1106141776 /nfs/dbraw/zinc/14/17/76/1106141776.db2.gz KRBRZIOSKLLFKU-UHFFFAOYSA-N -1 3 319.382 3.012 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1C ZINC001259168261 1107089899 /nfs/dbraw/zinc/08/98/99/1107089899.db2.gz UJXVPOMAFULZRX-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM Cc1ccc2nc(C(=O)NCc3c([O-])cccc3F)ccc2c1 ZINC001303875211 1111156660 /nfs/dbraw/zinc/15/66/60/1111156660.db2.gz CYUYGJFLMKEQGI-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM Cc1cnc([C@H](NCc2cc([N+](=O)[O-])ccc2[O-])C2CC2)s1 ZINC001308291356 1111412293 /nfs/dbraw/zinc/41/22/93/1111412293.db2.gz XSYPOBYBWPHUOD-CQSZACIVSA-N -1 3 319.386 3.306 20 10 DGCDHM CCOC(OCC)[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC001308558275 1111443996 /nfs/dbraw/zinc/44/39/96/1111443996.db2.gz HLCKJYYNXWKFFY-VIFPVBQESA-N -1 3 305.777 3.062 20 10 DGCDHM CN(Cc1cc(F)c(F)cc1[O-])Cc1ccccc1[N+](=O)[O-] ZINC001308587175 1111447431 /nfs/dbraw/zinc/44/74/31/1111447431.db2.gz DLYHSVCUKCFWCZ-UHFFFAOYSA-N -1 3 308.284 3.211 20 10 DGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])CCN1CC(F)(F)F ZINC001308607836 1111449942 /nfs/dbraw/zinc/44/99/42/1111449942.db2.gz PMDWXHKDLZOBCA-JTQLQIEISA-N -1 3 322.758 3.114 20 10 DGCDHM CN(C)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001311138328 1111585839 /nfs/dbraw/zinc/58/58/39/1111585839.db2.gz TURRWYUUBYLCQS-UHFFFAOYSA-N -1 3 321.327 3.058 20 10 DGCDHM Cc1ccc(F)c(CCNC(=O)NCc2c([O-])cccc2F)c1 ZINC001312705145 1111667910 /nfs/dbraw/zinc/66/79/10/1111667910.db2.gz ITKNGRQQWNZLIF-UHFFFAOYSA-N -1 3 320.339 3.021 20 10 DGCDHM CN1CCCc2cc(CNCc3cc([O-])cc(F)c3)ccc21 ZINC000185499683 530065816 /nfs/dbraw/zinc/06/58/16/530065816.db2.gz LJWCYIPHOVSFGX-UHFFFAOYSA-N -1 3 300.377 3.204 20 10 DGCDHM C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncnn1C ZINC000278387451 299344929 /nfs/dbraw/zinc/34/49/29/299344929.db2.gz DKYPTLCKWUYJIG-YUMQZZPRSA-N -1 3 315.204 3.239 20 10 DGCDHM C[C@@H](N[C@@H](C)c1nncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278664984 296152637 /nfs/dbraw/zinc/15/26/37/296152637.db2.gz IXRGPURGAWVBAL-SFYZADRCSA-N -1 3 315.204 3.239 20 10 DGCDHM C[C@@H](NCc1ccccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000174668197 533459329 /nfs/dbraw/zinc/45/93/29/533459329.db2.gz RGQIFYAQXUTOIE-LLVKDONJSA-N -1 3 313.332 3.432 20 10 DGCDHM COCc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273299374 130105177 /nfs/dbraw/zinc/10/51/77/130105177.db2.gz AZCVLIVDVAEIAO-GFCCVEGCSA-N -1 3 316.357 3.298 20 10 DGCDHM COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447795 130123893 /nfs/dbraw/zinc/12/38/93/130123893.db2.gz FLNOIHAAEABZBF-WBMJQRKESA-N -1 3 316.357 3.339 20 10 DGCDHM C[C@@H](N[C@H](C)c1ccc(Br)cc1[O-])c1cnn(C)c1 ZINC000273563776 130137115 /nfs/dbraw/zinc/13/71/15/130137115.db2.gz IUCJTWOJHGFIKU-NXEZZACHSA-N -1 3 324.222 3.300 20 10 DGCDHM CCc1noc(CC)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604014 130144328 /nfs/dbraw/zinc/14/43/28/130144328.db2.gz SODYCJPMUAYXSF-SNVBAGLBSA-N -1 3 319.361 3.264 20 10 DGCDHM CC[C@@H](NCc1cnn(CCOC)c1)c1cccc(Cl)c1[O-] ZINC000286988568 131259239 /nfs/dbraw/zinc/25/92/39/131259239.db2.gz JLQKAFKQSPKKOF-OAHLLOKOSA-N -1 3 323.824 3.129 20 10 DGCDHM Cc1c2ccccc2n(C)c1C[N-]c1nnc([C@@H]2CCCO2)o1 ZINC000287703516 131295137 /nfs/dbraw/zinc/29/51/37/131295137.db2.gz MZHBGYQFWPURAK-HNNXBMFYSA-N -1 3 312.373 3.333 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@@H]2C)c([O-])c1O ZINC000182452993 292067657 /nfs/dbraw/zinc/06/76/57/292067657.db2.gz ZPJFBVKAUSVANG-ZFWWWQNUSA-N -1 3 311.381 3.424 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])c1cc(C)ncn1 ZINC000089602651 401230007 /nfs/dbraw/zinc/23/00/07/401230007.db2.gz HVBQFAWKUJWUTR-UHFFFAOYSA-N -1 3 322.206 3.280 20 10 DGCDHM COc1cccc(C2(NCc3cc([N+](=O)[O-])ccc3[O-])CC2)c1 ZINC000150895868 432200440 /nfs/dbraw/zinc/20/04/40/432200440.db2.gz ROTVATWFBQAHQU-UHFFFAOYSA-N -1 3 314.341 3.088 20 10 DGCDHM Cc1ccc(C(=O)N2CCc3sccc3[C@H]2C)c([O-])c1O ZINC000272569291 278788479 /nfs/dbraw/zinc/78/84/79/278788479.db2.gz HVOKOMFXAJFAGU-SNVBAGLBSA-N -1 3 303.383 3.227 20 10 DGCDHM CC[C@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559375 288076079 /nfs/dbraw/zinc/07/60/79/288076079.db2.gz GEJPOJXNICYJRW-MFKMUULPSA-N -1 3 312.841 3.390 20 10 DGCDHM COc1cccc(CNCc2c([O-])cccc2Cl)c1OC ZINC000113324709 431341446 /nfs/dbraw/zinc/34/14/46/431341446.db2.gz QTXSEKXNJFDKRQ-UHFFFAOYSA-N -1 3 307.777 3.353 20 10 DGCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000080357802 431766667 /nfs/dbraw/zinc/76/66/67/431766667.db2.gz MREBVLLMEQCVCE-UHFFFAOYSA-N -1 3 305.399 3.454 20 10 DGCDHM CCC1(O)CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000271169159 432343558 /nfs/dbraw/zinc/34/35/58/432343558.db2.gz DJOMLMZERMQLPW-UHFFFAOYSA-N -1 3 304.217 3.436 20 10 DGCDHM COc1cc(CN(C)Cc2ccccc2[O-])c([N+](=O)[O-])cc1F ZINC000184256817 432373142 /nfs/dbraw/zinc/37/31/42/432373142.db2.gz ITMQIYIGTUNTAN-UHFFFAOYSA-N -1 3 320.320 3.080 20 10 DGCDHM COc1ccccc1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193015052 432439940 /nfs/dbraw/zinc/43/99/40/432439940.db2.gz YUXFEZLWPPAHTE-AWEZNQCLSA-N -1 3 313.353 3.084 20 10 DGCDHM C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193068809 432445551 /nfs/dbraw/zinc/44/55/51/432445551.db2.gz XBTHQMVMMATXNQ-IBGZPJMESA-N -1 3 311.381 3.292 20 10 DGCDHM C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000184982493 432452255 /nfs/dbraw/zinc/45/22/55/432452255.db2.gz BYBJDIFMPNMKNL-GZMMTYOYSA-N -1 3 317.216 3.018 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000187062381 432644636 /nfs/dbraw/zinc/64/46/36/432644636.db2.gz NKHRYXZDQSXCEC-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM [O-]c1ccccc1CN(Cc1ccc(F)cn1)C[C@H]1CCCO1 ZINC000276198331 432782256 /nfs/dbraw/zinc/78/22/56/432782256.db2.gz JCVLUEPMWGHOLX-QGZVFWFLSA-N -1 3 316.376 3.108 20 10 DGCDHM CCc1c(NC(=O)c2cccc(O)c2[O-])cnn1CCC(C)C ZINC000276985683 432827997 /nfs/dbraw/zinc/82/79/97/432827997.db2.gz BPJAFSRQLXKFCV-UHFFFAOYSA-N -1 3 317.389 3.155 20 10 DGCDHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000277111751 432830329 /nfs/dbraw/zinc/83/03/29/432830329.db2.gz AMEQYAAGHVEIRD-ACJLOTCBSA-N -1 3 311.381 3.173 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278309929 432891137 /nfs/dbraw/zinc/89/11/37/432891137.db2.gz WPJVSYFJGNJYTL-UHFFFAOYSA-N -1 3 320.320 3.080 20 10 DGCDHM CN(CCNC(=O)OC(C)(C)C)Cc1cccc(Cl)c1[O-] ZINC000296658494 432923813 /nfs/dbraw/zinc/92/38/13/432923813.db2.gz XECJHHHLIDTOTN-UHFFFAOYSA-N -1 3 314.813 3.002 20 10 DGCDHM CC[C@@H](NCc1ncccc1N(C)C)c1ccc(F)cc1[O-] ZINC000289749763 432973423 /nfs/dbraw/zinc/97/34/23/432973423.db2.gz LAVSRYCRNVMLPD-CQSZACIVSA-N -1 3 303.381 3.233 20 10 DGCDHM COCc1nc(CN[C@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000289776655 432975562 /nfs/dbraw/zinc/97/55/62/432975562.db2.gz MKZMWNCULIXNCC-SECBINFHSA-N -1 3 312.822 3.499 20 10 DGCDHM CCOCc1nc([C@H](C)N[C@@H](CC)c2ccccc2[O-])no1 ZINC000290140793 432999371 /nfs/dbraw/zinc/99/93/71/432999371.db2.gz KQIUWMQZFADWPY-AAEUAGOBSA-N -1 3 305.378 3.114 20 10 DGCDHM Cn1ccnc1[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000373228797 433137382 /nfs/dbraw/zinc/13/73/82/433137382.db2.gz NDMJGQZWMGCKMN-LLVKDONJSA-N -1 3 323.799 3.298 20 10 DGCDHM CCCCN(Cc1ccccc1[O-])[C@@H](C)c1nnnn1C1CC1 ZINC000282356563 433577554 /nfs/dbraw/zinc/57/75/54/433577554.db2.gz CYCLRPZMVIXNGJ-ZDUSSCGKSA-N -1 3 315.421 3.077 20 10 DGCDHM CO[C@@H]1CCN(Cc2cc(Br)ccc2[O-])[C@@H](C)C1 ZINC000282371589 433585695 /nfs/dbraw/zinc/58/56/95/433585695.db2.gz QHTDCJBPYCYUML-GXFFZTMASA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1nc([C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)no1 ZINC000375838186 433587196 /nfs/dbraw/zinc/58/71/96/433587196.db2.gz FCQVOXFFZQLVQO-GFCCVEGCSA-N -1 3 307.781 3.117 20 10 DGCDHM Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000362333882 433652789 /nfs/dbraw/zinc/65/27/89/433652789.db2.gz FFBDZULLTLXYRG-OAHLLOKOSA-N -1 3 305.809 3.425 20 10 DGCDHM CCc1noc(C)c1CNCc1cc(Cl)cc(OC)c1[O-] ZINC000293540324 433775388 /nfs/dbraw/zinc/77/53/88/433775388.db2.gz CTKSWTOEJYJLQB-UHFFFAOYSA-N -1 3 310.781 3.203 20 10 DGCDHM CCCN(Cc1nc(-c2ccccn2)no1)Cc1ccccc1[O-] ZINC000363064276 433961450 /nfs/dbraw/zinc/96/14/50/433961450.db2.gz WZQBFEWLRRDERS-UHFFFAOYSA-N -1 3 324.384 3.249 20 10 DGCDHM CCn1cc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000294871929 434151502 /nfs/dbraw/zinc/15/15/02/434151502.db2.gz PFKZTPLDORVAFV-SECBINFHSA-N -1 3 324.768 3.021 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c([O-])c1O ZINC000378565403 434222957 /nfs/dbraw/zinc/22/29/57/434222957.db2.gz JNPOWFSPDIXBFA-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(c2ncc[nH]2)CC1 ZINC000295484378 434381121 /nfs/dbraw/zinc/38/11/21/434381121.db2.gz XHNYDJFLRFPGRV-UHFFFAOYSA-N -1 3 309.772 3.287 20 10 DGCDHM COc1ncc(CN[C@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000295843757 434438617 /nfs/dbraw/zinc/43/86/17/434438617.db2.gz ARSKDJZBQGHVHX-SECBINFHSA-N -1 3 310.756 3.439 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@](O)(C2CC2)C1 ZINC000369684255 434599290 /nfs/dbraw/zinc/59/92/90/434599290.db2.gz SWSIBGLLBMQOIO-AWEZNQCLSA-N -1 3 302.201 3.046 20 10 DGCDHM CCNC(=O)c1cccc(CN[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185177311 333205099 /nfs/dbraw/zinc/20/50/99/333205099.db2.gz WFRPNGCDGTWGES-GFCCVEGCSA-N -1 3 316.376 3.132 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000295698188 335137057 /nfs/dbraw/zinc/13/70/57/335137057.db2.gz DZEGINISUAFQTM-UHFFFAOYSA-N -1 3 303.383 3.379 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCCN(c2ccccn2)CC1 ZINC000184807576 337200224 /nfs/dbraw/zinc/20/02/24/337200224.db2.gz KHTCFBBVHNJXPU-UHFFFAOYSA-N -1 3 317.820 3.153 20 10 DGCDHM C[C@H](NCc1nnc2n1CCCC2)c1ccc2ccccc2c1[O-] ZINC000183845609 533949511 /nfs/dbraw/zinc/94/95/11/533949511.db2.gz FFFQKBUUTBGKCN-ZDUSSCGKSA-N -1 3 322.412 3.324 20 10 DGCDHM CC(C)=CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158079475 519398772 /nfs/dbraw/zinc/39/87/72/519398772.db2.gz BDSCAHXYDSHPPT-OAHLLOKOSA-N -1 3 322.836 3.092 20 10 DGCDHM CCCN(Cc1ccccc1[O-])Cc1nc(N)c2ccccc2n1 ZINC000157057271 521689771 /nfs/dbraw/zinc/68/97/71/521689771.db2.gz CRQAJIWFDVNSKE-UHFFFAOYSA-N -1 3 322.412 3.330 20 10 DGCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2c2ccco2)c1[O-] ZINC000368625330 522537486 /nfs/dbraw/zinc/53/74/86/522537486.db2.gz YQUATRXZNNEZNC-ZDUSSCGKSA-N -1 3 323.776 3.221 20 10 DGCDHM CO[C@@H](C)c1nc(CNCc2c([O-])cccc2Cl)cs1 ZINC000267630889 523473223 /nfs/dbraw/zinc/47/32/23/523473223.db2.gz NUWRAMFAWKBXEQ-VIFPVBQESA-N -1 3 312.822 3.499 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1CC ZINC000189432156 523830168 /nfs/dbraw/zinc/83/01/68/523830168.db2.gz ZKOSRKVBDQMSBM-UHFFFAOYSA-N -1 3 305.399 3.318 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)ccc1O ZINC000182475714 525286666 /nfs/dbraw/zinc/28/66/66/525286666.db2.gz CCLHKGZDYPROIU-UHFFFAOYSA-N -1 3 321.398 3.289 20 10 DGCDHM Cc1cnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000180582329 526009364 /nfs/dbraw/zinc/00/93/64/526009364.db2.gz WTJONCBINIDCOV-OAHLLOKOSA-N -1 3 318.442 3.338 20 10 DGCDHM COCc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273391218 536781882 /nfs/dbraw/zinc/78/18/82/536781882.db2.gz KUSGNUZWGPOYED-GFCCVEGCSA-N -1 3 316.357 3.298 20 10 DGCDHM CCn1cc([C@H](C)NCc2cc(Br)ccc2[O-])cn1 ZINC000294746559 546423837 /nfs/dbraw/zinc/42/38/37/546423837.db2.gz CSIQLPXVAMERSQ-JTQLQIEISA-N -1 3 324.222 3.222 20 10 DGCDHM CN(CCOc1ccc(Cl)cc1)C(=O)c1cc([O-])cs1 ZINC000731863873 574560287 /nfs/dbraw/zinc/56/02/87/574560287.db2.gz IFKIDZVDWDSBOA-UHFFFAOYSA-N -1 3 311.790 3.258 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])[C@H]1C=CCCC1 ZINC000731845052 574560353 /nfs/dbraw/zinc/56/03/53/574560353.db2.gz PSAXYCBCXSGCTE-AWEZNQCLSA-N -1 3 309.793 3.129 20 10 DGCDHM Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1C ZINC000731912640 574561940 /nfs/dbraw/zinc/56/19/40/574561940.db2.gz WDCKXFLHJTXZCH-NSHDSACASA-N -1 3 304.367 3.499 20 10 DGCDHM CC(C)[C@H](NC(=O)c1cc([O-])cs1)c1nc2ccccc2[nH]1 ZINC000732266392 574569276 /nfs/dbraw/zinc/56/92/76/574569276.db2.gz ATXIHAMSFQAHEN-AWEZNQCLSA-N -1 3 315.398 3.457 20 10 DGCDHM O=C(NCc1ncc(-c2ccccc2)o1)c1cc([O-])cs1 ZINC000732271763 574569860 /nfs/dbraw/zinc/56/98/60/574569860.db2.gz RLJVEPYWADBTTQ-UHFFFAOYSA-N -1 3 300.339 3.039 20 10 DGCDHM O=C(NCCc1ccccc1C(F)(F)F)c1cc([O-])cs1 ZINC000732276998 574570161 /nfs/dbraw/zinc/57/01/61/574570161.db2.gz ZZWFKFUDQLPITD-UHFFFAOYSA-N -1 3 315.316 3.445 20 10 DGCDHM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc([O-])cs1 ZINC000732276932 574570303 /nfs/dbraw/zinc/57/03/03/574570303.db2.gz WYWGROKRXWWGLC-HIFRSBDPSA-N -1 3 321.373 3.243 20 10 DGCDHM COc1ccc(C(C)(C)CNC(=O)c2cc([O-])cs2)cc1 ZINC000732279543 574570648 /nfs/dbraw/zinc/57/06/48/574570648.db2.gz UXOWTHFOAGFBAJ-UHFFFAOYSA-N -1 3 305.399 3.170 20 10 DGCDHM O=C(NCCCc1c[nH]c2ccccc12)c1cc([O-])cs1 ZINC000732290547 574571216 /nfs/dbraw/zinc/57/12/16/574571216.db2.gz YZKOXVVNPUVZRW-UHFFFAOYSA-N -1 3 300.383 3.298 20 10 DGCDHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1C ZINC000732354620 574572356 /nfs/dbraw/zinc/57/23/56/574572356.db2.gz ORLBZEJIIHJNEB-NSHDSACASA-N -1 3 319.382 3.255 20 10 DGCDHM CC(C)c1cccc(NC(=O)COC(=O)c2cc([O-])cs2)c1 ZINC000732354259 574572375 /nfs/dbraw/zinc/57/23/75/574572375.db2.gz IIHXHVPDQHTSOM-UHFFFAOYSA-N -1 3 319.382 3.373 20 10 DGCDHM CCCCOC(=O)CN(Cc1ccccc1[O-])C1CCCC1 ZINC000733613192 574632244 /nfs/dbraw/zinc/63/22/44/574632244.db2.gz CMJCQFXIWMWNSC-UHFFFAOYSA-N -1 3 305.418 3.480 20 10 DGCDHM CCOc1ccc(CN[C@@H](CC(C)C)C(=O)OC(C)C)c([O-])c1 ZINC000734004685 574646749 /nfs/dbraw/zinc/64/67/49/574646749.db2.gz BQSOBQOGXGDHJS-INIZCTEOSA-N -1 3 323.433 3.247 20 10 DGCDHM CC[C@@](NCc1ccc2c(c1)CCO2)(C(=O)[O-])c1ccccc1 ZINC000736919526 574810854 /nfs/dbraw/zinc/81/08/54/574810854.db2.gz AZMZRKPRCABYMS-IBGZPJMESA-N -1 3 311.381 3.101 20 10 DGCDHM C[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493656 574848249 /nfs/dbraw/zinc/84/82/49/574848249.db2.gz HEZQYDCNWSTRSR-OAHLLOKOSA-N -1 3 305.761 3.303 20 10 DGCDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493656 574848251 /nfs/dbraw/zinc/84/82/51/574848251.db2.gz HEZQYDCNWSTRSR-OAHLLOKOSA-N -1 3 305.761 3.303 20 10 DGCDHM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc([O-])cs1 ZINC000746893565 575482777 /nfs/dbraw/zinc/48/27/77/575482777.db2.gz CMEHRMHHLJHYCC-CHNSCGDPSA-N -1 3 323.439 3.024 20 10 DGCDHM CC(C)OC(=O)c1ccc(COC(=O)c2cc([O-])cs2)cc1 ZINC000747055572 575493446 /nfs/dbraw/zinc/49/34/46/575493446.db2.gz WANFPHMANDBMQQ-UHFFFAOYSA-N -1 3 320.366 3.376 20 10 DGCDHM CCO[C@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826904 575754012 /nfs/dbraw/zinc/75/40/12/575754012.db2.gz UBWXMYMEQWXKHN-CVEARBPZSA-N -1 3 323.408 3.369 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@@H](C(C)C)C2)c1[O-] ZINC000750826680 575754197 /nfs/dbraw/zinc/75/41/97/575754197.db2.gz ANTLXZIKMVXQRV-OAHLLOKOSA-N -1 3 311.422 3.307 20 10 DGCDHM C[S@](=O)c1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000751153652 575772572 /nfs/dbraw/zinc/77/25/72/575772572.db2.gz TXHMVJHEXPIZJI-FQEVSTJZSA-N -1 3 309.818 3.073 20 10 DGCDHM Cc1cc([O-])c(C[N@@H+]2CCSC[C@H]2CC(=O)[O-])cc1C(C)C ZINC000738464053 576150742 /nfs/dbraw/zinc/15/07/42/576150742.db2.gz YWWMJCIBEUWZBQ-CQSZACIVSA-N -1 3 323.458 3.216 20 10 DGCDHM Cc1cc([O-])c(C[N@H+]2CCSC[C@H]2CC(=O)[O-])cc1C(C)C ZINC000738464053 576150744 /nfs/dbraw/zinc/15/07/44/576150744.db2.gz YWWMJCIBEUWZBQ-CQSZACIVSA-N -1 3 323.458 3.216 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(C)CC2=CCSC2)c1[O-] ZINC000852747647 620645569 /nfs/dbraw/zinc/64/55/69/620645569.db2.gz RFOXLOIMGIGJJA-UHFFFAOYSA-N -1 3 311.834 3.353 20 10 DGCDHM CCc1nccn1[C@@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890761667 617657803 /nfs/dbraw/zinc/65/78/03/617657803.db2.gz VKIONCLNNDZOGZ-NSHDSACASA-N -1 3 321.808 3.072 20 10 DGCDHM CCOc1ccc(C[NH2+]C[C@H](CC(=O)[O-])CC(C)C)c([O-])c1 ZINC000854244082 620787783 /nfs/dbraw/zinc/78/77/83/620787783.db2.gz OXSKCKLZXHJQHT-ZDUSSCGKSA-N -1 3 309.406 3.018 20 10 DGCDHM Cc1ccnc(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC000894456237 618339823 /nfs/dbraw/zinc/33/98/23/618339823.db2.gz QDDXSTUNPIKHII-UHFFFAOYSA-N -1 3 319.355 3.148 20 10 DGCDHM CCn1cc(CN(Cc2cc(F)cc(F)c2[O-])C(C)C)cn1 ZINC000895139258 618550111 /nfs/dbraw/zinc/55/01/11/618550111.db2.gz ACLZSXIVLLBNER-UHFFFAOYSA-N -1 3 309.360 3.297 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 ZINC000840948963 618620987 /nfs/dbraw/zinc/62/09/87/618620987.db2.gz KEESNJOCOFMNKF-SJORKVTESA-N -1 3 307.821 3.497 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840958379 618635139 /nfs/dbraw/zinc/63/51/39/618635139.db2.gz QEHOVOQHHRAPAK-WFASDCNBSA-N -1 3 321.779 3.493 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC(CC2CCOCC2)C1 ZINC000895615825 618807424 /nfs/dbraw/zinc/80/74/24/618807424.db2.gz PHPSKRXCINVTMF-UHFFFAOYSA-N -1 3 313.800 3.433 20 10 DGCDHM CCOC(=O)[C@](C)(NCc1cc(F)ccc1[O-])c1ccccc1 ZINC000895894677 618847199 /nfs/dbraw/zinc/84/71/99/618847199.db2.gz NYNCTTKIOOGEAD-GOSISDBHSA-N -1 3 317.360 3.099 20 10 DGCDHM Cn1ccc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1 ZINC000896495594 618920649 /nfs/dbraw/zinc/92/06/49/618920649.db2.gz PNRRXPNQXYBXMK-UHFFFAOYSA-N -1 3 323.799 3.298 20 10 DGCDHM CN(C)c1c(CNCc2c([O-])cccc2F)ccc(F)c1F ZINC000896642358 618937898 /nfs/dbraw/zinc/93/78/98/618937898.db2.gz QCIPGHALTQKJCN-UHFFFAOYSA-N -1 3 310.319 3.165 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1cnc([C@@H]2CCCO2)s1 ZINC000896642496 618938017 /nfs/dbraw/zinc/93/80/17/618938017.db2.gz YDQMRXVTVLWASV-AWEZNQCLSA-N -1 3 308.378 3.129 20 10 DGCDHM CCn1cnc2c1CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC000897334108 619061786 /nfs/dbraw/zinc/06/17/86/619061786.db2.gz JNJSZRBHYYLWHW-UHFFFAOYSA-N -1 3 307.397 3.320 20 10 DGCDHM C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncs1 ZINC000897934107 619194461 /nfs/dbraw/zinc/19/44/61/619194461.db2.gz DTFOKJDKKHGKNU-ZETCQYMHSA-N -1 3 313.766 3.261 20 10 DGCDHM CC[C@@H](NCc1nc(CN(C)C)cs1)c1ccc(F)cc1[O-] ZINC000903221372 619741556 /nfs/dbraw/zinc/74/15/56/619741556.db2.gz WAGBJOFBUVSSAC-CQSZACIVSA-N -1 3 323.437 3.290 20 10 DGCDHM C[C@H](NCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903350694 619763112 /nfs/dbraw/zinc/76/31/12/619763112.db2.gz DSFQPPJRGSZDGS-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM Cn1cc([C@@H](NCc2cc(Cl)ccc2[O-])C(F)(F)F)cn1 ZINC000858164739 621160649 /nfs/dbraw/zinc/16/06/49/621160649.db2.gz WXKDFHZRWWDZDL-GFCCVEGCSA-N -1 3 319.714 3.172 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)C(F)(F)[C@@H](C)C2)c1[O-] ZINC000859411808 621275243 /nfs/dbraw/zinc/27/52/43/621275243.db2.gz NHERVUJFKZDDMG-UWVGGRQHSA-N -1 3 315.335 3.457 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC3CC2(C(F)(F)F)C3)c1[O-] ZINC000839200349 621351152 /nfs/dbraw/zinc/35/11/52/621351152.db2.gz URFLUUBZOCDMDZ-UHFFFAOYSA-N -1 3 317.282 3.261 20 10 DGCDHM CCN(Cc1nc(C)c[nH]1)Cc1cc(Br)ccc1[O-] ZINC000862250891 621567935 /nfs/dbraw/zinc/56/79/35/621567935.db2.gz RNWCQVWDBZEXNC-UHFFFAOYSA-N -1 3 324.222 3.208 20 10 DGCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000756334033 621628711 /nfs/dbraw/zinc/62/87/11/621628711.db2.gz WTZFROMEWZBNPD-MRXNPFEDSA-N -1 3 317.772 3.190 20 10 DGCDHM CC(C)c1nnc([C@H](C)N[C@H](C)c2cc(F)cc(F)c2[O-])[nH]1 ZINC000756777643 621663982 /nfs/dbraw/zinc/66/39/82/621663982.db2.gz KFFGFZZOLVJOFM-BDAKNGLRSA-N -1 3 310.348 3.324 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)cc2)c1 ZINC000756794810 621665295 /nfs/dbraw/zinc/66/52/95/621665295.db2.gz DFYGLJMCNJHVEH-NSHDSACASA-N -1 3 301.342 3.361 20 10 DGCDHM CCCCOc1ccc(C(=O)NCc2ccccc2O)c([O-])c1 ZINC000789816845 625569160 /nfs/dbraw/zinc/56/91/60/625569160.db2.gz PPXJJTKZPWDJGF-UHFFFAOYSA-N -1 3 315.369 3.207 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(Br)c2)c([O-])c1O ZINC000770466237 622636704 /nfs/dbraw/zinc/63/67/04/622636704.db2.gz PTYLXKGCVPDKCJ-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM COc1c([O-])c(CN2CCc3c2cccc3F)ccc1[N+](=O)[O-] ZINC000775070139 623226707 /nfs/dbraw/zinc/22/67/07/623226707.db2.gz WQYSPYKMTODQKA-UHFFFAOYSA-N -1 3 318.304 3.011 20 10 DGCDHM O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000776351191 623416121 /nfs/dbraw/zinc/41/61/21/623416121.db2.gz UXLHSLSCYJCCSA-GOEBONIOSA-N -1 3 311.381 3.239 20 10 DGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C ZINC000776748022 623459163 /nfs/dbraw/zinc/45/91/63/623459163.db2.gz RSQOGPCLWQJFEU-UHFFFAOYSA-N -1 3 321.398 3.209 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ccc1O ZINC000776748074 623459171 /nfs/dbraw/zinc/45/91/71/623459171.db2.gz VQBPAMIOMAUQMK-UHFFFAOYSA-N -1 3 317.410 3.380 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc(F)cc1 ZINC000790504577 625661967 /nfs/dbraw/zinc/66/19/67/625661967.db2.gz LRYXQJMRJZDZKX-CQSZACIVSA-N -1 3 301.317 3.214 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc(F)cc1 ZINC000790504575 625662478 /nfs/dbraw/zinc/66/24/78/625662478.db2.gz LRYXQJMRJZDZKX-AWEZNQCLSA-N -1 3 301.317 3.214 20 10 DGCDHM CC(C)Oc1ncccc1CNCc1ccc(F)c(F)c1[O-] ZINC000876873854 623733368 /nfs/dbraw/zinc/73/33/68/623733368.db2.gz SHXIFECDFCRHDS-UHFFFAOYSA-N -1 3 308.328 3.142 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C[C@H]1F ZINC000779148221 623735243 /nfs/dbraw/zinc/73/52/43/623735243.db2.gz GYBCNLOWEXVILV-JOYOIKCWSA-N -1 3 302.187 3.335 20 10 DGCDHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cccc(O)c1[O-] ZINC000790618798 625679030 /nfs/dbraw/zinc/67/90/30/625679030.db2.gz WHMPCVKGLYRFEA-UHFFFAOYSA-N -1 3 315.344 3.089 20 10 DGCDHM [O-]c1c(CN[C@H](CCO)c2ccccc2F)ccc(F)c1F ZINC000877606490 623960381 /nfs/dbraw/zinc/96/03/81/623960381.db2.gz CMLOYXLOQRZCQH-CQSZACIVSA-N -1 3 311.303 3.023 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@@H]3CCCN3c3ccccc32)c([O-])c1O ZINC000780937854 624000880 /nfs/dbraw/zinc/00/08/80/624000880.db2.gz GVFUICNCQPJNKW-ZDUSSCGKSA-N -1 3 324.380 3.035 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CC(C)(C)O3)c([O-])c1O ZINC000780970728 624005656 /nfs/dbraw/zinc/00/56/56/624005656.db2.gz XTACHHPYTIRMEW-UHFFFAOYSA-N -1 3 313.353 3.372 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCCOC[C@H]2C)c1 ZINC000781914739 624170424 /nfs/dbraw/zinc/17/04/24/624170424.db2.gz ZHWWCGRPKKCQFR-LLVKDONJSA-N -1 3 314.223 3.074 20 10 DGCDHM O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000790874330 625710815 /nfs/dbraw/zinc/71/08/15/625710815.db2.gz COXKDKFASWNREZ-NXEZZACHSA-N -1 3 317.307 3.196 20 10 DGCDHM CC(C)Oc1c(F)cc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC000790926239 625716322 /nfs/dbraw/zinc/71/63/22/625716322.db2.gz IQPSVOHXONEUPX-UHFFFAOYSA-N -1 3 323.295 3.416 20 10 DGCDHM COc1cnccc1[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000783743786 624390393 /nfs/dbraw/zinc/39/03/93/624390393.db2.gz JWYVLDVVWIOJCT-VIFPVBQESA-N -1 3 310.756 3.439 20 10 DGCDHM CCc1ccc(C(=O)NCCCSc2nccs2)c([O-])c1 ZINC000786972384 624969330 /nfs/dbraw/zinc/96/93/30/624969330.db2.gz BZBPBQWVDIIXOX-UHFFFAOYSA-N -1 3 322.455 3.323 20 10 DGCDHM COc1ccc2c(c1)[C@@H](NCc1cc(F)cc(F)c1[O-])CCO2 ZINC000883089958 625923673 /nfs/dbraw/zinc/92/36/73/625923673.db2.gz YHXZIKPGVNYPKU-HNNXBMFYSA-N -1 3 321.323 3.292 20 10 DGCDHM C[C@@H](O)[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157495 625947034 /nfs/dbraw/zinc/94/70/34/625947034.db2.gz AEBYVXNUVURICO-PSLIRLAXSA-N -1 3 311.303 3.021 20 10 DGCDHM COCCc1ccnc(N[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000797046606 626107877 /nfs/dbraw/zinc/10/78/77/626107877.db2.gz XSSHSZDGDPIBBF-JTQLQIEISA-N -1 3 308.328 3.427 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2c(F)ccc([O-])c2F)cc1 ZINC000798183043 626200369 /nfs/dbraw/zinc/20/03/69/626200369.db2.gz DZFLQAUEODOBQV-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM O=c1cc(C=Cc2ccc(N3CCOCC3)cc2)nc(C2CC2)[n-]1 ZINC000806563861 626721580 /nfs/dbraw/zinc/72/15/80/626721580.db2.gz BLAKWVQROICZKR-LZCJLJQNSA-N -1 3 323.396 3.067 20 10 DGCDHM COc1c([O-])c(CN2CCc3cccc(F)c32)ccc1[N+](=O)[O-] ZINC000809766982 626948938 /nfs/dbraw/zinc/94/89/38/626948938.db2.gz CWQUCYYHASAZMY-UHFFFAOYSA-N -1 3 318.304 3.011 20 10 DGCDHM CNC(=O)C[C@H](N[C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605042 627171832 /nfs/dbraw/zinc/17/18/32/627171832.db2.gz IMSYXFMRRGDFEJ-DOMZBBRYSA-N -1 3 316.376 3.059 20 10 DGCDHM C[C@H](NCc1cccnc1N1CCCC1)c1c([O-])cccc1F ZINC000886636717 627177832 /nfs/dbraw/zinc/17/78/32/627177832.db2.gz SXWXZQXPEYRIFG-ZDUSSCGKSA-N -1 3 315.392 3.377 20 10 DGCDHM Cc1cccnc1[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000889889150 627477566 /nfs/dbraw/zinc/47/75/66/627477566.db2.gz KOTAGGYRXGQMOL-INIZCTEOSA-N -1 3 314.385 3.318 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC2CCC2)c1[O-] ZINC000815293640 627653878 /nfs/dbraw/zinc/65/38/78/627653878.db2.gz KIKDCPXHJUIYHL-INIZCTEOSA-N -1 3 321.392 3.125 20 10 DGCDHM C[C@H](c1cc(F)cc(F)c1[O-])N1CCOc2ccc(N)cc2C1 ZINC000925753231 627788304 /nfs/dbraw/zinc/78/83/04/627788304.db2.gz FJDOQGAWAXHQCB-SNVBAGLBSA-N -1 3 320.339 3.208 20 10 DGCDHM CN(Cc1nnc2ccccn21)Cc1ccc2ccccc2c1[O-] ZINC000816499132 627797521 /nfs/dbraw/zinc/79/75/21/627797521.db2.gz GODFLLJGSXTPSA-UHFFFAOYSA-N -1 3 318.380 3.220 20 10 DGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H]1CCCc2c1cnn2C ZINC000816519809 627801676 /nfs/dbraw/zinc/80/16/76/627801676.db2.gz WTGWRKBUOFUQAY-AWEZNQCLSA-N -1 3 323.799 3.428 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000816551297 627806126 /nfs/dbraw/zinc/80/61/26/627806126.db2.gz WLJPMDKXNZIASC-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM CC(C)[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000816675153 627823115 /nfs/dbraw/zinc/82/31/15/627823115.db2.gz UEMVGNJHGBXSJE-AWEZNQCLSA-N -1 3 301.789 3.432 20 10 DGCDHM C[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412542 627896436 /nfs/dbraw/zinc/89/64/36/627896436.db2.gz MJWQCBXQVVECKO-VHSXEESVSA-N -1 3 304.217 3.149 20 10 DGCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnn1CCC(C)C ZINC000928704576 628178915 /nfs/dbraw/zinc/17/89/15/628178915.db2.gz COVFXKXLDORTLW-UHFFFAOYSA-N -1 3 319.380 3.012 20 10 DGCDHM CC1(C(=O)NCc2c([O-])cccc2F)CCC(F)(F)CC1 ZINC000928709658 628180058 /nfs/dbraw/zinc/18/00/58/628180058.db2.gz KJXYVNAGJGJFAN-UHFFFAOYSA-N -1 3 301.308 3.363 20 10 DGCDHM CCC[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccccn1 ZINC000928709227 628180236 /nfs/dbraw/zinc/18/02/36/628180236.db2.gz ZGRKDFUQEKUCKU-GFCCVEGCSA-N -1 3 302.349 3.126 20 10 DGCDHM Cc1ccccc1CO[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928708176 628180285 /nfs/dbraw/zinc/18/02/85/628180285.db2.gz AUZCAQXCQOJOSL-CYBMUJFWSA-N -1 3 317.360 3.061 20 10 DGCDHM COc1ccccc1[C@@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928712681 628180604 /nfs/dbraw/zinc/18/06/04/628180604.db2.gz VXQOPMLQJNSPFB-LBPRGKRZSA-N -1 3 317.360 3.350 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)OC3(CCCC3)C2)c1[O-] ZINC000830843579 629311140 /nfs/dbraw/zinc/31/11/40/629311140.db2.gz JSGVWMHEUYETNF-GFCCVEGCSA-N -1 3 321.392 3.267 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOCC23CCCCC3)c1[O-] ZINC000832175010 629447961 /nfs/dbraw/zinc/44/79/61/629447961.db2.gz GTBTWYDCZPJKTA-UHFFFAOYSA-N -1 3 321.392 3.269 20 10 DGCDHM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000833553399 629619956 /nfs/dbraw/zinc/61/99/56/629619956.db2.gz CVULVPZDFIZPSF-LJQANCHMSA-N -1 3 311.381 3.356 20 10 DGCDHM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000833553399 629619957 /nfs/dbraw/zinc/61/99/57/629619957.db2.gz CVULVPZDFIZPSF-LJQANCHMSA-N -1 3 311.381 3.356 20 10 DGCDHM Cc1cc([O-])c(CNCc2nccn2CC(C)C)c(Cl)c1 ZINC000840898441 630374545 /nfs/dbraw/zinc/37/45/45/630374545.db2.gz DXPUHZOFWBYFBA-UHFFFAOYSA-N -1 3 307.825 3.496 20 10 DGCDHM COCCN(Cc1ccccn1)Cc1c([O-])cc(C)cc1Cl ZINC000840946557 630381907 /nfs/dbraw/zinc/38/19/07/630381907.db2.gz RFFIFLLODGITSV-UHFFFAOYSA-N -1 3 320.820 3.398 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(c2ccncn2)CC1 ZINC000840953477 630384299 /nfs/dbraw/zinc/38/42/99/630384299.db2.gz RIKVEGGHAYRKIK-UHFFFAOYSA-N -1 3 321.783 3.354 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840959656 630386217 /nfs/dbraw/zinc/38/62/17/630386217.db2.gz ZFBSDZUIIRGGOB-XJKSGUPXSA-N -1 3 321.779 3.493 20 10 DGCDHM Cc1cc([O-])c(CNCc2nnc(C3CC3)s2)c(Cl)c1 ZINC000840973813 630389587 /nfs/dbraw/zinc/38/95/87/630389587.db2.gz VSXUCSGBQDMVHQ-UHFFFAOYSA-N -1 3 309.822 3.373 20 10 DGCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCc2ccc(F)cc21 ZINC000846618330 631274534 /nfs/dbraw/zinc/27/45/34/631274534.db2.gz WIPPESFIGSVDIY-NSHDSACASA-N -1 3 315.344 3.039 20 10 DGCDHM COc1ccnc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])c1F ZINC000850536776 632186334 /nfs/dbraw/zinc/18/63/34/632186334.db2.gz JVEXFALIWBJVEJ-QMMMGPOBSA-N -1 3 312.291 3.064 20 10 DGCDHM CC(C)[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000708999827 660923738 /nfs/dbraw/zinc/92/37/38/660923738.db2.gz HWLHVMYWXBENJM-AWEZNQCLSA-N -1 3 314.223 3.012 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(N(C)C)c2C)c([O-])c1O ZINC000182991556 656109801 /nfs/dbraw/zinc/10/98/01/656109801.db2.gz BHHANKBVYPSUMM-UHFFFAOYSA-N -1 3 300.358 3.033 20 10 DGCDHM C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000828861886 661233103 /nfs/dbraw/zinc/23/31/03/661233103.db2.gz RGPTYEVCQOGXGN-GFCCVEGCSA-N -1 3 316.376 3.017 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCN(c2ccccc2)CC1 ZINC000158022002 659132953 /nfs/dbraw/zinc/13/29/53/659132953.db2.gz OWAXJMGWXDCWCL-UHFFFAOYSA-N -1 3 302.805 3.368 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c([O-])c1O ZINC000181770556 660019846 /nfs/dbraw/zinc/01/98/46/660019846.db2.gz HPTCTFGPOXDFAI-UHFFFAOYSA-N -1 3 316.313 3.184 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c([O-])c1O ZINC000181856667 660022762 /nfs/dbraw/zinc/02/27/62/660022762.db2.gz KMIHILISWCYCJR-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)cnn1CC(C)C ZINC000930612697 661415648 /nfs/dbraw/zinc/41/56/48/661415648.db2.gz VWQWXEHSGMPHTJ-UHFFFAOYSA-N -1 3 320.368 3.014 20 10 DGCDHM CC(C)(C)[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000930905304 661438389 /nfs/dbraw/zinc/43/83/89/661438389.db2.gz RBGNTEKPYDEGDS-NSHDSACASA-N -1 3 322.302 3.308 20 10 DGCDHM CC(C)N(C)c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000188458460 661932078 /nfs/dbraw/zinc/93/20/78/661932078.db2.gz APWPQFLRSVPTDW-UHFFFAOYSA-N -1 3 300.358 3.195 20 10 DGCDHM CC(C)Oc1ccc([C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192975750 662118654 /nfs/dbraw/zinc/11/86/54/662118654.db2.gz AVPOMQKEUWYTOD-LBPRGKRZSA-N -1 3 315.369 3.376 20 10 DGCDHM CC(C)n1ncc2ccc(NC(=O)c3cccc(O)c3[O-])cc21 ZINC000192992974 662119821 /nfs/dbraw/zinc/11/98/21/662119821.db2.gz DGEKINKEBGHIOV-UHFFFAOYSA-N -1 3 311.341 3.281 20 10 DGCDHM COc1ccccc1CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000194805036 662173797 /nfs/dbraw/zinc/17/37/97/662173797.db2.gz HAJIQRMVNDKJJQ-UHFFFAOYSA-N -1 3 317.360 3.375 20 10 DGCDHM O=C1NCCN1c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000378895148 685146440 /nfs/dbraw/zinc/14/64/40/685146440.db2.gz UITMJJTZSDTNBR-UHFFFAOYSA-N -1 3 317.776 3.187 20 10 DGCDHM O=C(NCc1ccccc1C(F)(F)F)c1cccc(O)c1[O-] ZINC000388417476 685188829 /nfs/dbraw/zinc/18/88/29/685188829.db2.gz PRLAXSPUSWXUJQ-UHFFFAOYSA-N -1 3 311.259 3.047 20 10 DGCDHM COc1ccc(N(C)Cc2c(C)cc(-c3nnn[n-]3)cc2C)cc1 ZINC001591606413 1192567276 /nfs/dbraw/zinc/56/72/76/1192567276.db2.gz CWDMZYCILJZMJA-UHFFFAOYSA-N -1 3 323.400 3.129 20 10 DGCDHM COc1ccc(N(C)Cc2c(C)cc(-c3nn[n-]n3)cc2C)cc1 ZINC001591606413 1192567278 /nfs/dbraw/zinc/56/72/78/1192567278.db2.gz CWDMZYCILJZMJA-UHFFFAOYSA-N -1 3 323.400 3.129 20 10 DGCDHM CCN(CC)c1ccc(CNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001596578713 1192697569 /nfs/dbraw/zinc/69/75/69/1192697569.db2.gz MHXVVDQMGRSNFZ-UHFFFAOYSA-N -1 3 312.413 3.477 20 10 DGCDHM C/C(=C\C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001596913450 1192711161 /nfs/dbraw/zinc/71/11/61/1192711161.db2.gz YWFLCLSVIDDAPV-PKNBQFBNSA-N -1 3 303.308 3.390 20 10 DGCDHM O=C(NCCCc1ccsc1)NCc1c([O-])cccc1F ZINC001341742459 1179055515 /nfs/dbraw/zinc/05/55/15/1179055515.db2.gz GOVOKGYDAUMOHC-UHFFFAOYSA-N -1 3 308.378 3.025 20 10 DGCDHM O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC001602059526 1192957345 /nfs/dbraw/zinc/95/73/45/1192957345.db2.gz VIONVWBZBZCSKD-UHFFFAOYSA-N -1 3 305.761 3.132 20 10 DGCDHM O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccccc1[O-] ZINC001602059526 1192957348 /nfs/dbraw/zinc/95/73/48/1192957348.db2.gz VIONVWBZBZCSKD-UHFFFAOYSA-N -1 3 305.761 3.132 20 10 DGCDHM CC(C)(CC[N@H+](Cc1ccco1)Cc1ccccc1[O-])C(=O)[O-] ZINC001603598899 1193023078 /nfs/dbraw/zinc/02/30/78/1193023078.db2.gz XZSOEZUQPHJDTE-UHFFFAOYSA-N -1 3 317.385 3.488 20 10 DGCDHM CC(C)(CC[N@@H+](Cc1ccco1)Cc1ccccc1[O-])C(=O)[O-] ZINC001603598899 1193023081 /nfs/dbraw/zinc/02/30/81/1193023081.db2.gz XZSOEZUQPHJDTE-UHFFFAOYSA-N -1 3 317.385 3.488 20 10 DGCDHM C[C@@H]([NH2+]CC1(c2ccccc2)CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604337204 1193065963 /nfs/dbraw/zinc/06/59/63/1193065963.db2.gz LUNBTBUDUIRSNL-CYBMUJFWSA-N -1 3 311.381 3.473 20 10 DGCDHM CCC[N@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001605317796 1193143245 /nfs/dbraw/zinc/14/32/45/1193143245.db2.gz SEKGSDXGJGTJQG-UHFFFAOYSA-N -1 3 303.358 3.404 20 10 DGCDHM CCC[N@@H+](Cc1cc(C)c(C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001605317796 1193143247 /nfs/dbraw/zinc/14/32/47/1193143247.db2.gz SEKGSDXGJGTJQG-UHFFFAOYSA-N -1 3 303.358 3.404 20 10 DGCDHM CCN(CC)c1ccc(CNCc2cc(C(=O)[O-])oc2C)cc1 ZINC001605435901 1193151101 /nfs/dbraw/zinc/15/11/01/1193151101.db2.gz SQYAFRYWDPPSCB-UHFFFAOYSA-N -1 3 316.401 3.422 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCN(Cc2ccsc2)CC1 ZINC001462006024 1182893332 /nfs/dbraw/zinc/89/33/32/1182893332.db2.gz ACABXTQKXAPVIL-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM CC(C)NC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001462069701 1182904647 /nfs/dbraw/zinc/90/46/47/1182904647.db2.gz GUAFYEXEOTVFBG-UHFFFAOYSA-N -1 3 320.339 3.421 20 10 DGCDHM Cn1c(CNCc2c([O-])cccc2F)nc2ccc(Cl)cc21 ZINC001462586099 1182972931 /nfs/dbraw/zinc/97/29/31/1182972931.db2.gz CRFTZLZGEPMBPG-UHFFFAOYSA-N -1 3 319.767 3.361 20 10 DGCDHM COc1cc(C)c(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001607148599 1193215423 /nfs/dbraw/zinc/21/54/23/1193215423.db2.gz KFWSPWVDZCLHSD-CYBMUJFWSA-N -1 3 321.417 3.032 20 10 DGCDHM COc1cc(C)c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001607148599 1193215426 /nfs/dbraw/zinc/21/54/26/1193215426.db2.gz KFWSPWVDZCLHSD-CYBMUJFWSA-N -1 3 321.417 3.032 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)cc2ccoc21 ZINC001471975891 1183604480 /nfs/dbraw/zinc/60/44/80/1183604480.db2.gz LKVMCMCLWBXLRY-UHFFFAOYSA-N -1 3 303.264 3.347 20 10 DGCDHM Cc1cc(Cl)cc(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c1[O-] ZINC001607655730 1193245693 /nfs/dbraw/zinc/24/56/93/1193245693.db2.gz HGEQKDJIQHYDKH-CYBMUJFWSA-N -1 3 309.793 3.041 20 10 DGCDHM Cc1ccc(O[C@H]2CCN(Cc3cc(F)cc(F)c3[O-])C2)nc1 ZINC001474649696 1183955989 /nfs/dbraw/zinc/95/59/89/1183955989.db2.gz GBJIZBJXELKVPH-AWEZNQCLSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1ncccc1C(F)(F)F ZINC001474716342 1183967750 /nfs/dbraw/zinc/96/77/50/1183967750.db2.gz KCAYESMEQJWXSX-UHFFFAOYSA-N -1 3 300.255 3.235 20 10 DGCDHM Cc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c([O-])c1 ZINC001607783351 1193256807 /nfs/dbraw/zinc/25/68/07/1193256807.db2.gz ZNBGYIOXYNPPMV-MRXNPFEDSA-N -1 3 303.333 3.064 20 10 DGCDHM C[C@H]([NH2+]CCCOc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779769 1193355971 /nfs/dbraw/zinc/35/59/71/1193355971.db2.gz NRTNTQZMMDOVND-ZDUSSCGKSA-N -1 3 315.369 3.210 20 10 DGCDHM C[C@@H](C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001609742432 1193353396 /nfs/dbraw/zinc/35/33/96/1193353396.db2.gz RBCPKPSEWVLPBP-ZDUSSCGKSA-N -1 3 317.360 3.254 20 10 DGCDHM C[C@@H](C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-])C(=O)[O-] ZINC001609742432 1193353399 /nfs/dbraw/zinc/35/33/99/1193353399.db2.gz RBCPKPSEWVLPBP-ZDUSSCGKSA-N -1 3 317.360 3.254 20 10 DGCDHM Cc1cc(C)cc([C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])c1 ZINC001610456234 1193390464 /nfs/dbraw/zinc/39/04/64/1193390464.db2.gz SMPNFHOCNIQPAF-INIZCTEOSA-N -1 3 303.333 3.064 20 10 DGCDHM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC001610736677 1193406069 /nfs/dbraw/zinc/40/60/69/1193406069.db2.gz YOCJOGPZRURKAE-CVEARBPZSA-N -1 3 303.402 3.248 20 10 DGCDHM O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC001610736677 1193406072 /nfs/dbraw/zinc/40/60/72/1193406072.db2.gz YOCJOGPZRURKAE-CVEARBPZSA-N -1 3 303.402 3.248 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccc(Cl)cc2)C1 ZINC001621072865 1193799107 /nfs/dbraw/zinc/79/91/07/1193799107.db2.gz DYJHTNAHLLNPRH-UHFFFAOYSA-N -1 3 317.772 3.066 20 10 DGCDHM COC(=O)c1sccc1CNCc1cccc(Cl)c1[O-] ZINC001621560388 1193858745 /nfs/dbraw/zinc/85/87/45/1193858745.db2.gz MKUHGUJGOCABSG-UHFFFAOYSA-N -1 3 311.790 3.184 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1snc2ccccc21 ZINC001624803631 1194015306 /nfs/dbraw/zinc/01/53/06/1194015306.db2.gz LINQPZYZBUBLAB-UHFFFAOYSA-N -1 3 317.345 3.463 20 10 DGCDHM CC(C)n1c(NC(=O)c2cccc(O)c2[O-])nc2ccccc21 ZINC001629548259 1194240845 /nfs/dbraw/zinc/24/08/45/1194240845.db2.gz KKDHMFZCIOBMRW-UHFFFAOYSA-N -1 3 311.341 3.281 20 10 DGCDHM CC[C@@H]1CCCC[C@H]1OCC(=O)NCc1c([O-])cccc1F ZINC001635361153 1194546940 /nfs/dbraw/zinc/54/69/40/1194546940.db2.gz YDANCAUJDKDJGP-MLGOLLRUSA-N -1 3 309.381 3.133 20 10 DGCDHM CC(C)Oc1ccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001642710491 1194931787 /nfs/dbraw/zinc/93/17/87/1194931787.db2.gz OCIBVFLZOHMKIX-UHFFFAOYSA-N -1 3 313.401 3.483 20 10 DGCDHM O=C(CCc1ccc2ccccc2n1)NCc1c([O-])cccc1F ZINC001646028354 1195211165 /nfs/dbraw/zinc/21/11/65/1195211165.db2.gz GNYLPBHUEXLMKK-UHFFFAOYSA-N -1 3 324.355 3.329 20 10 DGCDHM Cc1ccc2c(c1)S[C@@H](C(=O)NCc1c([O-])cccc1F)C2 ZINC001646033527 1195211465 /nfs/dbraw/zinc/21/14/65/1195211465.db2.gz AJPONKSCOWVOJD-MRXNPFEDSA-N -1 3 317.385 3.173 20 10 DGCDHM CCSc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001651007073 1195403331 /nfs/dbraw/zinc/40/33/31/1195403331.db2.gz UUONTDRVBQCPPS-UHFFFAOYSA-N -1 3 303.383 3.140 20 10 DGCDHM Cc1cc(Cl)ccc1OCC(=O)NCc1c([O-])cccc1F ZINC001652295770 1195577489 /nfs/dbraw/zinc/57/74/89/1195577489.db2.gz RTJXBZJMPWHLLN-UHFFFAOYSA-N -1 3 323.751 3.188 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(Nc2ccccn2)CC1 ZINC001653118018 1195689980 /nfs/dbraw/zinc/68/99/80/1195689980.db2.gz YAMVJOVGJYXTRT-UHFFFAOYSA-N -1 3 319.355 3.142 20 10 DGCDHM Cc1cc([O-])c(CN2CC(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC001653252494 1195704000 /nfs/dbraw/zinc/70/40/00/1195704000.db2.gz FAZHOIBIISTWDH-UHFFFAOYSA-N -1 3 311.809 3.128 20 10 DGCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1F ZINC001655950896 1195982106 /nfs/dbraw/zinc/98/21/06/1195982106.db2.gz VTCMQXUKMOEBID-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CNc1cnn(-c2ccncc2)c1 ZINC001657080241 1196102325 /nfs/dbraw/zinc/10/23/25/1196102325.db2.gz NBFYSOWZPPWKRD-UHFFFAOYSA-N -1 3 318.739 3.378 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1cc(F)cnc1Cl ZINC001657456748 1196144164 /nfs/dbraw/zinc/14/41/64/1196144164.db2.gz ZTQVOUDZQGSUPB-UHFFFAOYSA-N -1 3 302.683 3.148 20 10 DGCDHM O=C1CCN(Cc2cc(F)c(F)cc2[O-])c2ccc(F)cc2N1 ZINC001658245286 1196230002 /nfs/dbraw/zinc/23/00/02/1196230002.db2.gz ZFBKHVANKCWXAX-UHFFFAOYSA-N -1 3 322.286 3.158 20 10 DGCDHM COC(=O)c1ccc(CN(C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001658352323 1196246111 /nfs/dbraw/zinc/24/61/11/1196246111.db2.gz MXWUPUIJXXGJNM-UHFFFAOYSA-N -1 3 321.323 3.089 20 10 DGCDHM C[C@@H]1COc2ccccc2CN1Cc1cc(F)c(F)cc1[O-] ZINC001658831238 1196306600 /nfs/dbraw/zinc/30/66/00/1196306600.db2.gz VORIGRGHVXZXKA-LLVKDONJSA-N -1 3 305.324 3.454 20 10 DGCDHM CC(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)ccc1F ZINC001661625984 1196625459 /nfs/dbraw/zinc/62/54/59/1196625459.db2.gz CZQAGYNEEARMKM-UHFFFAOYSA-N -1 3 320.295 3.195 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1ccccc1-n1nccn1 ZINC001665683133 1197170562 /nfs/dbraw/zinc/17/05/62/1197170562.db2.gz PXEJYVNLIXIAMK-UHFFFAOYSA-N -1 3 300.749 3.238 20 10 DGCDHM COc1nc2ccccc2cc1CNCc1c([O-])cccc1F ZINC001665712920 1197179541 /nfs/dbraw/zinc/17/95/41/1197179541.db2.gz VGYKVJVIQQUJNC-UHFFFAOYSA-N -1 3 312.344 3.378 20 10 DGCDHM CCOc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001673658688 1197685965 /nfs/dbraw/zinc/68/59/65/1197685965.db2.gz XNGCQBNXIDLPAS-UHFFFAOYSA-N -1 3 322.311 3.391 20 10 DGCDHM Cc1cccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)c1 ZINC001680709759 1198910412 /nfs/dbraw/zinc/91/04/12/1198910412.db2.gz RXIWCSGDJNYXHW-LBPRGKRZSA-N -1 3 302.349 3.400 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NCC1(C2CCC2)CCC1 ZINC001683139977 1199240352 /nfs/dbraw/zinc/24/03/52/1199240352.db2.gz ZQMYXHKYFMFPNN-UHFFFAOYSA-N -1 3 306.381 3.301 20 10 DGCDHM C[C@@H]([NH2+][C@@H](C)COc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001592782808 979419949 /nfs/dbraw/zinc/41/99/49/979419949.db2.gz MBPSHKDUXAPRPV-QWHCGFSZSA-N -1 3 315.369 3.209 20 10 DGCDHM C[C@H]([NH2+][C@@H]1C[C@@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218483 994286568 /nfs/dbraw/zinc/28/65/68/994286568.db2.gz GKFHVWOFOPTABV-YLQAJVPDSA-N -1 3 311.381 3.372 20 10 DGCDHM C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265844 994575835 /nfs/dbraw/zinc/57/58/35/994575835.db2.gz YIVYMZUOOYFPOY-GXTWGEPZSA-N -1 3 319.401 3.233 20 10 DGCDHM C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276196 994631207 /nfs/dbraw/zinc/63/12/07/994631207.db2.gz XYSVYPMSCQVHTP-GFCCVEGCSA-N -1 3 324.380 3.465 20 10 DGCDHM COCc1csc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599299665 997208338 /nfs/dbraw/zinc/20/83/38/997208338.db2.gz CCBIHRGSXGKUKA-SNVBAGLBSA-N -1 3 321.398 3.149 20 10 DGCDHM CCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@H]1C ZINC001236801151 1099797412 /nfs/dbraw/zinc/79/74/12/1099797412.db2.gz AXOXQAVBZHPMOF-SNVBAGLBSA-N -1 3 303.233 3.225 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@@]1(C)O ZINC001237078101 1099958883 /nfs/dbraw/zinc/95/88/83/1099958883.db2.gz NSPZCTIWJMDGPA-YMTOWFKASA-N -1 3 304.217 3.292 20 10 DGCDHM Cc1ccnn1C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139688031 1084207579 /nfs/dbraw/zinc/20/75/79/1084207579.db2.gz WRONPEAZVZLMQF-UHFFFAOYSA-N -1 3 307.344 3.012 20 10 DGCDHM C[C@]1(F)CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC001203636614 1084633314 /nfs/dbraw/zinc/63/33/14/1084633314.db2.gz YFYPSVCFFSSSLG-STQMWFEESA-N -1 3 320.177 3.427 20 10 DGCDHM O=C(NCc1c(Cl)cccc1Cl)c1cccc(O)c1[O-] ZINC000696970835 1086735216 /nfs/dbraw/zinc/73/52/16/1086735216.db2.gz XGMBUKSOSZJKQA-UHFFFAOYSA-N -1 3 312.152 3.335 20 10 DGCDHM COc1cc(CN(C)Cc2cc(F)c(F)cc2[O-])cc(OC)c1 ZINC001142520443 1087276324 /nfs/dbraw/zinc/27/63/24/1087276324.db2.gz JQHUBOMPZCDUAZ-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCCC12CC2 ZINC001235056466 1088169935 /nfs/dbraw/zinc/16/99/35/1088169935.db2.gz ABWFTWCHLULEKB-UHFFFAOYSA-N -1 3 300.171 3.422 20 10 DGCDHM Cc1ccc2occ(CC(=O)NCc3c([O-])cccc3F)c2c1 ZINC001156170553 1089416204 /nfs/dbraw/zinc/41/62/04/1089416204.db2.gz POIWXLMYWRLESD-UHFFFAOYSA-N -1 3 313.328 3.445 20 10 DGCDHM COCCC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237813044 1090326803 /nfs/dbraw/zinc/32/68/03/1090326803.db2.gz KCYMIHDQVGGUOH-UHFFFAOYSA-N -1 3 301.789 3.433 20 10 DGCDHM CNc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168527010 1090336533 /nfs/dbraw/zinc/33/65/33/1090336533.db2.gz BHAOMZWZGGCGMN-UHFFFAOYSA-N -1 3 315.764 3.038 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@]1(C)O ZINC001203574225 1090759675 /nfs/dbraw/zinc/75/96/75/1090759675.db2.gz QHMWEPMDDUFVDC-OTYXRUKQSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC(CF)CC1 ZINC000715804160 1091009707 /nfs/dbraw/zinc/00/97/07/1091009707.db2.gz MWIGEXZEHPRARG-UHFFFAOYSA-N -1 3 320.177 3.475 20 10 DGCDHM Cc1nc(C(=O)[N-]c2c3nonc3ccc2Cl)c(C)s1 ZINC001128603424 1091071590 /nfs/dbraw/zinc/07/15/90/1091071590.db2.gz IIUKWESBDVRKFL-UHFFFAOYSA-N -1 3 308.750 3.202 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@H]1CCOc2ccc(F)cc21 ZINC001205414737 1091215501 /nfs/dbraw/zinc/21/55/01/1091215501.db2.gz PEMGKCBDNQXFPN-AWEZNQCLSA-N -1 3 309.287 3.423 20 10 DGCDHM Cc1cccc(C)c1N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137841541 1091225365 /nfs/dbraw/zinc/22/53/65/1091225365.db2.gz JBCQQSZLCHQTOY-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139687321 1091642897 /nfs/dbraw/zinc/64/28/97/1091642897.db2.gz LNSHGJIBWPCYFV-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM Cc1ccc(C(=O)N(C)c2cccc3cccnc32)c([O-])c1O ZINC001296859606 1091802382 /nfs/dbraw/zinc/80/23/82/1091802382.db2.gz YCGKELNXHMQFIF-UHFFFAOYSA-N -1 3 308.337 3.231 20 10 DGCDHM Cc1cc([O-])c(CN2CCn3nc(C4CC4)cc3C2)cc1Cl ZINC001207711823 1092078227 /nfs/dbraw/zinc/07/82/27/1092078227.db2.gz OJHWCLFBADMWET-UHFFFAOYSA-N -1 3 317.820 3.444 20 10 DGCDHM Cc1ccnn1C1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142531450 1092496803 /nfs/dbraw/zinc/49/68/03/1092496803.db2.gz XTQQBSZQOILAHJ-UHFFFAOYSA-N -1 3 307.344 3.012 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCOC[C@H]1C1CCCCC1 ZINC001142531446 1092497141 /nfs/dbraw/zinc/49/71/41/1092497141.db2.gz XRWDAUHXILWCGB-INIZCTEOSA-N -1 3 311.372 3.452 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001215145955 1093927172 /nfs/dbraw/zinc/92/71/72/1093927172.db2.gz UCQAZFKURFDDBR-UHFFFAOYSA-N -1 3 323.230 3.229 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC001215325335 1093960562 /nfs/dbraw/zinc/96/05/62/1093960562.db2.gz MVDREOMUEJWTPW-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cn1ccc2cc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)ccc21 ZINC001215325443 1093961027 /nfs/dbraw/zinc/96/10/27/1093961027.db2.gz SYVNAQXHMDZWFE-UHFFFAOYSA-N -1 3 323.308 3.012 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(F)c3Cl)no2)cc1O ZINC001215327622 1093961552 /nfs/dbraw/zinc/96/15/52/1093961552.db2.gz KXXIASGMYPZNEX-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cc1ccnc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1 ZINC001216951911 1094283455 /nfs/dbraw/zinc/28/34/55/1094283455.db2.gz PDVOKZBYPCMOSI-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM CCNC(=O)c1cccc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000316279428 1095167017 /nfs/dbraw/zinc/16/70/17/1095167017.db2.gz SEWJMVQGOFFPJT-LLVKDONJSA-N -1 3 302.349 3.454 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cccc(C)n2)c1[O-] ZINC000316474463 1095174339 /nfs/dbraw/zinc/17/43/39/1095174339.db2.gz VXDGFWWWDPBFNJ-UHFFFAOYSA-N -1 3 302.349 3.069 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](OCc2ccccc2)C1 ZINC001139684266 1095350609 /nfs/dbraw/zinc/35/06/09/1095350609.db2.gz SJROZQGYOPLWCS-AWEZNQCLSA-N -1 3 319.351 3.462 20 10 DGCDHM C[C@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(F)cc1[O-] ZINC001116589423 1095608357 /nfs/dbraw/zinc/60/83/57/1095608357.db2.gz WMBUTUINXSJBGK-NSHDSACASA-N -1 3 302.349 3.122 20 10 DGCDHM CC(C)OCCN(CCOC(C)C)Cc1c([O-])cccc1F ZINC001137837319 1095756151 /nfs/dbraw/zinc/75/61/51/1095756151.db2.gz BBDHLMPYXKVECD-UHFFFAOYSA-N -1 3 313.413 3.183 20 10 DGCDHM Cc1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)c(C)c1 ZINC001138128318 1095900724 /nfs/dbraw/zinc/90/07/24/1095900724.db2.gz CMBVMHYVWNVCMA-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM Cc1cc([C@H](C)NC(=O)NCc2c([O-])cccc2F)c(C)o1 ZINC001341416585 1096172038 /nfs/dbraw/zinc/17/20/38/1096172038.db2.gz YVAIIRFCMSEFEO-JTQLQIEISA-N -1 3 306.337 3.302 20 10 DGCDHM O=C(N[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001148224453 1096329433 /nfs/dbraw/zinc/32/94/33/1096329433.db2.gz MDEKODIBGCUTOK-MJSCVDMRSA-N -1 3 323.392 3.410 20 10 DGCDHM N=C(NC(=O)c1cccc(O)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001148220143 1096329733 /nfs/dbraw/zinc/32/97/33/1096329733.db2.gz SPBNEVVYWCGICL-UHFFFAOYSA-N -1 3 314.385 3.021 20 10 DGCDHM O=C1c2cccc([O-])c2C(=O)c2c(OC3CC=CC3)cccc21 ZINC001226380163 1096675590 /nfs/dbraw/zinc/67/55/90/1096675590.db2.gz OJHWKUPWKQZDSJ-UHFFFAOYSA-N -1 3 306.317 3.265 20 10 DGCDHM CC[C@H](COC)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938155 1097017237 /nfs/dbraw/zinc/01/72/37/1097017237.db2.gz RKZAHEIJHHJXKN-CYBMUJFWSA-N -1 3 316.353 3.133 20 10 DGCDHM CCN(CC(=O)OC)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248884834 1097110148 /nfs/dbraw/zinc/11/01/48/1097110148.db2.gz DKVPVCPGDHZONZ-UHFFFAOYSA-N -1 3 313.825 3.338 20 10 DGCDHM O=C1c2cccc(OC3CC=CC3)c2C(=O)c2cccc([O-])c21 ZINC001229186091 1097273862 /nfs/dbraw/zinc/27/38/62/1097273862.db2.gz GJKWECZBYXPRDE-UHFFFAOYSA-N -1 3 306.317 3.265 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001231452708 1097751978 /nfs/dbraw/zinc/75/19/78/1097751978.db2.gz SFYSGEFDEUYBRZ-HNNXBMFYSA-N -1 3 311.381 3.155 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c([O-])c1 ZINC001231452708 1097751979 /nfs/dbraw/zinc/75/19/79/1097751979.db2.gz SFYSGEFDEUYBRZ-HNNXBMFYSA-N -1 3 311.381 3.155 20 10 DGCDHM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])Cc1cccc2cccnc21 ZINC001231452988 1097753620 /nfs/dbraw/zinc/75/36/20/1097753620.db2.gz YXKIUETUAXDOLK-UHFFFAOYSA-N -1 3 322.364 3.271 20 10 DGCDHM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])Cc1cccc2cccnc21 ZINC001231452988 1097753626 /nfs/dbraw/zinc/75/36/26/1097753626.db2.gz YXKIUETUAXDOLK-UHFFFAOYSA-N -1 3 322.364 3.271 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001231563533 1097780088 /nfs/dbraw/zinc/78/00/88/1097780088.db2.gz CCSXHTJJLQXEIG-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001231563533 1097780092 /nfs/dbraw/zinc/78/00/92/1097780092.db2.gz CCSXHTJJLQXEIG-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001231566302 1097780313 /nfs/dbraw/zinc/78/03/13/1097780313.db2.gz XCTMLBNHWDBCPL-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001231566302 1097780318 /nfs/dbraw/zinc/78/03/18/1097780318.db2.gz XCTMLBNHWDBCPL-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM CCN(Cc1cc(C(=O)[O-])ccc1O)Cc1ccccc1F ZINC001231566066 1097780856 /nfs/dbraw/zinc/78/08/56/1097780856.db2.gz PATRAEWFHGEUOT-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2c2cccnc2)cc1Cl ZINC001231870150 1097869563 /nfs/dbraw/zinc/86/95/63/1097869563.db2.gz LTLOLQZAQPAXLY-MRXNPFEDSA-N -1 3 318.804 3.323 20 10 DGCDHM [O-]c1cc(O)c(CN2CC(Oc3ccccc3)C2)cc1Cl ZINC001232267751 1097987810 /nfs/dbraw/zinc/98/78/10/1097987810.db2.gz LDCOTEAHKBYTEO-UHFFFAOYSA-N -1 3 305.761 3.014 20 10 DGCDHM COc1ccc2c(c1)CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232268247 1097988280 /nfs/dbraw/zinc/98/82/80/1097988280.db2.gz NKPAYHZGYJKBGJ-UHFFFAOYSA-N -1 3 305.761 3.276 20 10 DGCDHM Cc1cccnc1O[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079425 1098220430 /nfs/dbraw/zinc/22/04/30/1098220430.db2.gz BNFGAEKRLULIIB-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1cccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)c1 ZINC001233331693 1098292819 /nfs/dbraw/zinc/29/28/19/1098292819.db2.gz HCLCCIBVXFDTPY-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM Cc1nc2c(o1)CCN(Cc1ccc(C(F)(F)F)cc1[O-])C2 ZINC001233455305 1098340633 /nfs/dbraw/zinc/34/06/33/1098340633.db2.gz FIUAGZGUGSYBOH-UHFFFAOYSA-N -1 3 312.291 3.266 20 10 DGCDHM Cc1cc(CN(C)Cc2ccc(C(F)(F)F)cc2[O-])n(C)n1 ZINC001233454290 1098340762 /nfs/dbraw/zinc/34/07/62/1098340762.db2.gz OQYZUBHJKIEIII-UHFFFAOYSA-N -1 3 313.323 3.085 20 10 DGCDHM CCOC(=O)CN(Cc1c([O-])cc(C)cc1Cl)CC(C)C ZINC001179868251 1099232077 /nfs/dbraw/zinc/23/20/77/1099232077.db2.gz ADVSEGAMAGXVBS-UHFFFAOYSA-N -1 3 313.825 3.375 20 10 DGCDHM Nc1ccc2c(c1)CCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001236105756 1099393768 /nfs/dbraw/zinc/39/37/68/1099393768.db2.gz MXPIOYZDWWSLHG-UHFFFAOYSA-N -1 3 306.768 3.325 20 10 DGCDHM CCN(Cc1cccnc1)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236811139 1099799181 /nfs/dbraw/zinc/79/91/81/1099799181.db2.gz HIMGMAOSPDMSPI-UHFFFAOYSA-N -1 3 306.793 3.471 20 10 DGCDHM COC(=O)C1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237079582 1099957695 /nfs/dbraw/zinc/95/76/95/1099957695.db2.gz MNLPNGPSGRDHLO-UHFFFAOYSA-N -1 3 318.200 3.084 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@]12CCOC2 ZINC001237085269 1099963995 /nfs/dbraw/zinc/96/39/95/1099963995.db2.gz WZCGOWYURFZBLB-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CCc2cc(CO)ccc2C1 ZINC001237122489 1099982929 /nfs/dbraw/zinc/98/29/29/1099982929.db2.gz VBNHMHOBVBXXEW-UHFFFAOYSA-N -1 3 321.779 3.235 20 10 DGCDHM Cc1cc([O-])c(CN2CCC[C@H](F)C2)cc1Br ZINC001237679260 1100213052 /nfs/dbraw/zinc/21/30/52/1100213052.db2.gz ONJVFRVYWXCZCJ-NSHDSACASA-N -1 3 302.187 3.397 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN(CCO)Cc1cccs1 ZINC001237938222 1100298323 /nfs/dbraw/zinc/29/83/23/1100298323.db2.gz ZGIAJRMJTPYZDH-UHFFFAOYSA-N -1 3 315.797 3.241 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cccc2cccnc21 ZINC001196882395 1101414928 /nfs/dbraw/zinc/41/49/28/1101414928.db2.gz IIRYVJGLURWLSV-UHFFFAOYSA-N -1 3 311.316 3.401 20 10 DGCDHM Cc1ccc(NC(=S)NCc2ncccc2[O-])cc1Cl ZINC001245855060 1104268823 /nfs/dbraw/zinc/26/88/23/1104268823.db2.gz IZVGZLMJOGXHOZ-UHFFFAOYSA-N -1 3 307.806 3.236 20 10 DGCDHM CC1(C)CCc2nc(NC(=O)c3cccc(O)c3[O-])sc2C1 ZINC001299496973 1104717623 /nfs/dbraw/zinc/71/76/23/1104717623.db2.gz SWEFTWDLLUGPEG-UHFFFAOYSA-N -1 3 318.398 3.322 20 10 DGCDHM COC(=O)[C@@H](C)N(C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248883970 1105186726 /nfs/dbraw/zinc/18/67/26/1105186726.db2.gz UVPUTRXTERXXDM-SNVBAGLBSA-N -1 3 313.825 3.336 20 10 DGCDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(F)c2)c(C)c1 ZINC001251489834 1105663503 /nfs/dbraw/zinc/66/35/03/1105663503.db2.gz RUECGRNLXVQYGG-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC001252715276 1105819425 /nfs/dbraw/zinc/81/94/25/1105819425.db2.gz IPSBJRIVVIMLLX-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM Cc1cc(Cl)ccc1-c1nnc(-c2ccc(O)c(O)c2[O-])o1 ZINC001255272974 1106213465 /nfs/dbraw/zinc/21/34/65/1106213465.db2.gz JMJRUJDPXDYPLP-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)cc1Cl ZINC001256126138 1106372943 /nfs/dbraw/zinc/37/29/43/1106372943.db2.gz SOVDRYSBMDJRKS-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM COc1cc(F)cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC001322148885 1107543972 /nfs/dbraw/zinc/54/39/72/1107543972.db2.gz INXONYVIYNXQGE-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])CCN1CC(F)(F)F ZINC001308607837 1111450394 /nfs/dbraw/zinc/45/03/94/1111450394.db2.gz PMDWXHKDLZOBCA-SNVBAGLBSA-N -1 3 322.758 3.114 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC001308791759 1111475881 /nfs/dbraw/zinc/47/58/81/1111475881.db2.gz HDONVROJVITEHY-HOTGVXAUSA-N -1 3 309.356 3.204 20 10 DGCDHM Cc1cnc(Cl)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001310558900 1111564177 /nfs/dbraw/zinc/56/41/77/1111564177.db2.gz HEBVARHYRGJQHF-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM CN(C)c1cc(F)cc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001310966500 1111576867 /nfs/dbraw/zinc/57/68/67/1111576867.db2.gz BADPRWVMXAUKRV-UHFFFAOYSA-N -1 3 321.327 3.058 20 10 DGCDHM CCCN(Cc1ncn(-c2ccccc2)n1)Cc1ccccc1[O-] ZINC000092798416 185341993 /nfs/dbraw/zinc/34/19/93/185341993.db2.gz NOSOCHMJVAACSF-UHFFFAOYSA-N -1 3 322.412 3.385 20 10 DGCDHM CCCN(Cc1ccoc1C(=O)OC)Cc1ccccc1[O-] ZINC000170779287 432080494 /nfs/dbraw/zinc/08/04/94/432080494.db2.gz BVWXYQGGLRONTH-UHFFFAOYSA-N -1 3 303.358 3.184 20 10 DGCDHM C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278387450 296152388 /nfs/dbraw/zinc/15/23/88/296152388.db2.gz DKYPTLCKWUYJIG-SFYZADRCSA-N -1 3 315.204 3.239 20 10 DGCDHM Cc1cccc([C@@H]2CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)c1 ZINC000273118827 130090247 /nfs/dbraw/zinc/09/02/47/130090247.db2.gz CEVWJYNFQJCJAW-OAHLLOKOSA-N -1 3 311.381 3.344 20 10 DGCDHM C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432602 130120272 /nfs/dbraw/zinc/12/02/72/130120272.db2.gz WCXGFSSMJLHHQC-XNCJUZBTSA-N -1 3 318.122 3.273 20 10 DGCDHM C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1cc(F)ccc1[O-] ZINC000273447761 130124297 /nfs/dbraw/zinc/12/42/97/130124297.db2.gz FKQFEWSWFPLVEN-LLVKDONJSA-N -1 3 323.389 3.249 20 10 DGCDHM C[C@H](NCc1ccnc(OC(F)F)c1)c1ccc(F)cc1[O-] ZINC000284370285 131074743 /nfs/dbraw/zinc/07/47/43/131074743.db2.gz NQGGKQLIFDYTRM-VIFPVBQESA-N -1 3 312.291 3.379 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289236916 131367684 /nfs/dbraw/zinc/36/76/84/131367684.db2.gz DLWJZXKUAABADK-KOLCDFICSA-N -1 3 323.742 3.038 20 10 DGCDHM COc1cc(Cl)cc(CN2CCn3cccc3[C@H]2C)c1[O-] ZINC000184672831 286223168 /nfs/dbraw/zinc/22/31/68/286223168.db2.gz BZVGJHVQUHMKPX-LLVKDONJSA-N -1 3 306.793 3.433 20 10 DGCDHM Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)c1ccc(C)c(O)c1[O-] ZINC000272800026 292341528 /nfs/dbraw/zinc/34/15/28/292341528.db2.gz YLDFDZNGZAUYCM-LBPRGKRZSA-N -1 3 313.353 3.142 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000246910965 432179007 /nfs/dbraw/zinc/17/90/07/432179007.db2.gz VWXZSFORUWKEPP-BLLLJJGKSA-N -1 3 323.820 3.249 20 10 DGCDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442906 432265676 /nfs/dbraw/zinc/26/56/76/432265676.db2.gz SJPKRNAHUGEQES-RISCZKNCSA-N -1 3 323.799 3.464 20 10 DGCDHM C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193079854 432447265 /nfs/dbraw/zinc/44/72/65/432447265.db2.gz IFJKWTHOCYDOEK-WCQYABFASA-N -1 3 315.344 3.255 20 10 DGCDHM COC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccc(C)o1 ZINC000184716932 432426226 /nfs/dbraw/zinc/42/62/26/432426226.db2.gz XFOCUKXWKGITRB-HNNXBMFYSA-N -1 3 321.348 3.113 20 10 DGCDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000185866176 432540016 /nfs/dbraw/zinc/54/00/16/432540016.db2.gz AHXSJIHKBYBVOR-SNVBAGLBSA-N -1 3 323.824 3.201 20 10 DGCDHM C[C@H](NCc1ccccc1N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469396 432602668 /nfs/dbraw/zinc/60/26/68/432602668.db2.gz JIVPSPRVZCRBKP-LBPRGKRZSA-N -1 3 315.373 3.217 20 10 DGCDHM Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)c([O-])c1O ZINC000177666111 432647804 /nfs/dbraw/zinc/64/78/04/432647804.db2.gz HWNXKAKEAYTRCR-UHFFFAOYSA-N -1 3 315.344 3.350 20 10 DGCDHM Cc1ccc(C(=O)N(C)CC2(c3ccccc3)CC2)c([O-])c1O ZINC000186752492 432629176 /nfs/dbraw/zinc/62/91/76/432629176.db2.gz NLZYFFDWKWVDNY-UHFFFAOYSA-N -1 3 311.381 3.210 20 10 DGCDHM COc1ccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000186837357 432632958 /nfs/dbraw/zinc/63/29/58/432632958.db2.gz MGUIFNOJNQLEGI-OAHLLOKOSA-N -1 3 313.353 3.084 20 10 DGCDHM CCc1nn(C)cc1NCc1cc(Br)ccc1[O-] ZINC000222947524 432674159 /nfs/dbraw/zinc/67/41/59/432674159.db2.gz SOKHWBUDLKDTTN-UHFFFAOYSA-N -1 3 310.195 3.063 20 10 DGCDHM CC(C)c1nc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000276851326 432826754 /nfs/dbraw/zinc/82/67/54/432826754.db2.gz BCRCNFGYIYTVNG-DTWKUNHWSA-N -1 3 310.348 3.324 20 10 DGCDHM CC(C)c1nc([C@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000276851322 432826947 /nfs/dbraw/zinc/82/69/47/432826947.db2.gz BCRCNFGYIYTVNG-BDAKNGLRSA-N -1 3 310.348 3.324 20 10 DGCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C1CCCCC1 ZINC000277082399 432829346 /nfs/dbraw/zinc/82/93/46/432829346.db2.gz APQSGVLOAJVQBD-UHFFFAOYSA-N -1 3 322.792 3.143 20 10 DGCDHM CN(CC(=O)N1CCC[C@H]2CCCC[C@H]21)Cc1ccccc1[O-] ZINC000245824120 432863806 /nfs/dbraw/zinc/86/38/06/432863806.db2.gz XHNCOTVHSFCCDD-NVXWUHKLSA-N -1 3 316.445 3.005 20 10 DGCDHM COc1c([O-])c(CNc2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000278846764 432908478 /nfs/dbraw/zinc/90/84/78/432908478.db2.gz KQITWCZVJNOOOF-UHFFFAOYSA-N -1 3 314.341 3.410 20 10 DGCDHM CCCOc1ccc(CN2CCOC[C@@H]2CC(F)F)c([O-])c1 ZINC000289800529 432974417 /nfs/dbraw/zinc/97/44/17/432974417.db2.gz SKYJYHZRBNSZQM-ZDUSSCGKSA-N -1 3 315.360 3.037 20 10 DGCDHM CCOCc1nnc([N-]Cc2c(C)c3ccccc3n2C)o1 ZINC000279593570 432987066 /nfs/dbraw/zinc/98/70/66/432987066.db2.gz FTHYFXWCLXYZBD-UHFFFAOYSA-N -1 3 300.362 3.018 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2cc(Cl)ccc2[O-])c(OC)n1 ZINC000290075958 432988122 /nfs/dbraw/zinc/98/81/22/432988122.db2.gz GJLYAXYXIADHFD-JTQLQIEISA-N -1 3 322.792 3.309 20 10 DGCDHM COC[C@@]1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000294325161 434086410 /nfs/dbraw/zinc/08/64/10/434086410.db2.gz XEEXCLRFASPCRC-INIZCTEOSA-N -1 3 311.809 3.107 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1/C=C/c1ccccc1 ZINC000366757338 434503111 /nfs/dbraw/zinc/50/31/11/434503111.db2.gz RTEXWOOQTXOZMS-RUMSDORHSA-N -1 3 309.365 3.416 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1O ZINC000295971803 434457253 /nfs/dbraw/zinc/45/72/53/434457253.db2.gz NNLJXYCQNFXJFU-UHFFFAOYSA-N -1 3 303.383 3.379 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000368127884 434565001 /nfs/dbraw/zinc/56/50/01/434565001.db2.gz XYZSYQQNFBPZOF-CYBMUJFWSA-N -1 3 312.200 3.343 20 10 DGCDHM CCn1nncc1CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000527917255 435017450 /nfs/dbraw/zinc/01/74/50/435017450.db2.gz SLADISDCXIKBIB-MRVPVSSYSA-N -1 3 315.204 3.161 20 10 DGCDHM CCCOc1ccc(CN2CCC[C@@H]2c2nc(C)no2)c([O-])c1 ZINC000289845641 334168438 /nfs/dbraw/zinc/16/84/38/334168438.db2.gz PSARWEPOBPTGOD-OAHLLOKOSA-N -1 3 317.389 3.210 20 10 DGCDHM CN1Cc2ccccc2[C@H](NCc2cccc(Cl)c2[O-])C1 ZINC000359900221 337440524 /nfs/dbraw/zinc/44/05/24/337440524.db2.gz OMEOPGLIIGSKSC-MRXNPFEDSA-N -1 3 302.805 3.322 20 10 DGCDHM CCCN(Cc1nnc(C)n1CCC)Cc1ccccc1[O-] ZINC000159983444 521695491 /nfs/dbraw/zinc/69/54/91/521695491.db2.gz ACGRHMHPMFVTOA-UHFFFAOYSA-N -1 3 302.422 3.114 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H]2C)c([O-])c1O ZINC000182577313 526130105 /nfs/dbraw/zinc/13/01/05/526130105.db2.gz BLKTYJNOMLLVJT-HIFRSBDPSA-N -1 3 311.381 3.424 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126687230 526324785 /nfs/dbraw/zinc/32/47/85/526324785.db2.gz ODKDYJBVFGSSDA-FOSCPWQOSA-N -1 3 302.201 3.187 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000152794449 527206357 /nfs/dbraw/zinc/20/63/57/527206357.db2.gz VWXZSFORUWKEPP-WBMJQRKESA-N -1 3 323.820 3.249 20 10 DGCDHM CC[C@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000730257241 574522952 /nfs/dbraw/zinc/52/29/52/574522952.db2.gz WUUZPUQYMHNEDD-HNNXBMFYSA-N -1 3 324.380 3.002 20 10 DGCDHM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1C ZINC000731912639 574561917 /nfs/dbraw/zinc/56/19/17/574561917.db2.gz WDCKXFLHJTXZCH-LLVKDONJSA-N -1 3 304.367 3.499 20 10 DGCDHM COc1ccccc1C(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000732278341 574569298 /nfs/dbraw/zinc/56/92/98/574569298.db2.gz IYBWJWHORFDQJK-UHFFFAOYSA-N -1 3 305.399 3.170 20 10 DGCDHM O=C(NCc1coc(-c2cccs2)n1)c1cc([O-])cs1 ZINC000732263579 574569388 /nfs/dbraw/zinc/56/93/88/574569388.db2.gz RSTYLOTXYDEPGE-UHFFFAOYSA-N -1 3 306.368 3.100 20 10 DGCDHM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc([O-])cs1)CC3 ZINC000732268350 574569675 /nfs/dbraw/zinc/56/96/75/574569675.db2.gz JLGGDNRVPLCVEI-UHFFFAOYSA-N -1 3 312.394 3.442 20 10 DGCDHM O=C(NCCCCOCCc1ccccc1)c1cc([O-])cs1 ZINC000732274570 574569845 /nfs/dbraw/zinc/56/98/45/574569845.db2.gz ROJGNLSRKNBAKA-UHFFFAOYSA-N -1 3 319.426 3.223 20 10 DGCDHM COc1cccc(C[C@@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000732274678 574569862 /nfs/dbraw/zinc/56/98/62/574569862.db2.gz LZKHUPQPSQMUME-ZDUSSCGKSA-N -1 3 317.410 3.310 20 10 DGCDHM CC(C)(C)NC(=O)c1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732273422 574569886 /nfs/dbraw/zinc/56/98/86/574569886.db2.gz VYGZKHIZJIOCLO-UHFFFAOYSA-N -1 3 318.398 3.234 20 10 DGCDHM C[C@@H](Cc1nc2ccccc2s1)NC(=O)c1cc([O-])cs1 ZINC000732278280 574570136 /nfs/dbraw/zinc/57/01/36/574570136.db2.gz GGLMIWGIRLFEIV-VIFPVBQESA-N -1 3 318.423 3.424 20 10 DGCDHM CN(CCCCNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732276352 574570138 /nfs/dbraw/zinc/57/01/38/574570138.db2.gz HVFSYCSVIADHQZ-UHFFFAOYSA-N -1 3 304.415 3.100 20 10 DGCDHM O=C(NCc1ccc(Br)cc1)c1cc([O-])cs1 ZINC000732279727 574570327 /nfs/dbraw/zinc/57/03/27/574570327.db2.gz NYSJRBLPRRAGPH-UHFFFAOYSA-N -1 3 312.188 3.146 20 10 DGCDHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000732282526 574570564 /nfs/dbraw/zinc/57/05/64/574570564.db2.gz PVGKELFEIGTALO-DZGCQCFKSA-N -1 3 303.383 3.104 20 10 DGCDHM O=C(NCCCc1nc2c(s1)CCCC2)c1cc([O-])cs1 ZINC000732284339 574570659 /nfs/dbraw/zinc/57/06/59/574570659.db2.gz PRZKTNUJMQKDGN-UHFFFAOYSA-N -1 3 322.455 3.152 20 10 DGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CSc3ccccc32)c1 ZINC000735509431 574703964 /nfs/dbraw/zinc/70/39/64/574703964.db2.gz ZRIYCUOFLDBRCX-ZDUSSCGKSA-N -1 3 302.355 3.237 20 10 DGCDHM CCOc1ccc(CNCc2cn3cccc(C)c3n2)c([O-])c1 ZINC000736642167 574762246 /nfs/dbraw/zinc/76/22/46/574762246.db2.gz SOOBPARRYZVFRE-UHFFFAOYSA-N -1 3 311.385 3.037 20 10 DGCDHM CCN(Cc1cc(C(=O)[O-])co1)Cc1ccc(N(C)C)cc1 ZINC000737106540 574824056 /nfs/dbraw/zinc/82/40/56/574824056.db2.gz QJODVLLQOWILLO-UHFFFAOYSA-N -1 3 302.374 3.066 20 10 DGCDHM CC[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(OC)cc1 ZINC000738653479 574876499 /nfs/dbraw/zinc/87/64/99/574876499.db2.gz ZJUAJVMYKKNIOO-ZDUSSCGKSA-N -1 3 320.366 3.281 20 10 DGCDHM CC[C@@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(OC)cc1 ZINC000738653478 574876582 /nfs/dbraw/zinc/87/65/82/574876582.db2.gz ZJUAJVMYKKNIOO-CYBMUJFWSA-N -1 3 320.366 3.281 20 10 DGCDHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cc([O-])cs1 ZINC000743474256 575053764 /nfs/dbraw/zinc/05/37/64/575053764.db2.gz JOHQRFOKCCSOCG-LLVKDONJSA-N -1 3 301.289 3.487 20 10 DGCDHM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc([O-])cs1 ZINC000746410314 575451268 /nfs/dbraw/zinc/45/12/68/575451268.db2.gz ZTKLWTMIMYUQDA-UHFFFAOYSA-N -1 3 322.333 3.201 20 10 DGCDHM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])cs1 ZINC000746893570 575483019 /nfs/dbraw/zinc/48/30/19/575483019.db2.gz CMEHRMHHLJHYCC-CWKPULSASA-N -1 3 323.439 3.024 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000748642306 575599422 /nfs/dbraw/zinc/59/94/22/575599422.db2.gz CJMXEFNZGKITCJ-UHFFFAOYSA-N -1 3 317.410 3.380 20 10 DGCDHM CCN(CCc1ccccn1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750819450 575753496 /nfs/dbraw/zinc/75/34/96/575753496.db2.gz PFXNYCFCNTXPSY-UHFFFAOYSA-N -1 3 316.376 3.194 20 10 DGCDHM CCO[C@@H]1C[C@H](N(C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826909 575753998 /nfs/dbraw/zinc/75/39/98/575753998.db2.gz UBWXMYMEQWXKHN-JKSUJKDBSA-N -1 3 323.408 3.369 20 10 DGCDHM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1cc([O-])cs1 ZINC000751070247 575769994 /nfs/dbraw/zinc/76/99/94/575769994.db2.gz RCLTUXSXSNSSSS-LLVKDONJSA-N -1 3 322.817 3.116 20 10 DGCDHM CCCOc1ccc(CNC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751535730 575789385 /nfs/dbraw/zinc/78/93/85/575789385.db2.gz TVHMHTRVHXZBSA-UHFFFAOYSA-N -1 3 315.369 3.125 20 10 DGCDHM Cc1ccc(C(=O)NCC(C)(C)c2ccccc2F)c([O-])c1O ZINC000751539000 575789823 /nfs/dbraw/zinc/78/98/23/575789823.db2.gz XNPCADVPXIDBNC-UHFFFAOYSA-N -1 3 317.360 3.253 20 10 DGCDHM COCCN(Cc1cc(F)cc(C(C)=O)c1[O-])C1CCCC1 ZINC000750816920 576158982 /nfs/dbraw/zinc/15/89/82/576158982.db2.gz CQTOAKRESWMCHZ-UHFFFAOYSA-N -1 3 309.381 3.125 20 10 DGCDHM C[C@H](NCc1nccc(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000840869644 618041822 /nfs/dbraw/zinc/04/18/22/618041822.db2.gz NIXHURPUZBDYMK-QMMMGPOBSA-N -1 3 315.270 3.191 20 10 DGCDHM CN(Cc1ccns1)Cc1c([O-])cccc1Br ZINC000895452752 618786578 /nfs/dbraw/zinc/78/65/78/618786578.db2.gz UXTSCRVPDAZRQW-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM CN(Cc1ccns1)Cc1ccc(Br)cc1[O-] ZINC000895451687 618786805 /nfs/dbraw/zinc/78/68/05/618786805.db2.gz DFNUBGQBRCXQSX-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM CCN(C(=O)CN[C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000903194561 619733957 /nfs/dbraw/zinc/73/39/57/619733957.db2.gz FFPNTNIROSKJIS-CYBMUJFWSA-N -1 3 316.376 3.235 20 10 DGCDHM Cc1ccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)s1 ZINC000914330929 620520776 /nfs/dbraw/zinc/52/07/76/620520776.db2.gz GNQUQKUHOQXMSO-SNVBAGLBSA-N -1 3 308.378 3.462 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000922621432 621067806 /nfs/dbraw/zinc/06/78/06/621067806.db2.gz CGYVDJGJYYMWEY-KBPBESRZSA-N -1 3 314.360 3.134 20 10 DGCDHM CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)c([O-])c1 ZINC000857548572 621095597 /nfs/dbraw/zinc/09/55/97/621095597.db2.gz OOSISRVXIRELAC-UHFFFAOYSA-N -1 3 305.761 3.244 20 10 DGCDHM CC[C@@H](CNC(=O)NCc1c([O-])cccc1F)CC(F)(F)F ZINC000922888169 621115136 /nfs/dbraw/zinc/11/51/36/621115136.db2.gz IHSWPTYSOYKRBZ-SECBINFHSA-N -1 3 322.302 3.309 20 10 DGCDHM C[C@]1(CCNC(=O)NCc2c([O-])cccc2F)C[C@@]1(F)Cl ZINC000923067270 621154222 /nfs/dbraw/zinc/15/42/22/621154222.db2.gz UNZIXCCVBFAOHI-KBPBESRZSA-N -1 3 318.751 3.035 20 10 DGCDHM C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccns1 ZINC000858317486 621174940 /nfs/dbraw/zinc/17/49/40/621174940.db2.gz PZQNCDMWHSXNAT-ZETCQYMHSA-N -1 3 313.766 3.261 20 10 DGCDHM CCC(F)(F)C(C)(C)CNC(=O)NCc1c([O-])cccc1F ZINC000923426318 621183176 /nfs/dbraw/zinc/18/31/76/621183176.db2.gz RVYXNFMNCVWBBB-UHFFFAOYSA-N -1 3 318.339 3.402 20 10 DGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)cccc1[O-] ZINC000858826983 621223207 /nfs/dbraw/zinc/22/32/07/621223207.db2.gz TXWHUIOXLNGSAZ-UHFFFAOYSA-N -1 3 312.413 3.429 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CC3(CC(F)C3)C2)c1 ZINC000839141018 621340494 /nfs/dbraw/zinc/34/04/94/621340494.db2.gz XOHGLRUCNDCGDM-UHFFFAOYSA-N -1 3 314.198 3.397 20 10 DGCDHM Cc1[nH]nc(NCc2cc(C)cc(Br)c2[O-])c1C ZINC000886197834 621383048 /nfs/dbraw/zinc/38/30/48/621383048.db2.gz NPABBSKXERVHST-UHFFFAOYSA-N -1 3 310.195 3.415 20 10 DGCDHM CC[C@@]1(C)CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862337117 621575875 /nfs/dbraw/zinc/57/58/75/621575875.db2.gz RBDOHABIFQCQOB-AWEZNQCLSA-N -1 3 314.223 3.156 20 10 DGCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Cl)cc1 ZINC000756334032 621628622 /nfs/dbraw/zinc/62/86/22/621628622.db2.gz WTZFROMEWZBNPD-INIZCTEOSA-N -1 3 317.772 3.190 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(OC)c2)c1 ZINC000756796576 621665415 /nfs/dbraw/zinc/66/54/15/621665415.db2.gz RNULPPXQKDYILS-NSHDSACASA-N -1 3 301.342 3.361 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC=C(C(F)(F)F)CC2)c1[O-] ZINC000757120967 621688295 /nfs/dbraw/zinc/68/82/95/621688295.db2.gz RAOWAILJTAEFSJ-UHFFFAOYSA-N -1 3 317.282 3.428 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCOCC3(CCC3)C2)c1[O-] ZINC000759914631 621902015 /nfs/dbraw/zinc/90/20/15/621902015.db2.gz HGEFPGIJWLKSRF-UHFFFAOYSA-N -1 3 323.820 3.251 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN2CCCC[C@@H]2C1 ZINC000211722363 625529658 /nfs/dbraw/zinc/52/96/58/625529658.db2.gz YTWKTWHUAFJPGA-CYBMUJFWSA-N -1 3 315.244 3.369 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1CC=CCC1 ZINC000769381120 622522705 /nfs/dbraw/zinc/52/27/05/622522705.db2.gz LDEUYNWKPVERER-CYBMUJFWSA-N -1 3 323.820 3.377 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C(F)(F)F)O1 ZINC000769495444 622533848 /nfs/dbraw/zinc/53/38/48/622533848.db2.gz FTMWOYNESIEADB-PRHODGIISA-N -1 3 309.715 3.197 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc(OC)c2F)c1 ZINC000769980442 622585574 /nfs/dbraw/zinc/58/55/74/622585574.db2.gz MCBKBWPCEVBEBB-JTQLQIEISA-N -1 3 319.332 3.500 20 10 DGCDHM C[C@H](Nc1cnn(CCO)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774305149 623129258 /nfs/dbraw/zinc/12/92/58/623129258.db2.gz ZQJCZLIVLLNKPY-QMMMGPOBSA-N -1 3 316.188 3.061 20 10 DGCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000774913548 623207894 /nfs/dbraw/zinc/20/78/94/623207894.db2.gz FASZTMHTSISVDQ-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM COc1c([O-])c(CNc2cc(F)ccc2C)ccc1[N+](=O)[O-] ZINC000774935580 623209591 /nfs/dbraw/zinc/20/95/91/623209591.db2.gz PLIFSLVQGWUDKO-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1cccc(O)c1[O-] ZINC000776320184 623411510 /nfs/dbraw/zinc/41/15/10/623411510.db2.gz LLXDPWNQFKILBT-UHFFFAOYSA-N -1 3 315.413 3.386 20 10 DGCDHM O=C(N[C@H]1CCC[C@@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000776351195 623415801 /nfs/dbraw/zinc/41/58/01/623415801.db2.gz UXLHSLSCYJCCSA-ZBFHGGJFSA-N -1 3 311.381 3.239 20 10 DGCDHM COc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])C(C)C)cc1 ZINC000776612508 623447268 /nfs/dbraw/zinc/44/72/68/623447268.db2.gz CVNDUCOKAFZMMY-MRXNPFEDSA-N -1 3 315.369 3.234 20 10 DGCDHM O=C(NCCCc1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000776643639 623448815 /nfs/dbraw/zinc/44/88/15/623448815.db2.gz JNUHLBSFYLVLHE-UHFFFAOYSA-N -1 3 305.761 3.114 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1cccc2c1CCCC2 ZINC000776744590 623459099 /nfs/dbraw/zinc/45/90/99/623459099.db2.gz LMIBHQBFAHQXHI-UHFFFAOYSA-N -1 3 303.383 3.072 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1OC(F)F ZINC000790524861 625664976 /nfs/dbraw/zinc/66/49/76/625664976.db2.gz CUOMGRCRMFPWIB-SECBINFHSA-N -1 3 323.295 3.190 20 10 DGCDHM [O-]c1c(CN[C@@H](CCO)c2ccccc2F)ccc(F)c1F ZINC000877606489 623960477 /nfs/dbraw/zinc/96/04/77/623960477.db2.gz CMLOYXLOQRZCQH-AWEZNQCLSA-N -1 3 311.303 3.023 20 10 DGCDHM Cc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000790716032 625689038 /nfs/dbraw/zinc/68/90/38/625689038.db2.gz GQNCFIROQLNCLN-HNNXBMFYSA-N -1 3 311.381 3.254 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccccc2F)CC1 ZINC000790747267 625692100 /nfs/dbraw/zinc/69/21/00/625692100.db2.gz VZHIBROOOUOKIU-UHFFFAOYSA-N -1 3 315.344 3.257 20 10 DGCDHM O=C(Nc1cc(C2CCCCC2)[nH]n1)c1cccc(O)c1[O-] ZINC000790744956 625692120 /nfs/dbraw/zinc/69/21/20/625692120.db2.gz GJSVBQOHBGSRRI-UHFFFAOYSA-N -1 3 301.346 3.121 20 10 DGCDHM CCSCc1ccnc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780998215 624008831 /nfs/dbraw/zinc/00/88/31/624008831.db2.gz ZDSPYXSVDDPJEB-UHFFFAOYSA-N -1 3 318.398 3.307 20 10 DGCDHM Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccc2)c([O-])c1O ZINC000781012924 624009817 /nfs/dbraw/zinc/00/98/17/624009817.db2.gz JEPSOGIXPOVQQG-UHFFFAOYSA-N -1 3 323.352 3.059 20 10 DGCDHM O=C1N[C@H](c2cc(Cl)ccc2[O-])Nc2cc(F)c(F)cc21 ZINC000877857997 624071525 /nfs/dbraw/zinc/07/15/25/624071525.db2.gz AJLSTOCJJZCGIN-CYBMUJFWSA-N -1 3 310.687 3.178 20 10 DGCDHM CSCc1cc(F)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790874704 625711169 /nfs/dbraw/zinc/71/11/69/625711169.db2.gz UFQWYXFJMLUXJZ-UHFFFAOYSA-N -1 3 321.373 3.030 20 10 DGCDHM COc1cnccc1[C@@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000783743785 624390631 /nfs/dbraw/zinc/39/06/31/624390631.db2.gz JWYVLDVVWIOJCT-SECBINFHSA-N -1 3 310.756 3.439 20 10 DGCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000787420681 625008791 /nfs/dbraw/zinc/00/87/91/625008791.db2.gz KNMLHKLBSPVIPU-KCJUWKMLSA-N -1 3 318.200 3.082 20 10 DGCDHM CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000211380873 625243003 /nfs/dbraw/zinc/24/30/03/625243003.db2.gz XJXMFBHPXMXQQO-JTQLQIEISA-N -1 3 303.233 3.225 20 10 DGCDHM O=C(Nc1cc(-c2ccccc2F)on1)c1cccc(O)c1[O-] ZINC000791045375 625743456 /nfs/dbraw/zinc/74/34/56/625743456.db2.gz UAAPMGGRFOSFLQ-UHFFFAOYSA-N -1 3 314.272 3.144 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](n2ccnc2)C1 ZINC000792166311 625918206 /nfs/dbraw/zinc/91/82/06/625918206.db2.gz VAJCYSUNEFEGTP-LLVKDONJSA-N -1 3 309.772 3.218 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cnccc2C)c1[O-] ZINC000796508037 626057171 /nfs/dbraw/zinc/05/71/71/626057171.db2.gz UCEMCKPNJLFWDJ-UHFFFAOYSA-N -1 3 302.349 3.069 20 10 DGCDHM CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1ccc(F)cc1[O-] ZINC000796935910 626097410 /nfs/dbraw/zinc/09/74/10/626097410.db2.gz HTGBJKJJSWNXLA-CYBMUJFWSA-N -1 3 318.348 3.202 20 10 DGCDHM O=C(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cccc(O)c1[O-] ZINC000798018200 626189457 /nfs/dbraw/zinc/18/94/57/626189457.db2.gz UUGKOMFHTDBHTE-GXFFZTMASA-N -1 3 321.735 3.176 20 10 DGCDHM CC(=O)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1F ZINC000804273365 626665459 /nfs/dbraw/zinc/66/54/59/626665459.db2.gz VXLPQYPNUHTVJI-UHFFFAOYSA-N -1 3 303.289 3.000 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCc3ccsc3C2)c1[O-] ZINC000132512378 626722572 /nfs/dbraw/zinc/72/25/72/626722572.db2.gz VEPWDGRUCCNTDR-UHFFFAOYSA-N -1 3 305.374 3.354 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CNc1cnccc1-n1cccn1 ZINC000809632997 626929838 /nfs/dbraw/zinc/92/98/38/626929838.db2.gz ZQHVTSQPDGOUPB-UHFFFAOYSA-N -1 3 318.739 3.378 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1O ZINC000136487023 627092235 /nfs/dbraw/zinc/09/22/35/627092235.db2.gz UWLOMXKHKCXIOL-UHFFFAOYSA-N -1 3 317.410 3.380 20 10 DGCDHM C[C@@H](Nc1ccc(OC2COC2)cc1)c1c([O-])cccc1F ZINC000886597224 627170712 /nfs/dbraw/zinc/17/07/12/627170712.db2.gz ZOVSOQCRVCHZJX-LLVKDONJSA-N -1 3 303.333 3.482 20 10 DGCDHM Cc1cnn([C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC000811520351 627287232 /nfs/dbraw/zinc/28/72/32/627287232.db2.gz NMPQOGPQWKFPME-CYBMUJFWSA-N -1 3 309.772 3.137 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)CC23CCC3)c1[O-] ZINC000817289798 627878865 /nfs/dbraw/zinc/87/88/65/627878865.db2.gz DIHAGEOMMOEOJM-AWEZNQCLSA-N -1 3 323.820 3.128 20 10 DGCDHM CC(C)O[C@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000928706605 628179406 /nfs/dbraw/zinc/17/94/06/628179406.db2.gz RNWYSLYJURLHTA-KRWDZBQOSA-N -1 3 317.360 3.314 20 10 DGCDHM COc1ccc(C(C)(C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928706581 628179523 /nfs/dbraw/zinc/17/95/23/628179523.db2.gz XRQOIPBIPDWAID-UHFFFAOYSA-N -1 3 317.360 3.134 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(c2cccc(F)c2)CCC1 ZINC000928708361 628180415 /nfs/dbraw/zinc/18/04/15/628180415.db2.gz GGWVQMKTGNERCG-UHFFFAOYSA-N -1 3 317.335 3.409 20 10 DGCDHM c1ccc(-c2nnn[n-]2)c(COc2ccc(N3CCCC3)cc2)c1 ZINC000823773263 628595849 /nfs/dbraw/zinc/59/58/49/628595849.db2.gz SXWOUFAXVWECFN-UHFFFAOYSA-N -1 3 321.384 3.046 20 10 DGCDHM c1ccc(-c2nn[n-]n2)c(COc2ccc(N3CCCC3)cc2)c1 ZINC000823773263 628595853 /nfs/dbraw/zinc/59/58/53/628595853.db2.gz SXWOUFAXVWECFN-UHFFFAOYSA-N -1 3 321.384 3.046 20 10 DGCDHM CC(C)n1ccnc1CNCc1cccc(Br)c1[O-] ZINC000825710326 628788621 /nfs/dbraw/zinc/78/86/21/628788621.db2.gz MATYHNPZEPEFLQ-UHFFFAOYSA-N -1 3 324.222 3.222 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@@H](C)[S@]1=O ZINC000825886830 628807508 /nfs/dbraw/zinc/80/75/08/628807508.db2.gz QQVPFVHTYVVBCR-JNHSQIPHSA-N -1 3 315.866 3.085 20 10 DGCDHM Cc1noc([C@H]2CCCN2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825899765 628809131 /nfs/dbraw/zinc/80/91/31/628809131.db2.gz DVTFHMOBZHQXCQ-CYBMUJFWSA-N -1 3 307.781 3.383 20 10 DGCDHM CCOc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000830074935 629222280 /nfs/dbraw/zinc/22/22/80/629222280.db2.gz AJJJYQSEDJLFAO-RCBQFDQVSA-N -1 3 319.401 3.009 20 10 DGCDHM CCOc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000830074935 629222283 /nfs/dbraw/zinc/22/22/83/629222283.db2.gz AJJJYQSEDJLFAO-RCBQFDQVSA-N -1 3 319.401 3.009 20 10 DGCDHM C[C@H](NCc1nccc(C(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000840869649 630369728 /nfs/dbraw/zinc/36/97/28/630369728.db2.gz NMKRRYAUYOSBCW-QMMMGPOBSA-N -1 3 315.270 3.191 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956715 630385398 /nfs/dbraw/zinc/38/53/98/630385398.db2.gz CSLURHRDQUVURS-HOCLYGCPSA-N -1 3 321.779 3.493 20 10 DGCDHM [O-]c1c(Cl)cccc1CN[C@@H](CCO)c1ccccc1F ZINC000843429322 630657356 /nfs/dbraw/zinc/65/73/56/630657356.db2.gz ARAVBRWNZMGSFT-HNNXBMFYSA-N -1 3 309.768 3.398 20 10 DGCDHM C[C@H](O)[C@H](NCc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017763 631206407 /nfs/dbraw/zinc/20/64/07/631206407.db2.gz PVDXCXIJOOMNQU-BONVTDFDSA-N -1 3 309.768 3.396 20 10 DGCDHM Cc1c(Cl)c(CNCc2cc(Cl)ccc2[O-])nn1C ZINC000846054394 631208318 /nfs/dbraw/zinc/20/83/18/631208318.db2.gz AMMDEQDKALYEAR-UHFFFAOYSA-N -1 3 300.189 3.031 20 10 DGCDHM Cc1ccc(C(=O)N2CC(C)(C)c3ccc(F)cc32)c([O-])c1O ZINC000846406726 631240134 /nfs/dbraw/zinc/24/01/34/631240134.db2.gz QWLXHDMVHFINIC-UHFFFAOYSA-N -1 3 315.344 3.483 20 10 DGCDHM CCn1cc(CN[C@@H](C)c2cc(Cl)c(Cl)cc2[O-])nn1 ZINC000850522339 632178231 /nfs/dbraw/zinc/17/82/31/632178231.db2.gz OUOMQJSIRVXWDP-QMMMGPOBSA-N -1 3 315.204 3.161 20 10 DGCDHM COc1ccnc(CN[C@@H](C)c2cc(Cl)ccc2[O-])c1F ZINC000850536977 632186014 /nfs/dbraw/zinc/18/60/14/632186014.db2.gz LLHPGUNGOKSANB-VIFPVBQESA-N -1 3 310.756 3.439 20 10 DGCDHM CC[C@@H](NCc1ncccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850552190 632190036 /nfs/dbraw/zinc/19/00/36/632190036.db2.gz MQWGVIHBZSQESC-GFCCVEGCSA-N -1 3 311.307 3.442 20 10 DGCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000185719873 660238033 /nfs/dbraw/zinc/23/80/33/660238033.db2.gz FEHXDIHETAJXQA-LSDHHAIUSA-N -1 3 321.417 3.154 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cccc(Cl)c1 ZINC000085204587 660381312 /nfs/dbraw/zinc/38/13/12/660381312.db2.gz OCKHJHQVXBQBER-UHFFFAOYSA-N -1 3 318.181 3.500 20 10 DGCDHM C[C@H]1N(Cc2c([O-])cccc2Br)CCOC1(C)C ZINC000707128016 660889669 /nfs/dbraw/zinc/88/96/69/660889669.db2.gz QQYYJFAOWKWJAM-SNVBAGLBSA-N -1 3 314.223 3.154 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])cccc2Br)CC(C)(C)O1 ZINC000707150895 660893998 /nfs/dbraw/zinc/89/39/98/660893998.db2.gz VVRJRHCEIVMCBQ-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM C[C@@H]1N(Cc2cc(Br)ccc2[O-])CCOC1(C)C ZINC000708259240 660919463 /nfs/dbraw/zinc/91/94/63/660919463.db2.gz WVXVAYQNTBEKCC-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)CC(C)C)c([O-])c1O ZINC000792803936 660985562 /nfs/dbraw/zinc/98/55/62/660985562.db2.gz XIBCWCTVQIZRGM-LBPRGKRZSA-N -1 3 317.389 3.462 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2CCO3)c1 ZINC000794832554 661108139 /nfs/dbraw/zinc/10/81/39/661108139.db2.gz ACUXMTSXTUYGOD-LLVKDONJSA-N -1 3 313.353 3.287 20 10 DGCDHM CN(C)c1ccc(C=Cc2nccc(=O)[n-]2)c(C(F)(F)F)c1 ZINC000794942476 661115541 /nfs/dbraw/zinc/11/55/41/661115541.db2.gz NJHDSEPHCGTBLM-XQRVVYSFSA-N -1 3 309.291 3.437 20 10 DGCDHM COc1ccc2ccccc2c1CNC(=O)c1cccc(O)c1[O-] ZINC000192975261 656183749 /nfs/dbraw/zinc/18/37/49/656183749.db2.gz LNXFETJTUVZJCT-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cccc(C2CC2)n1 ZINC000931554905 661488358 /nfs/dbraw/zinc/48/83/58/661488358.db2.gz RFNFPGYNQNQVAE-UHFFFAOYSA-N -1 3 301.321 3.125 20 10 DGCDHM Cc1nc(CC(C)C)c(NC(=O)c2cccc(O)c2[O-])s1 ZINC000193134147 662123515 /nfs/dbraw/zinc/12/35/15/662123515.db2.gz OCXUKXUAYWTYNX-UHFFFAOYSA-N -1 3 306.387 3.314 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)OCc2ccccc2)c1[O-] ZINC000090582894 662267344 /nfs/dbraw/zinc/26/73/44/662267344.db2.gz CECACHQRDOXBMP-UHFFFAOYSA-N -1 3 303.333 3.298 20 10 DGCDHM CC[C@H]1CN(Cc2cccc(Br)c2[O-])CCS1 ZINC000093502252 662355906 /nfs/dbraw/zinc/35/59/06/662355906.db2.gz YRWPDMZLNQJYFD-NSHDSACASA-N -1 3 316.264 3.482 20 10 DGCDHM C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC001589983309 1192480851 /nfs/dbraw/zinc/48/08/51/1192480851.db2.gz VWNBDVVZKFFEBH-GFCCVEGCSA-N -1 3 308.389 3.106 20 10 DGCDHM CC[C@H]([NH2+]Cc1cccc(C)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469691 1192512067 /nfs/dbraw/zinc/51/20/67/1192512067.db2.gz QXMXBTDYZSKLKY-INIZCTEOSA-N -1 3 323.400 3.122 20 10 DGCDHM Cc1cc(CNCc2cc(Cl)cc(C)c2O)oc1C(=O)[O-] ZINC001600209559 1192809343 /nfs/dbraw/zinc/80/93/43/1192809343.db2.gz ONFXLHLUXXLHMF-UHFFFAOYSA-N -1 3 309.749 3.243 20 10 DGCDHM O=C(CCCCc1cccc(O)c1)NCc1c([O-])cccc1F ZINC001350609438 1180093794 /nfs/dbraw/zinc/09/37/94/1180093794.db2.gz DKJYBIVDMCTJOC-UHFFFAOYSA-N -1 3 317.360 3.266 20 10 DGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N1CCCC[C@H]1C ZINC001604331808 1193066161 /nfs/dbraw/zinc/06/61/61/1193066161.db2.gz GSHIPBVKXDIYGF-MCIONIFRSA-N -1 3 320.433 3.004 20 10 DGCDHM C[C@@H]([NH2+]CCc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342602 1193067739 /nfs/dbraw/zinc/06/77/39/1193067739.db2.gz ZASHKZLXFINSRG-LLVKDONJSA-N -1 3 303.333 3.123 20 10 DGCDHM CC(C)Nc1ccc(F)cc1NC(=O)c1cccc(O)c1[O-] ZINC001445227305 1182140942 /nfs/dbraw/zinc/14/09/42/1182140942.db2.gz UGQYPTSZYICAHT-UHFFFAOYSA-N -1 3 304.321 3.310 20 10 DGCDHM CCc1nc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cs1 ZINC001605851545 1193179681 /nfs/dbraw/zinc/17/96/81/1193179681.db2.gz HSRXZILQCLNRSJ-SNVBAGLBSA-N -1 3 320.414 3.003 20 10 DGCDHM COc1c(Cl)cccc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC001461790690 1182854532 /nfs/dbraw/zinc/85/45/32/1182854532.db2.gz YQDKNMCQFDHQSK-UHFFFAOYSA-N -1 3 322.748 3.252 20 10 DGCDHM CC[C@@H](C)c1nnc([C@@H](C)NCc2cc(F)c(F)cc2[O-])[nH]1 ZINC001462184218 1182920408 /nfs/dbraw/zinc/92/04/08/1182920408.db2.gz QJWBCSYYYZCBBC-RKDXNWHRSA-N -1 3 310.348 3.153 20 10 DGCDHM CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC001467252925 1183249411 /nfs/dbraw/zinc/24/94/11/1183249411.db2.gz KPHWOGNCSSFBMN-OAHLLOKOSA-N -1 3 313.397 3.343 20 10 DGCDHM CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001607391350 1193226922 /nfs/dbraw/zinc/22/69/22/1193226922.db2.gz JZJDYAGZVOEHSL-KGYLQXTDSA-N -1 3 309.431 3.415 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccnc(Cl)c1Cl ZINC001471975995 1183604553 /nfs/dbraw/zinc/60/45/53/1183604553.db2.gz PJUSHWAWJYLOKW-UHFFFAOYSA-N -1 3 315.131 3.163 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(C)c2ccccc2CO)c1[O-] ZINC001473586041 1183776399 /nfs/dbraw/zinc/77/63/99/1183776399.db2.gz ADZHOSNWNVJDJX-UHFFFAOYSA-N -1 3 319.788 3.377 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H](C(F)(F)F)CC1 ZINC001474692663 1183963539 /nfs/dbraw/zinc/96/35/39/1183963539.db2.gz ANAWLFUNTIXJJO-GFCCVEGCSA-N -1 3 309.715 3.199 20 10 DGCDHM COc1ccc(C[NH2+][C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c([O-])c1 ZINC001610335779 1193383313 /nfs/dbraw/zinc/38/33/13/1193383313.db2.gz LMPLJTYEBMCRDS-DZGCQCFKSA-N -1 3 321.417 3.304 20 10 DGCDHM O=[N+]([O-])c1ccc(CNCc2c([O-])cccc2F)c(Cl)c1 ZINC001561015850 1189420479 /nfs/dbraw/zinc/42/04/79/1189420479.db2.gz IPCUEDGTIFDGOV-UHFFFAOYSA-N -1 3 310.712 3.383 20 10 DGCDHM COc1cc(CN(C)Cc2c([O-])cc(C)cc2Cl)sn1 ZINC001561022470 1189422158 /nfs/dbraw/zinc/42/21/58/1189422158.db2.gz PYYMVYQWEDCLJG-UHFFFAOYSA-N -1 3 312.822 3.451 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(c1)CCC2 ZINC001562110724 1189473535 /nfs/dbraw/zinc/47/35/35/1189473535.db2.gz ZBPVERUNSJDBID-UHFFFAOYSA-N -1 3 300.333 3.342 20 10 DGCDHM CSc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001564589077 1189585666 /nfs/dbraw/zinc/58/56/66/1189585666.db2.gz XHIIKYWHOOVROB-UHFFFAOYSA-N -1 3 320.389 3.253 20 10 DGCDHM COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001657860223 1196187474 /nfs/dbraw/zinc/18/74/74/1196187474.db2.gz NIQLDBJPQURTRI-HZMBPMFUSA-N -1 3 311.809 3.128 20 10 DGCDHM O=C(N[C@@H]1CCCc2c(F)cc(F)cc21)c1cccc(O)c1[O-] ZINC001628708449 1194192694 /nfs/dbraw/zinc/19/26/94/1194192694.db2.gz IFTNKXNZZUNKNN-CQSZACIVSA-N -1 3 319.307 3.183 20 10 DGCDHM O=C(Cc1c(F)cccc1Cl)NCc1c([O-])cccc1F ZINC001638858581 1194741336 /nfs/dbraw/zinc/74/13/36/1194741336.db2.gz WYAWMFHMAZCUSC-UHFFFAOYSA-N -1 3 311.715 3.183 20 10 DGCDHM Cc1cccc2[nH]cc(CC(=O)NCc3c([O-])cccc3F)c21 ZINC001638864080 1194741362 /nfs/dbraw/zinc/74/13/62/1194741362.db2.gz UJLOWAJSSPCYGJ-UHFFFAOYSA-N -1 3 312.344 3.180 20 10 DGCDHM COc1ccc(/C(C)=C\C(=O)NCc2c([O-])cccc2F)cc1 ZINC001638862603 1194741594 /nfs/dbraw/zinc/74/15/94/1194741594.db2.gz CRWREFDJXCVMQR-BENRWUELSA-N -1 3 315.344 3.260 20 10 DGCDHM O=C(Cc1ccc2c(c1)CCCC2)NCc1c([O-])cccc1F ZINC001645045745 1195152565 /nfs/dbraw/zinc/15/25/65/1195152565.db2.gz FWOBQFGBXMPFHR-UHFFFAOYSA-N -1 3 313.372 3.269 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)ncc1Cl ZINC001645048193 1195152574 /nfs/dbraw/zinc/15/25/74/1195152574.db2.gz KSEUJSKMZNQKIY-UHFFFAOYSA-N -1 3 315.131 3.163 20 10 DGCDHM Cc1cc([O-])c(CN2CC(=O)N(C(C)C)C(C)(C)C2)c(Cl)c1 ZINC001651722739 1195501282 /nfs/dbraw/zinc/50/12/82/1195501282.db2.gz LRSBKHPTRULNSB-UHFFFAOYSA-N -1 3 324.852 3.185 20 10 DGCDHM CC1(C)COc2c1cccc2C(=O)NCc1c([O-])cccc1F ZINC001652298998 1195577820 /nfs/dbraw/zinc/57/78/20/1195577820.db2.gz XWNIYZQNMIDLDE-UHFFFAOYSA-N -1 3 315.344 3.131 20 10 DGCDHM CC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1c(C)noc1C ZINC001657594498 1196158076 /nfs/dbraw/zinc/15/80/76/1196158076.db2.gz WFIAAAWGFSDERQ-CYBMUJFWSA-N -1 3 305.334 3.146 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC001658598286 1196278322 /nfs/dbraw/zinc/27/83/22/1196278322.db2.gz FPJVNPAGVIARCR-NSHDSACASA-N -1 3 309.715 3.199 20 10 DGCDHM COc1ccc2c(c1)[C@@H](NCc1cc(F)c(F)cc1[O-])CCO2 ZINC001658753260 1196297046 /nfs/dbraw/zinc/29/70/46/1196297046.db2.gz OYKRALJFKORIEK-HNNXBMFYSA-N -1 3 321.323 3.292 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(CC(C)C)C(=O)[C@@H]2C)cc1Cl ZINC001658955675 1196324435 /nfs/dbraw/zinc/32/44/35/1196324435.db2.gz YRYVWIUFOHXEEK-ZDUSSCGKSA-N -1 3 324.852 3.043 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])cc1O ZINC001659061920 1196339251 /nfs/dbraw/zinc/33/92/51/1196339251.db2.gz QZMUGCYSHRGIAS-UHFFFAOYSA-N -1 3 309.312 3.017 20 10 DGCDHM CC[C@H]1CN(CC)CCN1Cc1c([O-])ccc(Cl)c1F ZINC001659209875 1196358624 /nfs/dbraw/zinc/35/86/24/1196358624.db2.gz HAJCXRVZCQSUBR-NSHDSACASA-N -1 3 300.805 3.101 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1c(F)cc(F)cc1F ZINC001659612437 1196400244 /nfs/dbraw/zinc/40/02/44/1196400244.db2.gz XOBACMYKVBCFBS-UHFFFAOYSA-N -1 3 314.238 3.270 20 10 DGCDHM CN1CCc2c(NCc3ccc(Cl)cc3[O-])cccc2C1=O ZINC001660293736 1196468103 /nfs/dbraw/zinc/46/81/03/1196468103.db2.gz JSZXSBCGOLQMFG-UHFFFAOYSA-N -1 3 316.788 3.286 20 10 DGCDHM COc1cc(Cl)cc(C[NH2+]Cc2c([O-])cccc2F)c1[O-] ZINC001660743177 1196517969 /nfs/dbraw/zinc/51/79/69/1196517969.db2.gz YEJTWJHDSWAXRU-UHFFFAOYSA-N -1 3 311.740 3.189 20 10 DGCDHM Cc1noc([C@H](NCc2cc(Cl)c(F)cc2[O-])C(C)C)n1 ZINC001660951258 1196545281 /nfs/dbraw/zinc/54/52/81/1196545281.db2.gz BYFWWWMYMBHZMH-CYBMUJFWSA-N -1 3 313.760 3.363 20 10 DGCDHM CC(C)Oc1cc(NC(=O)NCc2c([O-])cccc2F)ccn1 ZINC001661011056 1196552915 /nfs/dbraw/zinc/55/29/15/1196552915.db2.gz QEYRQYLOIOGWNH-UHFFFAOYSA-N -1 3 319.336 3.035 20 10 DGCDHM Cc1c(F)c(F)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001662605600 1196733276 /nfs/dbraw/zinc/73/32/76/1196733276.db2.gz QOCLRIXXPFWTNR-UHFFFAOYSA-N -1 3 310.275 3.440 20 10 DGCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)c(Cl)n1 ZINC001675200156 1198004981 /nfs/dbraw/zinc/00/49/81/1198004981.db2.gz XHAFHDOTUIWQGO-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC001677315981 1198514118 /nfs/dbraw/zinc/51/41/18/1198514118.db2.gz UEYBDLWHZFTEIN-MRXNPFEDSA-N -1 3 314.360 3.326 20 10 DGCDHM Cc1ccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001677390699 1198527049 /nfs/dbraw/zinc/52/70/49/1198527049.db2.gz DIJKCQZLKUMYQA-GFCCVEGCSA-N -1 3 302.349 3.400 20 10 DGCDHM C=COc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001678341764 1198671226 /nfs/dbraw/zinc/67/12/26/1198671226.db2.gz ICXBGJIKGFDWRR-UHFFFAOYSA-N -1 3 302.305 3.375 20 10 DGCDHM Cc1cc(Br)cc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000229418135 1202596242 /nfs/dbraw/zinc/59/62/42/1202596242.db2.gz VJEPBJOYNDKYPO-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM CC[C@@](C[NH2+]Cc1ccc(C)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595167993 979725872 /nfs/dbraw/zinc/72/58/72/979725872.db2.gz JIHWXPUSEGNIDH-IBGZPJMESA-N -1 3 313.397 3.223 20 10 DGCDHM C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593299874 994726221 /nfs/dbraw/zinc/72/62/21/994726221.db2.gz XIKLTCRLLZQWJV-LBPRGKRZSA-N -1 3 314.385 3.007 20 10 DGCDHM COCC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219143 997635827 /nfs/dbraw/zinc/63/58/27/997635827.db2.gz WPBWLDHDZBGMPD-SMDDNHRTSA-N -1 3 319.357 3.112 20 10 DGCDHM O=C(NC1(c2cccc(F)c2)CCC1)c1cccc(O)c1[O-] ZINC001299807907 1082232928 /nfs/dbraw/zinc/23/29/28/1082232928.db2.gz VGNYOYDEFGKHIV-UHFFFAOYSA-N -1 3 301.317 3.046 20 10 DGCDHM CN1c2ccccc2CN(Cc2ccc(Cl)cc2[O-])CC1=O ZINC001182940952 1083842785 /nfs/dbraw/zinc/84/27/85/1083842785.db2.gz FSGLSDQWDKZOSU-UHFFFAOYSA-N -1 3 316.788 3.024 20 10 DGCDHM CC(C)[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC001203645723 1084703155 /nfs/dbraw/zinc/70/31/55/1084703155.db2.gz NJKBZJSQBPZBEC-ZDUSSCGKSA-N -1 3 314.223 3.012 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC001610462638 1126239383 /nfs/dbraw/zinc/23/93/83/1126239383.db2.gz PLDMLGDXDXYYFJ-HNNXBMFYSA-N -1 3 319.788 3.140 20 10 DGCDHM COc1ccc2c(c1)CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142509137 1087274877 /nfs/dbraw/zinc/27/48/77/1087274877.db2.gz YGNOEAXGDHLTNS-UHFFFAOYSA-N -1 3 305.324 3.237 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928421 1087707343 /nfs/dbraw/zinc/70/73/43/1087707343.db2.gz JSAQKNFERPBGRE-OTYXRUKQSA-N -1 3 305.752 3.290 20 10 DGCDHM COc1ncncc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523624 1088591456 /nfs/dbraw/zinc/59/14/56/1088591456.db2.gz QGWSXLCAZCRWPS-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCc2occc2C1 ZINC001203650512 1090773683 /nfs/dbraw/zinc/77/36/83/1090773683.db2.gz VRRLMGMSKQFEQT-UHFFFAOYSA-N -1 3 308.175 3.306 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCc2cccnc2C1 ZINC001203650210 1090773620 /nfs/dbraw/zinc/77/36/20/1090773620.db2.gz NENIWMOENRVDQS-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001203664505 1090776055 /nfs/dbraw/zinc/77/60/55/1090776055.db2.gz HYEAQLFYHIZRKK-MRXNPFEDSA-N -1 3 304.777 3.014 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2ccsc2)CC1 ZINC001205023688 1091086699 /nfs/dbraw/zinc/08/66/99/1091086699.db2.gz HFBFOPNYWONBQD-UHFFFAOYSA-N -1 3 324.396 3.050 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC[C@H](F)C1 ZINC001139127269 1091459143 /nfs/dbraw/zinc/45/91/43/1091459143.db2.gz SWXVLLQHNJICHM-LBPRGKRZSA-N -1 3 305.349 3.131 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001139683616 1091641304 /nfs/dbraw/zinc/64/13/04/1091641304.db2.gz OUNDXRGPNQAJES-ZDUSSCGKSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CC(F)(F)C[C@H]1CF ZINC001140098612 1091766270 /nfs/dbraw/zinc/76/62/70/1091766270.db2.gz HQDBSNADSMNSJE-QMMMGPOBSA-N -1 3 324.140 3.334 20 10 DGCDHM [O-]c1cccc(Br)c1CN1C[C@@H](F)C[C@H]1CF ZINC001140098797 1091766515 /nfs/dbraw/zinc/76/65/15/1091766515.db2.gz LLUBIVSZDPZNJQ-IUCAKERBSA-N -1 3 306.150 3.037 20 10 DGCDHM CN(Cc1ccccn1)Cc1c([O-])cccc1Br ZINC001140098926 1091767621 /nfs/dbraw/zinc/76/76/21/1091767621.db2.gz TUMHJMHSBYJWMR-UHFFFAOYSA-N -1 3 307.191 3.182 20 10 DGCDHM CN1CCN(Cc2cc(F)c(F)cc2[O-])[C@@H](c2ccccc2)C1 ZINC001142502075 1092490289 /nfs/dbraw/zinc/49/02/89/1092490289.db2.gz IDEKITKQKJBKTQ-QGZVFWFLSA-N -1 3 318.367 3.159 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@H](Oc2cccnc2)C1 ZINC001142524949 1092494070 /nfs/dbraw/zinc/49/40/70/1092494070.db2.gz QVNLAXFJIGMVOT-AWEZNQCLSA-N -1 3 320.339 3.109 20 10 DGCDHM O=C(N[C@@H](CCc1ccccc1)C(F)F)c1cccc(O)c1[O-] ZINC001300878992 1092526388 /nfs/dbraw/zinc/52/63/88/1092526388.db2.gz SWQQBUUQZXGFBQ-ZDUSSCGKSA-N -1 3 321.323 3.094 20 10 DGCDHM O=C1CCCc2cc(-c3noc(-c4cccc(O)c4[O-])n3)ccc21 ZINC001215145952 1093927144 /nfs/dbraw/zinc/92/71/44/1093927144.db2.gz TYQYYLWGAWJGCH-UHFFFAOYSA-N -1 3 322.320 3.334 20 10 DGCDHM COc1c(C)cc(-c2noc(-c3cccc(O)c3[O-])n2)cc1C ZINC001215145945 1093927163 /nfs/dbraw/zinc/92/71/63/1093927163.db2.gz STSVSMBJQYIVON-UHFFFAOYSA-N -1 3 312.325 3.440 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(F)c2Cl)no1 ZINC001215325499 1093960468 /nfs/dbraw/zinc/96/04/68/1093960468.db2.gz WVUUTKZHDDTUKN-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(F)c1F ZINC001215325263 1093960480 /nfs/dbraw/zinc/96/04/80/1093960480.db2.gz JCTVJPUMLHJJIE-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM Cc1cc(F)c(F)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325186 1093960588 /nfs/dbraw/zinc/96/05/88/1093960588.db2.gz GAMLTKOHYRLLTQ-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3ccncc3c2)no1 ZINC001215325359 1093960796 /nfs/dbraw/zinc/96/07/96/1093960796.db2.gz OIFULSHRYJRCQQ-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cc(F)ccc3Cl)no2)cc1O ZINC001215327516 1093961510 /nfs/dbraw/zinc/96/15/10/1093961510.db2.gz FLXDGALWMPFIGF-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](C)CO1 ZINC000403839921 1094187441 /nfs/dbraw/zinc/18/74/41/1094187441.db2.gz SGZROYZOKZFVJK-GWCFXTLKSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@H](C)CO1 ZINC000403839926 1094188105 /nfs/dbraw/zinc/18/81/05/1094188105.db2.gz SGZROYZOKZFVJK-ZWNOBZJWSA-N -1 3 314.223 3.154 20 10 DGCDHM [O-]c1c(CN2CCC(Nc3ccccn3)CC2)ccc(F)c1F ZINC001119977095 1094330862 /nfs/dbraw/zinc/33/08/62/1094330862.db2.gz MPZNBTCDRFHPOG-UHFFFAOYSA-N -1 3 319.355 3.142 20 10 DGCDHM C[C@]1(CF)CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298368 1095590472 /nfs/dbraw/zinc/59/04/72/1095590472.db2.gz CJVFSKBONBBWLU-CYBMUJFWSA-N -1 3 320.177 3.475 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H](CF)C1 ZINC001144300173 1095595690 /nfs/dbraw/zinc/59/56/90/1095595690.db2.gz VSPYDGUAATYESO-SECBINFHSA-N -1 3 320.177 3.475 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2cc(F)c([O-])cc2F)cc1 ZINC001144660263 1095759855 /nfs/dbraw/zinc/75/98/55/1095759855.db2.gz YRRNJFMCQVLMAL-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM C[C@](O)(C1CCN(Cc2c([O-])cccc2F)CC1)C(F)(F)F ZINC001137840409 1095760691 /nfs/dbraw/zinc/76/06/91/1095760691.db2.gz ZMWLNTDCIDZMCO-AWEZNQCLSA-N -1 3 321.314 3.057 20 10 DGCDHM Cc1cccc(C)c1N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC001138131392 1095902459 /nfs/dbraw/zinc/90/24/59/1095902459.db2.gz YWULEBUCOHHGPY-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM Cc1cc([C@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)ccc1Cl ZINC001148590132 1096408787 /nfs/dbraw/zinc/40/87/87/1096408787.db2.gz XLXNRZQGKCYGNT-VIFPVBQESA-N -1 3 321.760 3.256 20 10 DGCDHM CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148590320 1096408980 /nfs/dbraw/zinc/40/89/80/1096408980.db2.gz HONYVQKRPXEKOG-TXEJJXNPSA-N -1 3 307.390 3.138 20 10 DGCDHM O=C(N[C@@H](C1CCCCC1)C(F)(F)F)c1cccc(O)c1[O-] ZINC001148898512 1096463165 /nfs/dbraw/zinc/46/31/65/1096463165.db2.gz DXOPNWCSRHDUED-ZDUSSCGKSA-N -1 3 317.307 3.339 20 10 DGCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C=CCC3)cccc21 ZINC001226380512 1096675225 /nfs/dbraw/zinc/67/52/25/1096675225.db2.gz XLTDRNJBKRVAHP-LLVKDONJSA-N -1 3 306.317 3.265 20 10 DGCDHM Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])cn1 ZINC001231455703 1097752806 /nfs/dbraw/zinc/75/28/06/1097752806.db2.gz UEIAPCXTFAMIOC-INIZCTEOSA-N -1 3 312.369 3.131 20 10 DGCDHM Cc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])cn1 ZINC001231455703 1097752810 /nfs/dbraw/zinc/75/28/10/1097752810.db2.gz UEIAPCXTFAMIOC-INIZCTEOSA-N -1 3 312.369 3.131 20 10 DGCDHM CN1CCN(Cc2c([O-])ccc(F)c2F)[C@@H](c2ccccc2)C1 ZINC001233331610 1098292796 /nfs/dbraw/zinc/29/27/96/1098292796.db2.gz DBIZBAYFKBQBSY-MRXNPFEDSA-N -1 3 318.367 3.159 20 10 DGCDHM Cc1cccnc1O[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336239 1098294704 /nfs/dbraw/zinc/29/47/04/1098294704.db2.gz DWMAWTHLYDMFDO-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1ccn2cc(CNCc3cc(Cl)cc(F)c3[O-])nc2c1 ZINC001177733181 1098593842 /nfs/dbraw/zinc/59/38/42/1098593842.db2.gz HCUVKFDDWMRYQS-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM O=C1CCN(Cc2cccc(-c3ccccc3)c2[O-])CC1(F)F ZINC001234994039 1098737884 /nfs/dbraw/zinc/73/78/84/1098737884.db2.gz DSJUEBOPGWZGEW-UHFFFAOYSA-N -1 3 317.335 3.469 20 10 DGCDHM Cc1cc(NCc2c([O-])cccc2F)nc(-c2cccs2)n1 ZINC001187676811 1099570861 /nfs/dbraw/zinc/57/08/61/1099570861.db2.gz FQLRRULSSPJDDR-UHFFFAOYSA-N -1 3 315.373 3.392 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](F)C[C@H]2C)c1 ZINC001236662407 1099731041 /nfs/dbraw/zinc/73/10/41/1099731041.db2.gz DQFUMPRMAXQHKI-KOLCDFICSA-N -1 3 302.187 3.395 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@H](CCO)C1 ZINC001236795520 1099791055 /nfs/dbraw/zinc/79/10/55/1099791055.db2.gz FWFRMECHQNMERF-JTQLQIEISA-N -1 3 304.217 3.293 20 10 DGCDHM CN(Cc1cnn(C)c1)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794988 1099791394 /nfs/dbraw/zinc/79/13/94/1099791394.db2.gz ZBIJDKVLIUYOGD-UHFFFAOYSA-N -1 3 300.189 3.065 20 10 DGCDHM CCN(Cc1ccccn1)Cc1c([O-])cc(OC)cc1Cl ZINC001236803359 1099797272 /nfs/dbraw/zinc/79/72/72/1099797272.db2.gz MMKNMYCJAZFMPN-UHFFFAOYSA-N -1 3 306.793 3.471 20 10 DGCDHM Cc1cc([O-])c(CN2CCC(=O)C[C@@H]2C)cc1Br ZINC001237678078 1100211664 /nfs/dbraw/zinc/21/16/64/1100211664.db2.gz RVDBVEWACUVZQK-JTQLQIEISA-N -1 3 312.207 3.017 20 10 DGCDHM CCCOC1CN(Cc2cc(Br)c(C)cc2[O-])C1 ZINC001237679620 1100213226 /nfs/dbraw/zinc/21/32/26/1100213226.db2.gz SMNFISTZPKMWEY-UHFFFAOYSA-N -1 3 314.223 3.074 20 10 DGCDHM Cc1ccc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])[nH]1 ZINC001193911428 1100841226 /nfs/dbraw/zinc/84/12/26/1100841226.db2.gz MTIVMPALIAYALS-UHFFFAOYSA-N -1 3 315.760 3.160 20 10 DGCDHM C=CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC001198566708 1101907815 /nfs/dbraw/zinc/90/78/15/1101907815.db2.gz JLZINWPSCKHGQS-UHFFFAOYSA-N -1 3 321.785 3.456 20 10 DGCDHM CC(C)c1ccc(NC(=S)NCc2ncccc2[O-])cc1 ZINC001198635939 1101937560 /nfs/dbraw/zinc/93/75/60/1101937560.db2.gz MXJIPHSWMAZSGE-UHFFFAOYSA-N -1 3 301.415 3.397 20 10 DGCDHM Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001258926995 1107059476 /nfs/dbraw/zinc/05/94/76/1107059476.db2.gz TVMBPZZPLVZLFT-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(C)nc2C)c1 ZINC001321036626 1107230645 /nfs/dbraw/zinc/23/06/45/1107230645.db2.gz BIBRQJYIWMHZBT-LLVKDONJSA-N -1 3 300.358 3.364 20 10 DGCDHM Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1C ZINC001260997939 1107339306 /nfs/dbraw/zinc/33/93/06/1107339306.db2.gz ANXYWUNJSBOOJT-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM C[C@H](SCc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001303878595 1111156790 /nfs/dbraw/zinc/15/67/90/1111156790.db2.gz OEMZLGPOSQXGTM-LBPRGKRZSA-N -1 3 319.401 3.469 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1ccc(OC2COC2)cc1 ZINC001308698523 1111462700 /nfs/dbraw/zinc/46/27/00/1111462700.db2.gz XNHAJXNLSZFMDN-UHFFFAOYSA-N -1 3 305.761 3.435 20 10 DGCDHM Cc1sc(NC(=O)CN(C)Cc2ccccc2[O-])c(C)c1C ZINC000072629621 191204354 /nfs/dbraw/zinc/20/43/54/191204354.db2.gz RPDQQLBFVCTSAK-UHFFFAOYSA-N -1 3 318.442 3.449 20 10 DGCDHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179512476 432060835 /nfs/dbraw/zinc/06/08/35/432060835.db2.gz HVPNLGVSPKQRCT-HNNXBMFYSA-N -1 3 314.385 3.415 20 10 DGCDHM [O-]c1ccc(F)cc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000179977855 432075698 /nfs/dbraw/zinc/07/56/98/432075698.db2.gz LSRUYTCUXPWSMZ-INIZCTEOSA-N -1 3 305.349 3.306 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC3(CCCC3=O)CC2)c1[O-] ZINC000852631122 620635747 /nfs/dbraw/zinc/63/57/47/620635747.db2.gz ICDDYMNAHUGGJK-UHFFFAOYSA-N -1 3 319.376 3.069 20 10 DGCDHM C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997203 296156225 /nfs/dbraw/zinc/15/62/25/296156225.db2.gz YRAWUODMFQJFGU-NOZJJQNGSA-N -1 3 307.344 3.132 20 10 DGCDHM COc1cc2c(cc1OC)CN(Cc1cc(F)ccc1[O-])CC2 ZINC000179881273 533169500 /nfs/dbraw/zinc/16/95/00/533169500.db2.gz QIIHWLRNZXAVKV-UHFFFAOYSA-N -1 3 317.360 3.107 20 10 DGCDHM COCC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccco1 ZINC000273327217 130108406 /nfs/dbraw/zinc/10/84/06/130108406.db2.gz YIBXQRDAHFLWDX-HNNXBMFYSA-N -1 3 321.348 3.194 20 10 DGCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000273417940 130118360 /nfs/dbraw/zinc/11/83/60/130118360.db2.gz RFQQTNWRSMRKAA-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM CCn1cc(CN[C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000273498378 130129369 /nfs/dbraw/zinc/12/93/69/130129369.db2.gz POSPFAIMTKTCCQ-JTQLQIEISA-N -1 3 324.222 3.222 20 10 DGCDHM C[C@@H](c1ccccc1)N(Cc1cnn(C)n1)Cc1ccccc1[O-] ZINC000289411120 131383472 /nfs/dbraw/zinc/38/34/72/131383472.db2.gz UZPSUMQZEIMDBL-HNNXBMFYSA-N -1 3 322.412 3.284 20 10 DGCDHM CN(CC(=O)N(Cc1ccccc1)C1CC1)Cc1ccccc1[O-] ZINC000109772751 431178255 /nfs/dbraw/zinc/17/82/55/431178255.db2.gz UUJJAMVDLCAPJP-UHFFFAOYSA-N -1 3 324.424 3.015 20 10 DGCDHM CN(Cc1cc(Cl)ccc1[O-])[C@H]1CCCc2c1cnn2C ZINC000093863972 431918710 /nfs/dbraw/zinc/91/87/10/431918710.db2.gz GZTPESCRXRKYMU-AWEZNQCLSA-N -1 3 305.809 3.289 20 10 DGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1-c1ncco1 ZINC000193137583 432453361 /nfs/dbraw/zinc/45/33/61/432453361.db2.gz LHHJIGKZRSHMPV-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM COC[C@H](NCc1cc(Cl)cc(OC)c1[O-])c1ccco1 ZINC000184709702 432423822 /nfs/dbraw/zinc/42/38/22/432423822.db2.gz YTROWUWEJJAUMR-LBPRGKRZSA-N -1 3 311.765 3.125 20 10 DGCDHM CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588295 432614452 /nfs/dbraw/zinc/61/44/52/432614452.db2.gz OKANEGXOUXJABF-IAQYHMDHSA-N -1 3 301.346 3.497 20 10 DGCDHM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000185697280 292670691 /nfs/dbraw/zinc/67/06/91/292670691.db2.gz NEWDXYJUZQZZTK-UONOGXRCSA-N -1 3 311.381 3.424 20 10 DGCDHM CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278216921 432889270 /nfs/dbraw/zinc/88/92/70/432889270.db2.gz LCGBYBRZRORKKR-UHFFFAOYSA-N -1 3 322.386 3.393 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2ccccc2C)ccc1[N+](=O)[O-] ZINC000278202588 432889487 /nfs/dbraw/zinc/88/94/87/432889487.db2.gz JCXVOOANMYBXQO-UHFFFAOYSA-N -1 3 316.357 3.249 20 10 DGCDHM CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369207 432891497 /nfs/dbraw/zinc/89/14/97/432891497.db2.gz BYUNYPIBLQJQHP-BDAKNGLRSA-N -1 3 319.232 3.216 20 10 DGCDHM CC[C@H](C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277470777 432853493 /nfs/dbraw/zinc/85/34/93/432853493.db2.gz UVGTVHDGBXMNED-WDEREUQCSA-N -1 3 324.808 3.244 20 10 DGCDHM COCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278837828 432906929 /nfs/dbraw/zinc/90/69/29/432906929.db2.gz JIQISKSREYGGIX-UHFFFAOYSA-N -1 3 318.329 3.068 20 10 DGCDHM CCCOc1ccc(CNCc2csc(COC)n2)c([O-])c1 ZINC000289684408 432971447 /nfs/dbraw/zinc/97/14/47/432971447.db2.gz CRYYSPIHSJLWGB-UHFFFAOYSA-N -1 3 322.430 3.074 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000289721576 432972510 /nfs/dbraw/zinc/97/25/10/432972510.db2.gz JRAFFRCNDZSJDC-RDJZCZTQSA-N -1 3 321.392 3.123 20 10 DGCDHM COCCN(Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000289709627 432973309 /nfs/dbraw/zinc/97/33/09/432973309.db2.gz GPTMGUQXXLTUPD-UHFFFAOYSA-N -1 3 306.793 3.089 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289814549 432974558 /nfs/dbraw/zinc/97/45/58/432974558.db2.gz SZKVJCCVUWCWCP-CYBMUJFWSA-N -1 3 323.742 3.325 20 10 DGCDHM C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC000295297018 289032056 /nfs/dbraw/zinc/03/20/56/289032056.db2.gz GSNQRVHDFSRKLB-AEJSXWLSSA-N -1 3 317.307 3.289 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290901150 433203241 /nfs/dbraw/zinc/20/32/41/433203241.db2.gz MCNCOGAVXYMKPD-NSHDSACASA-N -1 3 312.200 3.343 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000375333999 433434379 /nfs/dbraw/zinc/43/43/79/433434379.db2.gz AYWFQAOLQHAIGB-HZPDHXFCSA-N -1 3 323.820 3.392 20 10 DGCDHM CCCN(Cc1ncnn1-c1ccccc1)Cc1ccccc1[O-] ZINC000282138337 433507794 /nfs/dbraw/zinc/50/77/94/433507794.db2.gz ZGMGKZIGQJTJER-UHFFFAOYSA-N -1 3 322.412 3.385 20 10 DGCDHM CCCCN(CC(=O)c1cccn1C)Cc1ccccc1[O-] ZINC000282377304 433584908 /nfs/dbraw/zinc/58/49/08/433584908.db2.gz FQUQRGOVILIZCB-UHFFFAOYSA-N -1 3 300.402 3.216 20 10 DGCDHM Cc1nnc([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])s1 ZINC000293624620 433805777 /nfs/dbraw/zinc/80/57/77/433805777.db2.gz MUQFFPQCHLSVEB-ZCFIWIBFSA-N -1 3 301.774 3.195 20 10 DGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2ccncc2)c([O-])c1O ZINC000293921881 433924755 /nfs/dbraw/zinc/92/47/55/433924755.db2.gz NECSTDHILGOTOR-MRXNPFEDSA-N -1 3 312.369 3.025 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1noc2c1CCCC2 ZINC000294053146 433979272 /nfs/dbraw/zinc/97/92/72/433979272.db2.gz XFSSKQCKHGLEDZ-UHFFFAOYSA-N -1 3 310.756 3.341 20 10 DGCDHM CCC[C@]1(CO)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000377836109 434015327 /nfs/dbraw/zinc/01/53/27/434015327.db2.gz YYZRVNIYOSHZOQ-HNNXBMFYSA-N -1 3 301.789 3.169 20 10 DGCDHM CC[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000295068159 434179217 /nfs/dbraw/zinc/17/92/17/434179217.db2.gz QTTHFKBAGPMITA-LBPRGKRZSA-N -1 3 311.307 3.442 20 10 DGCDHM CCOC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295497449 434387551 /nfs/dbraw/zinc/38/75/51/434387551.db2.gz YCQNDZZXOBPOPQ-NSHDSACASA-N -1 3 301.789 3.433 20 10 DGCDHM COc1ncc(CN[C@@H](C)c2ccc(F)cc2[O-])cc1Cl ZINC000295843760 434440495 /nfs/dbraw/zinc/44/04/95/434440495.db2.gz ARSKDJZBQGHVHX-VIFPVBQESA-N -1 3 310.756 3.439 20 10 DGCDHM O=C1CCCCN1[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372412866 434823521 /nfs/dbraw/zinc/82/35/21/434823521.db2.gz AIKQPYPNPNUBPE-HNNXBMFYSA-N -1 3 322.836 3.023 20 10 DGCDHM O=C([C@H]1CCCCN1Cc1cc(Cl)ccc1[O-])N1CCCC1 ZINC000372417318 434824049 /nfs/dbraw/zinc/82/40/49/434824049.db2.gz VNTJOALEBNZNPH-OAHLLOKOSA-N -1 3 322.836 3.023 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529666575 435039234 /nfs/dbraw/zinc/03/92/34/435039234.db2.gz WZENOHIRHYPLRJ-UHFFFAOYSA-N -1 3 315.804 3.271 20 10 DGCDHM C[C@@H]1[C@H](C(=O)NCc2cc(Br)ccc2[O-])[C@H]1C1CC1 ZINC000529391529 340753884 /nfs/dbraw/zinc/75/38/84/340753884.db2.gz ZYSWRIWNUASDHS-PCTYZZJISA-N -1 3 324.218 3.063 20 10 DGCDHM [O-]c1ccccc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000179568458 534457208 /nfs/dbraw/zinc/45/72/08/534457208.db2.gz UAUJEJLZFOAROT-QGZVFWFLSA-N -1 3 305.324 3.244 20 10 DGCDHM C[S@](=O)C[C@H](NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099765 525389046 /nfs/dbraw/zinc/38/90/46/525389046.db2.gz IJYKAEOPHJBUSM-BTYIYWSLSA-N -1 3 323.845 3.255 20 10 DGCDHM [O-]c1ccc(F)cc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000179977870 526346034 /nfs/dbraw/zinc/34/60/34/526346034.db2.gz LSRUYTCUXPWSMZ-MRXNPFEDSA-N -1 3 305.349 3.306 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccc(F)cc2)C1 ZINC000179936444 526349552 /nfs/dbraw/zinc/34/95/52/526349552.db2.gz KOMRBGQTQAVGHX-KRWDZBQOSA-N -1 3 305.324 3.244 20 10 DGCDHM Cc1csc([C@H](NC(=O)c2ccc(C)c(O)c2[O-])C2CC2)n1 ZINC000179517659 526439866 /nfs/dbraw/zinc/43/98/66/526439866.db2.gz ZTAUVERYRLVRPA-GFCCVEGCSA-N -1 3 318.398 3.052 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(C)CCc2ccccn2)c1[O-] ZINC000126771643 527206606 /nfs/dbraw/zinc/20/66/06/527206606.db2.gz LYXMHAFCFFPCRA-UHFFFAOYSA-N -1 3 318.804 3.318 20 10 DGCDHM CCCCCN(CCCOC)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272967087 528170915 /nfs/dbraw/zinc/17/09/15/528170915.db2.gz KJMSCEAUGQDOGT-UHFFFAOYSA-N -1 3 309.406 3.075 20 10 DGCDHM CCNC(=O)[C@H](C)N[C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887820 535405768 /nfs/dbraw/zinc/40/57/68/535405768.db2.gz ISNOPZHSIWHQAA-QPUJVOFHSA-N -1 3 319.232 3.264 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])[C@@H]1C=CCCC1 ZINC000731845053 574560292 /nfs/dbraw/zinc/56/02/92/574560292.db2.gz PSAXYCBCXSGCTE-CQSZACIVSA-N -1 3 309.793 3.129 20 10 DGCDHM COc1ccc(CC[C@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000731871128 574560685 /nfs/dbraw/zinc/56/06/85/574560685.db2.gz DPZKYMZUOHAHLI-NSHDSACASA-N -1 3 305.399 3.213 20 10 DGCDHM CC1(C)Cc2nc(NC(=O)c3cc([O-])cs3)sc2C(=O)C1 ZINC000731869030 574561516 /nfs/dbraw/zinc/56/15/16/574561516.db2.gz IQSABQNXFVJRON-UHFFFAOYSA-N -1 3 322.411 3.318 20 10 DGCDHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1F ZINC000731910250 574561787 /nfs/dbraw/zinc/56/17/87/574561787.db2.gz QGNNVPFGKUOYPM-SECBINFHSA-N -1 3 323.345 3.085 20 10 DGCDHM COc1ccccc1[C@@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732285156 574570894 /nfs/dbraw/zinc/57/08/94/574570894.db2.gz UFWOSMFAGUBSHQ-ZDUSSCGKSA-N -1 3 303.383 3.440 20 10 DGCDHM CCOc1cc2c(cc1NC(=O)c1cc([O-])cs1)O[C@@H](C)C2 ZINC000732266532 574569542 /nfs/dbraw/zinc/56/95/42/574569542.db2.gz FSNMFKFVMMZSOK-VIFPVBQESA-N -1 3 319.382 3.428 20 10 DGCDHM O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cc([O-])cs1 ZINC000732274015 574569996 /nfs/dbraw/zinc/56/99/96/574569996.db2.gz NUWHZYUAMXCPFW-UHFFFAOYSA-N -1 3 303.318 3.031 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000732279376 574570336 /nfs/dbraw/zinc/57/03/36/574570336.db2.gz JYKKMEQWNQAAEZ-UHFFFAOYSA-N -1 3 322.817 3.070 20 10 DGCDHM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cc([O-])cs1 ZINC000732282532 574570444 /nfs/dbraw/zinc/57/04/44/574570444.db2.gz PVGKELFEIGTALO-UKRRQHHQSA-N -1 3 303.383 3.104 20 10 DGCDHM O=C(NCC1(c2ccc(F)cc2)CCC1)c1cc([O-])cs1 ZINC000732281602 574570457 /nfs/dbraw/zinc/57/04/57/574570457.db2.gz SGSZHOAHYNWOKT-UHFFFAOYSA-N -1 3 305.374 3.445 20 10 DGCDHM O=C(OCc1cn2cc(Cl)ccc2n1)c1cc([O-])cs1 ZINC000732353305 574572078 /nfs/dbraw/zinc/57/20/78/574572078.db2.gz FJVPWRIZPXKQFU-UHFFFAOYSA-N -1 3 308.746 3.112 20 10 DGCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1nc(-c2cccs2)no1 ZINC000732352769 574572149 /nfs/dbraw/zinc/57/21/49/574572149.db2.gz GKSKFBRORBQRDW-ZETCQYMHSA-N -1 3 322.367 3.483 20 10 DGCDHM Cn1c(COC(=O)c2cc([O-])cs2)nc2cc(Cl)ccc21 ZINC000732353718 574572201 /nfs/dbraw/zinc/57/22/01/574572201.db2.gz SPWCZRJAMSUEGK-UHFFFAOYSA-N -1 3 322.773 3.351 20 10 DGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)Oc1ccc(Cl)cc1 ZINC000743759600 575062936 /nfs/dbraw/zinc/06/29/36/575062936.db2.gz IPJUKGVAXHCQFI-VIFPVBQESA-N -1 3 311.790 3.304 20 10 DGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)c1nc2ccccc2o1 ZINC000746700925 575470717 /nfs/dbraw/zinc/47/07/17/575470717.db2.gz CSOUNOBVLVWVAF-VIFPVBQESA-N -1 3 302.355 3.128 20 10 DGCDHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000748362423 575582813 /nfs/dbraw/zinc/58/28/13/575582813.db2.gz FSLODMXZKVBSGO-LLVKDONJSA-N -1 3 305.399 3.166 20 10 DGCDHM CC[C@@H](CNC(=O)c1cc([O-])cs1)Oc1ccccc1F ZINC000748859362 575612103 /nfs/dbraw/zinc/61/21/03/575612103.db2.gz KEEISKZNQNAWDI-NSHDSACASA-N -1 3 309.362 3.180 20 10 DGCDHM CCN(CC)c1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC000749351409 575646716 /nfs/dbraw/zinc/64/67/16/575646716.db2.gz WNDALLKXQNRKGB-UHFFFAOYSA-N -1 3 306.303 3.049 20 10 DGCDHM CCCCN1CC(=O)N[C@@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000749699680 575673207 /nfs/dbraw/zinc/67/32/07/575673207.db2.gz HWFZPGSBBOJZFA-IBGZPJMESA-N -1 3 310.397 3.290 20 10 DGCDHM O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1[O-] ZINC000111493932 620724933 /nfs/dbraw/zinc/72/49/33/620724933.db2.gz BMJMDUJTMNZSSA-KXFIGUGUSA-N -1 3 305.717 3.109 20 10 DGCDHM CS[C@@H]1CCC[C@H](NC(=O)NCc2c([O-])cccc2F)C1 ZINC000919225002 620740960 /nfs/dbraw/zinc/74/09/60/620740960.db2.gz DGESIXOCSAUCJC-WDEREUQCSA-N -1 3 312.410 3.005 20 10 DGCDHM Cc1cc([O-])c(CN[C@@H](C)c2nnc3ccccn32)c(Cl)c1 ZINC000840871404 618044325 /nfs/dbraw/zinc/04/43/25/618044325.db2.gz DZZINOOFJFQRSW-NSHDSACASA-N -1 3 316.792 3.248 20 10 DGCDHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894781296 618456013 /nfs/dbraw/zinc/45/60/13/618456013.db2.gz FWIGUNZCQVZKLU-CQSZACIVSA-N -1 3 307.344 3.347 20 10 DGCDHM C[C@@H]1[C@@H](C)N(Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000775985866 618520043 /nfs/dbraw/zinc/52/00/43/618520043.db2.gz PJMCRFVZSWVEIK-NXEZZACHSA-N -1 3 303.233 3.223 20 10 DGCDHM CN(Cc1ccns1)Cc1cccc(Br)c1[O-] ZINC000895454140 618785727 /nfs/dbraw/zinc/78/57/27/618785727.db2.gz VGZYVKPPJMKANC-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC(CC2CCOCC2)C1 ZINC000895616798 618807459 /nfs/dbraw/zinc/80/74/59/618807459.db2.gz YYQPKPVXCAWOLQ-UHFFFAOYSA-N -1 3 313.800 3.433 20 10 DGCDHM CCOCc1nc(Cl)cc(NCc2c([O-])cccc2F)n1 ZINC000895833068 618839205 /nfs/dbraw/zinc/83/92/05/618839205.db2.gz SLUMMJBFGXHFIC-UHFFFAOYSA-N -1 3 311.744 3.123 20 10 DGCDHM CC(C)(C)OC(=O)c1cccc(NCc2c([O-])cccc2F)n1 ZINC000895832681 618839369 /nfs/dbraw/zinc/83/93/69/618839369.db2.gz LTKUUVLUUIWCKC-UHFFFAOYSA-N -1 3 318.348 3.494 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(Nc2ccccn2)CC1 ZINC000896193482 618884232 /nfs/dbraw/zinc/88/42/32/618884232.db2.gz XYUWPKCDVNCPGQ-UHFFFAOYSA-N -1 3 319.355 3.142 20 10 DGCDHM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1c([O-])cccc1F ZINC000928710110 619059623 /nfs/dbraw/zinc/05/96/23/619059623.db2.gz GWHPHDAMGWHXEY-ZFWWWQNUSA-N -1 3 313.319 3.363 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000928708723 619059726 /nfs/dbraw/zinc/05/97/26/619059726.db2.gz RQXOXUYFZCLQBN-BDAKNGLRSA-N -1 3 305.271 3.126 20 10 DGCDHM Cc1ccc(C(=O)Nc2nn(C(C)C)cc2Cl)c([O-])c1O ZINC000924768949 619385642 /nfs/dbraw/zinc/38/56/42/619385642.db2.gz ITKWCTSLHOFHTE-UHFFFAOYSA-N -1 3 309.753 3.089 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1nc(C2CC2)cs1 ZINC000902944578 619693148 /nfs/dbraw/zinc/69/31/48/619693148.db2.gz JONWEACXBMXEKH-UHFFFAOYSA-N -1 3 307.350 3.187 20 10 DGCDHM CC[C@H](NCc1nc(CN(C)C)cs1)c1ccc(F)cc1[O-] ZINC000903221369 619741427 /nfs/dbraw/zinc/74/14/27/619741427.db2.gz WAGBJOFBUVSSAC-AWEZNQCLSA-N -1 3 323.437 3.290 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc(C3CCC3)cs2)c([O-])c1O ZINC000769148994 620884421 /nfs/dbraw/zinc/88/44/21/620884421.db2.gz ADAJJJKNBVZBNG-UHFFFAOYSA-N -1 3 304.371 3.383 20 10 DGCDHM CC(C)c1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC000855382529 620897793 /nfs/dbraw/zinc/89/77/93/620897793.db2.gz OBZZVPZABQAGGF-UHFFFAOYSA-N -1 3 311.381 3.420 20 10 DGCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1c(C)noc1C ZINC000921672078 620930800 /nfs/dbraw/zinc/93/08/00/620930800.db2.gz ROWVGVYLEWDSCP-CYBMUJFWSA-N -1 3 321.352 3.087 20 10 DGCDHM CCc1cnccc1[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000921789696 620950072 /nfs/dbraw/zinc/95/00/72/620950072.db2.gz XMDCNZWNRFXWRY-NSHDSACASA-N -1 3 317.364 3.049 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1nc2c(s1)CCC2 ZINC000922471589 621042871 /nfs/dbraw/zinc/04/28/71/621042871.db2.gz WVFRTKHEBBGODO-UHFFFAOYSA-N -1 3 312.797 3.420 20 10 DGCDHM CC[C@H](CNC(=O)NCc1c([O-])cccc1F)CC(F)(F)F ZINC000922888170 621115077 /nfs/dbraw/zinc/11/50/77/621115077.db2.gz IHSWPTYSOYKRBZ-VIFPVBQESA-N -1 3 322.302 3.309 20 10 DGCDHM Cn1cc([C@H](NCc2cc(Cl)ccc2[O-])C(F)(F)F)cn1 ZINC000858164740 621160517 /nfs/dbraw/zinc/16/05/17/621160517.db2.gz WXKDFHZRWWDZDL-LBPRGKRZSA-N -1 3 319.714 3.172 20 10 DGCDHM CCn1ccnc1[C@@H](C)NCc1c([O-])cccc1Br ZINC000858172119 621160905 /nfs/dbraw/zinc/16/09/05/621160905.db2.gz KLCYEDFOSUWJSG-SNVBAGLBSA-N -1 3 324.222 3.222 20 10 DGCDHM C[C@@H]1CCN(Cc2c([O-])cccc2Br)C[C@@H]1F ZINC000862302135 621573108 /nfs/dbraw/zinc/57/31/08/621573108.db2.gz XFJZYEUWWDZTCH-SKDRFNHKSA-N -1 3 302.187 3.335 20 10 DGCDHM Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570316 621650069 /nfs/dbraw/zinc/65/00/69/621650069.db2.gz AMIYDXSZHNHNQK-DTWKUNHWSA-N -1 3 305.334 3.317 20 10 DGCDHM C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000756672545 621657815 /nfs/dbraw/zinc/65/78/15/621657815.db2.gz PXQFYRFIYBDTQC-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM C[C@H](Nc1cccc2c1oc(=O)n2C)c1ccc(F)cc1[O-] ZINC000756856484 621668547 /nfs/dbraw/zinc/66/85/47/621668547.db2.gz QSKDPIDKQBTYHB-VIFPVBQESA-N -1 3 302.305 3.149 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccn(-c2ncccc2F)n1 ZINC000758634203 621792684 /nfs/dbraw/zinc/79/26/84/621792684.db2.gz SRGIXNBBINELHO-UHFFFAOYSA-N -1 3 318.739 3.378 20 10 DGCDHM CN(C)c1ccc(CN(C)C(=O)c2cc([O-])ccc2Cl)cc1 ZINC000763998017 622173955 /nfs/dbraw/zinc/17/39/55/622173955.db2.gz RXSGLBGZPSSRMO-UHFFFAOYSA-N -1 3 318.804 3.384 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000789768422 625564032 /nfs/dbraw/zinc/56/40/32/625564032.db2.gz GZJKQVKQHLORRT-CQSZACIVSA-N -1 3 322.767 3.233 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCc3cccc(F)c3C2)c1[O-] ZINC000767776826 622421467 /nfs/dbraw/zinc/42/14/67/622421467.db2.gz XXKONEORIXKHPY-UHFFFAOYSA-N -1 3 317.335 3.431 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000769495449 622533951 /nfs/dbraw/zinc/53/39/51/622533951.db2.gz FTMWOYNESIEADB-UFBFGSQYSA-N -1 3 309.715 3.197 20 10 DGCDHM CCC(CC)(CNC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000871263635 622581659 /nfs/dbraw/zinc/58/16/59/622581659.db2.gz WUZCSDFICDESLT-UHFFFAOYSA-N -1 3 305.296 3.196 20 10 DGCDHM Cc1ccc(C(=O)Nc2cnn(C)c2-c2ccccc2)c([O-])c1O ZINC000805457079 622848672 /nfs/dbraw/zinc/84/86/72/622848672.db2.gz QTVWMYADLOMXHK-UHFFFAOYSA-N -1 3 323.352 3.059 20 10 DGCDHM COCc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000774483620 623151280 /nfs/dbraw/zinc/15/12/80/623151280.db2.gz GVBCMVPWKPVXQC-GFCCVEGCSA-N -1 3 315.369 3.498 20 10 DGCDHM CN(Cc1c(F)cccc1Cl)C(=O)c1cccc(O)c1[O-] ZINC000790466455 625656767 /nfs/dbraw/zinc/65/67/67/625656767.db2.gz ONIGUHQUJHSOCB-UHFFFAOYSA-N -1 3 309.724 3.163 20 10 DGCDHM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790538231 625668292 /nfs/dbraw/zinc/66/82/92/625668292.db2.gz FMFXVARYWHSPGE-LBPRGKRZSA-N -1 3 315.369 3.376 20 10 DGCDHM O=C(Nc1ccc(Br)cc1)c1cccc(O)c1[O-] ZINC000126172044 623715812 /nfs/dbraw/zinc/71/58/12/623715812.db2.gz QYNSLDKJMDZARQ-UHFFFAOYSA-N -1 3 308.131 3.113 20 10 DGCDHM Cc1ccc2nc(NC(=O)c3cccc(O)c3[O-])sc2c1 ZINC000126203846 623734018 /nfs/dbraw/zinc/73/40/18/623734018.db2.gz KJQGIGZQRSXHTI-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM [O-]c1c(CN[C@@H]2CCOc3ccc(F)cc32)ccc(F)c1F ZINC000877008955 623765257 /nfs/dbraw/zinc/76/52/57/623765257.db2.gz ZCHRTMAMYGMQEH-CYBMUJFWSA-N -1 3 309.287 3.423 20 10 DGCDHM O=C(NC1(Cc2ccccc2)CCCC1)c1cccc(O)c1[O-] ZINC000779650101 623784693 /nfs/dbraw/zinc/78/46/93/623784693.db2.gz UYCGSPIBSPAZNO-UHFFFAOYSA-N -1 3 311.381 3.383 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@H]3CCCN3c3ccccc32)c([O-])c1O ZINC000780937842 624000822 /nfs/dbraw/zinc/00/08/22/624000822.db2.gz GVFUICNCQPJNKW-CYBMUJFWSA-N -1 3 324.380 3.035 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCSC[C@@H]2C)c1 ZINC000781907897 624169574 /nfs/dbraw/zinc/16/95/74/624169574.db2.gz HEXBMYAEHSWMPK-JTQLQIEISA-N -1 3 316.264 3.400 20 10 DGCDHM O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000790874334 625710866 /nfs/dbraw/zinc/71/08/66/625710866.db2.gz COXKDKFASWNREZ-UWVGGRQHSA-N -1 3 317.307 3.196 20 10 DGCDHM NC(=O)c1ccc(Cl)c(NCc2c([O-])cccc2Cl)c1 ZINC000127259444 624331943 /nfs/dbraw/zinc/33/19/43/624331943.db2.gz JCIOFYVBIIVIOU-UHFFFAOYSA-N -1 3 311.168 3.410 20 10 DGCDHM COc1cc(C)cc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000787648886 625028476 /nfs/dbraw/zinc/02/84/76/625028476.db2.gz HWTWCLADRKIRIQ-UHFFFAOYSA-N -1 3 301.342 3.284 20 10 DGCDHM COc1cccc2c1OCC[C@@H]2NCc1cc(F)cc(F)c1[O-] ZINC000882996872 625890766 /nfs/dbraw/zinc/89/07/66/625890766.db2.gz LWHMCRPDQXTNON-AWEZNQCLSA-N -1 3 321.323 3.292 20 10 DGCDHM CC[C@]1(CO)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179717 625920542 /nfs/dbraw/zinc/92/05/42/625920542.db2.gz LMGYXDMHDZYDCV-HNNXBMFYSA-N -1 3 301.789 3.169 20 10 DGCDHM CC[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801663 627206160 /nfs/dbraw/zinc/20/61/60/627206160.db2.gz QPAGPQJEZANUCE-PWSUYJOCSA-N -1 3 311.731 3.400 20 10 DGCDHM CC1(C)CN(Cc2cc(F)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000814176618 627546707 /nfs/dbraw/zinc/54/67/07/627546707.db2.gz SJMCIMHPZCNIPY-GFCCVEGCSA-N -1 3 307.287 3.073 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816516088 627800264 /nfs/dbraw/zinc/80/02/64/627800264.db2.gz UWHJYFFDLHMLBB-UHFFFAOYSA-N -1 3 315.772 3.102 20 10 DGCDHM CC(C)Cn1ccnc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816563126 627808457 /nfs/dbraw/zinc/80/84/57/627808457.db2.gz LFSXTKICJPNMPO-UHFFFAOYSA-N -1 3 311.788 3.327 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](OC(F)F)C1 ZINC000816566344 627809154 /nfs/dbraw/zinc/80/91/54/627809154.db2.gz RTOUVSNTLRCJPW-VIFPVBQESA-N -1 3 309.715 3.388 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000816616887 627815447 /nfs/dbraw/zinc/81/54/47/627815447.db2.gz IQMUPPGCPWAPBY-ZDUSSCGKSA-N -1 3 313.800 3.433 20 10 DGCDHM CC(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1[O-] ZINC000816890377 627837247 /nfs/dbraw/zinc/83/72/47/627837247.db2.gz INSLTCPEAGMJRE-UHFFFAOYSA-N -1 3 324.380 3.447 20 10 DGCDHM Cc1cnc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000926958392 627990153 /nfs/dbraw/zinc/99/01/53/627990153.db2.gz DEKWEBDYAQQVOD-GFCCVEGCSA-N -1 3 301.346 3.163 20 10 DGCDHM C[C@H](OC1CCCCCC1)C(=O)NCc1c([O-])cccc1F ZINC000928705192 628179230 /nfs/dbraw/zinc/17/92/30/628179230.db2.gz HAMKFIWGNIHUDX-LBPRGKRZSA-N -1 3 309.381 3.275 20 10 DGCDHM O=C(CCC[C@@H](O)c1ccccc1)NCc1c([O-])cccc1F ZINC000928706980 628179671 /nfs/dbraw/zinc/17/96/71/628179671.db2.gz ZEMGKRJKJCPRHU-MRXNPFEDSA-N -1 3 317.360 3.051 20 10 DGCDHM CCC[C@H](C(=O)NCc1c([O-])cccc1F)c1ccccn1 ZINC000928709228 628180119 /nfs/dbraw/zinc/18/01/19/628180119.db2.gz ZGRKDFUQEKUCKU-LBPRGKRZSA-N -1 3 302.349 3.126 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCOc2ccc(O)cc2C1 ZINC000827656249 628980414 /nfs/dbraw/zinc/98/04/14/628980414.db2.gz HROCCSRYZRFRGB-UHFFFAOYSA-N -1 3 305.761 3.146 20 10 DGCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](CC(F)(F)F)O1 ZINC000827787102 628991167 /nfs/dbraw/zinc/99/11/67/628991167.db2.gz MIOJUKQUNMDJQU-CABZTGNLSA-N -1 3 307.287 3.073 20 10 DGCDHM CN(C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21)C(=O)[O-] ZINC000828224223 629034626 /nfs/dbraw/zinc/03/46/26/629034626.db2.gz VOZMUXHFDVJRNY-AWEZNQCLSA-N -1 3 314.385 3.120 20 10 DGCDHM CN(C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21)C(=O)[O-] ZINC000828224223 629034628 /nfs/dbraw/zinc/03/46/28/629034628.db2.gz VOZMUXHFDVJRNY-AWEZNQCLSA-N -1 3 314.385 3.120 20 10 DGCDHM CN(C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2ccccc21)C(=O)[O-] ZINC000828224224 629034709 /nfs/dbraw/zinc/03/47/09/629034709.db2.gz VOZMUXHFDVJRNY-CQSZACIVSA-N -1 3 314.385 3.120 20 10 DGCDHM CN(C[C@H]1CCC[N@H+]1Cc1c([O-])ccc2ccccc21)C(=O)[O-] ZINC000828224224 629034713 /nfs/dbraw/zinc/03/47/13/629034713.db2.gz VOZMUXHFDVJRNY-CQSZACIVSA-N -1 3 314.385 3.120 20 10 DGCDHM C[C@@H](NCc1nn(C)cc1Cl)c1cc(Cl)ccc1[O-] ZINC000834881872 629796139 /nfs/dbraw/zinc/79/61/39/629796139.db2.gz CRYLXSXPSDQZLE-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(Cl)ccc1[O-])N2 ZINC000102418313 630104547 /nfs/dbraw/zinc/10/45/47/630104547.db2.gz AIACIUAWQDZXCH-OAHLLOKOSA-N -1 3 318.760 3.251 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000840918675 630378268 /nfs/dbraw/zinc/37/82/68/630378268.db2.gz YAMQQQHDMJZUNE-LBPRGKRZSA-N -1 3 309.715 3.117 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840959647 630386417 /nfs/dbraw/zinc/38/64/17/630386417.db2.gz ZFBSDZUIIRGGOB-BBRMVZONSA-N -1 3 321.779 3.493 20 10 DGCDHM COc1c([O-])c(CNc2n[nH]c(C(C)C)c2C)ccc1[N+](=O)[O-] ZINC000843426215 630656950 /nfs/dbraw/zinc/65/69/50/630656950.db2.gz KZNBKQOBBYQZNO-UHFFFAOYSA-N -1 3 320.349 3.076 20 10 DGCDHM CC1(C)CCC[C@@H]1[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844033595 630707387 /nfs/dbraw/zinc/70/73/87/630707387.db2.gz PTWGKVAKJZDJHL-GXTWGEPZSA-N -1 3 303.402 3.386 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C(C)=O)CC2)c1[O-] ZINC000846949884 631362759 /nfs/dbraw/zinc/36/27/59/631362759.db2.gz GELZYBDRHVMLGZ-UHFFFAOYSA-N -1 3 309.793 3.049 20 10 DGCDHM COC(=O)CN(CCCCCF)Cc1cc(Cl)ccc1[O-] ZINC000792869260 660990292 /nfs/dbraw/zinc/99/02/92/660990292.db2.gz BAVKXCUQOUDVBF-UHFFFAOYSA-N -1 3 317.788 3.160 20 10 DGCDHM CC[C@@](C)(NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000933502332 655716763 /nfs/dbraw/zinc/71/67/63/655716763.db2.gz PZCLKCZYXLBGCS-GFCCVEGCSA-N -1 3 308.275 3.062 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3ncco3)c2)c([O-])c1O ZINC000182901171 656109145 /nfs/dbraw/zinc/10/91/45/656109145.db2.gz XJKDWYFPNMOEKK-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM COCC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000320779531 657842905 /nfs/dbraw/zinc/84/29/05/657842905.db2.gz VCTQKJCPVUZLTA-NSHDSACASA-N -1 3 318.348 3.289 20 10 DGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C ZINC000156505584 658925311 /nfs/dbraw/zinc/92/53/11/658925311.db2.gz WRIACFLGUTVOQB-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM C[C@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(F)cc1[O-] ZINC000170789144 659237269 /nfs/dbraw/zinc/23/72/69/659237269.db2.gz NIGUAWNZCTWVJJ-UWVGGRQHSA-N -1 3 316.332 3.424 20 10 DGCDHM Cc1ccc(C(=O)Nc2cnccc2OC(C)(C)C)c([O-])c1O ZINC000182893252 660087315 /nfs/dbraw/zinc/08/73/15/660087315.db2.gz TVHJFESDIAXQLR-UHFFFAOYSA-N -1 3 316.357 3.231 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(C2CC2)ccn1 ZINC000931496376 661482446 /nfs/dbraw/zinc/48/24/46/661482446.db2.gz DFSLTGWCYWKEPW-UHFFFAOYSA-N -1 3 301.321 3.125 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccc(F)cc1F)C1CC1 ZINC000188150146 661918282 /nfs/dbraw/zinc/91/82/82/661918282.db2.gz MKHHEEBAGWKOQJ-UHFFFAOYSA-N -1 3 319.307 3.181 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000189424620 661977922 /nfs/dbraw/zinc/97/79/22/661977922.db2.gz QBYBAHLJYVCKLW-UHFFFAOYSA-N -1 3 309.362 3.203 20 10 DGCDHM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000192975735 662118764 /nfs/dbraw/zinc/11/87/64/662118764.db2.gz AVPOMQKEUWYTOD-GFCCVEGCSA-N -1 3 315.369 3.376 20 10 DGCDHM Fc1ccc(-c2nnn[n-]2)c(Sc2ncc(Cl)s2)c1 ZINC001581853198 1192079082 /nfs/dbraw/zinc/07/90/82/1192079082.db2.gz GRGOHIPTHBYZPU-UHFFFAOYSA-N -1 3 313.770 3.267 20 10 DGCDHM Fc1ccc(-c2nn[n-]n2)c(Sc2ncc(Cl)s2)c1 ZINC001581853198 1192079084 /nfs/dbraw/zinc/07/90/84/1192079084.db2.gz GRGOHIPTHBYZPU-UHFFFAOYSA-N -1 3 313.770 3.267 20 10 DGCDHM Cc1cc(OCC(=O)NCc2c([O-])cccc2F)ccc1Cl ZINC001596912213 1192710130 /nfs/dbraw/zinc/71/01/30/1192710130.db2.gz MYBOKRSMRNYOGS-UHFFFAOYSA-N -1 3 323.751 3.188 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2ccncc2s1 ZINC001596912276 1192710339 /nfs/dbraw/zinc/71/03/39/1192710339.db2.gz NNUAUNABRLBYKU-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM Cc1ccc2cccc(C(=O)NCc3c([O-])cccc3F)c2n1 ZINC001596912625 1192710408 /nfs/dbraw/zinc/71/04/08/1192710408.db2.gz PXVQAEPQPLNLHD-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM O=C(CCc1cnc2ccccc2c1)NCc1c([O-])cccc1F ZINC001596913424 1192711321 /nfs/dbraw/zinc/71/13/21/1192711321.db2.gz XYIQLMPRBLKOHJ-UHFFFAOYSA-N -1 3 324.355 3.329 20 10 DGCDHM Cc1cc(N(C)C)ccc1CNCc1ccsc1C(=O)[O-] ZINC001600236022 1192816434 /nfs/dbraw/zinc/81/64/34/1192816434.db2.gz FZRWIJMHIDCSNK-UHFFFAOYSA-N -1 3 304.415 3.111 20 10 DGCDHM CCOc1ccc(C[NH2+][C@@H](CC2CCCCC2)C(=O)[O-])c([O-])c1 ZINC001605691868 1193165202 /nfs/dbraw/zinc/16/52/02/1193165202.db2.gz NLARJROZVMICCM-INIZCTEOSA-N -1 3 321.417 3.304 20 10 DGCDHM CCn1c2ccccc2nc1CNCc1cc(F)c(F)cc1[O-] ZINC001462062972 1182903318 /nfs/dbraw/zinc/90/33/18/1182903318.db2.gz MYPKAPZXDMSFKE-UHFFFAOYSA-N -1 3 317.339 3.330 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@H](CCO)c1ccccc1F ZINC001462368144 1182943743 /nfs/dbraw/zinc/94/37/43/1182943743.db2.gz GVIAJNINQUWOQP-OAHLLOKOSA-N -1 3 311.303 3.023 20 10 DGCDHM COc1ccc(O)c(CNCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001607277870 1193222040 /nfs/dbraw/zinc/22/20/40/1193222040.db2.gz YWINXODMDQSMSJ-UHFFFAOYSA-N -1 3 321.760 3.042 20 10 DGCDHM Cc1cn(CC(=O)NCc2c([O-])cccc2F)c2ccccc12 ZINC001471974771 1183603731 /nfs/dbraw/zinc/60/37/31/1183603731.db2.gz JOYDLJHJSOYUBM-UHFFFAOYSA-N -1 3 312.344 3.111 20 10 DGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c2ncccc12 ZINC001471975888 1183604436 /nfs/dbraw/zinc/60/44/36/1183604436.db2.gz LKBWETSIVNGXIF-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM O=C(N[C@H]1C[C@H](c2ccc(F)cc2F)C1)c1cccc(O)c1[O-] ZINC001472079042 1183614331 /nfs/dbraw/zinc/61/43/31/1183614331.db2.gz YVMJCOPIDJHUSO-HOMQSWHASA-N -1 3 319.307 3.052 20 10 DGCDHM C[C@@H](N[C@@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774827 1193355083 /nfs/dbraw/zinc/35/50/83/1193355083.db2.gz CAAXWAVOIHIBMT-BDJLRTHQSA-N -1 3 313.353 3.013 20 10 DGCDHM CCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001610041826 1193373160 /nfs/dbraw/zinc/37/31/60/1193373160.db2.gz DWSFOFQIOYOVBH-LBPRGKRZSA-N -1 3 315.369 3.340 20 10 DGCDHM Cc1ccc(OCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001610510923 1193394539 /nfs/dbraw/zinc/39/45/39/1193394539.db2.gz JUIBBVCDYKBASS-ZDUSSCGKSA-N -1 3 315.369 3.128 20 10 DGCDHM Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610574814 1193399455 /nfs/dbraw/zinc/39/94/55/1193399455.db2.gz HZFBHKFJSAUEDR-ZJUUUORDSA-N -1 3 318.373 3.150 20 10 DGCDHM CC(C)N(Cc1cccc(F)c1)C(=O)c1cccc(O)c1[O-] ZINC001542287394 1188281551 /nfs/dbraw/zinc/28/15/51/1188281551.db2.gz VQRMHWMDGVLCJB-UHFFFAOYSA-N -1 3 303.333 3.288 20 10 DGCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1nc2ccccc2n1C ZINC001560348917 1189316091 /nfs/dbraw/zinc/31/60/91/1189316091.db2.gz QPCFHCWFUZAZLQ-JTQLQIEISA-N -1 3 317.339 3.408 20 10 DGCDHM COC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001560355358 1189317269 /nfs/dbraw/zinc/31/72/69/1189317269.db2.gz WXABIEGASYSUFU-HNNXBMFYSA-N -1 3 311.303 3.287 20 10 DGCDHM Cc1cc([O-])c(CN2CCC[C@H]2C(=O)OC(C)C)cc1Cl ZINC001560645800 1189354693 /nfs/dbraw/zinc/35/46/93/1189354693.db2.gz FHRQMIHBJNRALK-AWEZNQCLSA-N -1 3 311.809 3.270 20 10 DGCDHM CC(C)c1ncc(CN(C)Cc2cc(F)c(F)cc2[O-])cn1 ZINC001560778408 1189380384 /nfs/dbraw/zinc/38/03/84/1189380384.db2.gz IKVLRCICSTXTFS-UHFFFAOYSA-N -1 3 307.344 3.216 20 10 DGCDHM Cn1ccc2c1cccc2NC(=O)NCc1c([O-])cccc1F ZINC001562309849 1189479525 /nfs/dbraw/zinc/47/95/25/1189479525.db2.gz WUUXUWHAXXIBLW-UHFFFAOYSA-N -1 3 313.332 3.345 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC[C@@H]1C1CC1 ZINC001564921808 1189606354 /nfs/dbraw/zinc/60/63/54/1189606354.db2.gz MCLMPUHCDXXVMJ-QWHCGFSZSA-N -1 3 306.381 3.157 20 10 DGCDHM CN(Cc1cc(Cl)cn1C)Cc1cc(F)c(F)cc1[O-] ZINC001621135738 1193807196 /nfs/dbraw/zinc/80/71/96/1193807196.db2.gz WGDSJEGHRXKFKF-UHFFFAOYSA-N -1 3 300.736 3.294 20 10 DGCDHM O=C(NCC1(c2ccccc2)CCCC1)c1cccc(O)c1[O-] ZINC001623700013 1193945559 /nfs/dbraw/zinc/94/55/59/1193945559.db2.gz ZGHCLBJCAKKENT-UHFFFAOYSA-N -1 3 311.381 3.340 20 10 DGCDHM Cc1[nH]nc(NC(=O)c2ccc(C)c(O)c2[O-])c1-c1ccccc1 ZINC001649199314 1194008055 /nfs/dbraw/zinc/00/80/55/1194008055.db2.gz UCRUIEOYFJZZEO-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1C ZINC001631093336 1194319558 /nfs/dbraw/zinc/31/95/58/1194319558.db2.gz FBUFMDUFHFGYJJ-UHFFFAOYSA-N -1 3 301.342 3.447 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2ccccc2)no1 ZINC001635361003 1194546711 /nfs/dbraw/zinc/54/67/11/1194546711.db2.gz WEOHQYKNAMVRGG-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM CC[C@H]1CCCC[C@@H]1OCC(=O)NCc1c([O-])cccc1F ZINC001635361152 1194546740 /nfs/dbraw/zinc/54/67/40/1194546740.db2.gz YDANCAUJDKDJGP-LRDDRELGSA-N -1 3 309.381 3.133 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc2ncsc2c1 ZINC001638858016 1194741571 /nfs/dbraw/zinc/74/15/71/1194741571.db2.gz CZTRXWARWUHFGW-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM CC(C)(C)CCC1(O)CC(C(=O)NCc2c([O-])cccc2F)C1 ZINC001645048103 1195152787 /nfs/dbraw/zinc/15/27/87/1195152787.db2.gz GWEIXNBXRXTSGB-UHFFFAOYSA-N -1 3 323.408 3.115 20 10 DGCDHM O=C(CCc1cccc(F)c1F)NCc1c([O-])cccc1F ZINC001652295863 1195576467 /nfs/dbraw/zinc/57/64/67/1195576467.db2.gz TYHDKEHKHZZALU-UHFFFAOYSA-N -1 3 309.287 3.059 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCc2cc(F)ccc21 ZINC001652298266 1195576777 /nfs/dbraw/zinc/57/67/77/1195576777.db2.gz HWXQYPQZPYPGPE-ZDUSSCGKSA-N -1 3 303.308 3.017 20 10 DGCDHM C[C@H](CC(=O)NCc1c([O-])cccc1F)C(=O)c1ccccc1 ZINC001652297934 1195576850 /nfs/dbraw/zinc/57/68/50/1195576850.db2.gz CCCUAJDKBWOXAP-GFCCVEGCSA-N -1 3 315.344 3.057 20 10 DGCDHM CC[C@@H](Oc1ccccc1F)C(=O)NCc1c([O-])cccc1F ZINC001652295699 1195577509 /nfs/dbraw/zinc/57/75/09/1195577509.db2.gz PSBBVLSSSBSAMB-OAHLLOKOSA-N -1 3 321.323 3.144 20 10 DGCDHM O=C(NC1CC1)c1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001657508767 1196149281 /nfs/dbraw/zinc/14/92/81/1196149281.db2.gz ZFBYRYURQFQKER-UHFFFAOYSA-N -1 3 318.323 3.175 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1cccc2c1OCC[C@@H]2O ZINC001657681706 1196169058 /nfs/dbraw/zinc/16/90/58/1196169058.db2.gz FTOCEPYUPCBARH-AWEZNQCLSA-N -1 3 305.761 3.474 20 10 DGCDHM CCOC(=O)COc1cccc(NCc2cccc(F)c2[O-])c1 ZINC001658795913 1196302981 /nfs/dbraw/zinc/30/29/81/1196302981.db2.gz SZXDVKRDANSFOG-UHFFFAOYSA-N -1 3 319.332 3.085 20 10 DGCDHM COC(=O)CCc1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001659915253 1196428874 /nfs/dbraw/zinc/42/88/74/1196428874.db2.gz MZKJIMYUJYOFDN-UHFFFAOYSA-N -1 3 321.323 3.388 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1ccnn1[C@H]1CCCOC1 ZINC001660160054 1196453076 /nfs/dbraw/zinc/45/30/76/1196453076.db2.gz UIDWFFSNQCXNDW-ZDUSSCGKSA-N -1 3 307.781 3.206 20 10 DGCDHM Cc1cccc(C)c1NC(=O)CNCc1cc(F)cc(F)c1[O-] ZINC001660842989 1196534012 /nfs/dbraw/zinc/53/40/12/1196534012.db2.gz WLDWWBAXBAXHAK-UHFFFAOYSA-N -1 3 320.339 3.016 20 10 DGCDHM Cc1noc([C@@H](NCc2cc(Cl)c(F)cc2[O-])C(C)C)n1 ZINC001660951259 1196545062 /nfs/dbraw/zinc/54/50/62/1196545062.db2.gz BYFWWWMYMBHZMH-ZDUSSCGKSA-N -1 3 313.760 3.363 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNCc1nc(-c2ccccc2)no1 ZINC001664205648 1196980217 /nfs/dbraw/zinc/98/02/17/1196980217.db2.gz WLXAWTPBYPKGRJ-UHFFFAOYSA-N -1 3 315.760 3.385 20 10 DGCDHM COc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001665989047 1197224680 /nfs/dbraw/zinc/22/46/80/1197224680.db2.gz SRPHPYMXTHBHQU-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM Cc1cccc([C@H](C)CNC(=O)NCc2c([O-])cccc2F)c1 ZINC001679567447 1198806763 /nfs/dbraw/zinc/80/67/63/1198806763.db2.gz OFFQAVKYUNTNSB-CYBMUJFWSA-N -1 3 316.376 3.443 20 10 DGCDHM COc1ccc(NC(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001679885118 1198834330 /nfs/dbraw/zinc/83/43/30/1198834330.db2.gz IWABOTQARFSZQJ-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM C[N@H+](Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccccc1[O-] ZINC001598530563 992775258 /nfs/dbraw/zinc/77/52/58/992775258.db2.gz LILKGHDJKPEEFN-UHFFFAOYSA-N -1 3 310.353 3.204 20 10 DGCDHM C[N@@H+](Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccccc1[O-] ZINC001598530563 992775264 /nfs/dbraw/zinc/77/52/64/992775264.db2.gz LILKGHDJKPEEFN-UHFFFAOYSA-N -1 3 310.353 3.204 20 10 DGCDHM C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208265 994222980 /nfs/dbraw/zinc/22/29/80/994222980.db2.gz AJEINNILGBRSTQ-DIFFPNOSSA-N -1 3 312.369 3.287 20 10 DGCDHM C[C@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232918 994388268 /nfs/dbraw/zinc/38/82/68/994388268.db2.gz QAWGULMUHHHGGB-JQWIXIFHSA-N -1 3 309.431 3.415 20 10 DGCDHM C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265846 994575520 /nfs/dbraw/zinc/57/55/20/994575520.db2.gz YIVYMZUOOYFPOY-OCCSQVGLSA-N -1 3 319.401 3.233 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@](O)(CF)CC1 ZINC001237077419 1099959456 /nfs/dbraw/zinc/95/94/56/1099959456.db2.gz HOBXDBWUFRSKBJ-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM CCOC(=O)CCN(C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237083042 1099961424 /nfs/dbraw/zinc/96/14/24/1099961424.db2.gz XEUAKQYBSWJVJT-UHFFFAOYSA-N -1 3 306.189 3.084 20 10 DGCDHM CN(Cc1cccc(O)c1)Cc1c([O-])cccc1Br ZINC001140098920 1081838004 /nfs/dbraw/zinc/83/80/04/1081838004.db2.gz SPTGHVJKHPFYGK-UHFFFAOYSA-N -1 3 322.202 3.492 20 10 DGCDHM NC(=O)N1CCc2ccc(NCc3ccc(Cl)cc3[O-])cc21 ZINC001181361167 1083454222 /nfs/dbraw/zinc/45/42/22/1083454222.db2.gz NAPWUAFKCDHKNN-UHFFFAOYSA-N -1 3 317.776 3.099 20 10 DGCDHM [O-]c1c(CN2CC[C@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363826 1083927378 /nfs/dbraw/zinc/92/73/78/1083927378.db2.gz NRHZPLXDUKMLOF-AWEZNQCLSA-N -1 3 323.314 3.463 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(C)c3ncccc3C2)c(Cl)c1 ZINC001183483561 1083956498 /nfs/dbraw/zinc/95/64/98/1083956498.db2.gz YTDVVPASLYRLSF-UHFFFAOYSA-N -1 3 317.820 3.201 20 10 DGCDHM COC[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001184277679 1084148778 /nfs/dbraw/zinc/14/87/78/1084148778.db2.gz LRGJGVFSBRPVIZ-CQSZACIVSA-N -1 3 311.303 3.287 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])c1[O-] ZINC001610462642 1126239303 /nfs/dbraw/zinc/23/93/03/1126239303.db2.gz PLDMLGDXDXYYFJ-OAHLLOKOSA-N -1 3 319.788 3.140 20 10 DGCDHM C/C(=C\C(=O)NCc1c([O-])cccc1F)c1cccc(F)c1 ZINC001156171237 1089416705 /nfs/dbraw/zinc/41/67/05/1089416705.db2.gz YOXHRFKJDCYAMG-DHZHZOJOSA-N -1 3 303.308 3.390 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@](C)(F)[C@H](F)C2)c(Cl)c1 ZINC001236800084 1089909309 /nfs/dbraw/zinc/90/93/09/1089909309.db2.gz WROAASVGRUIXHC-KGLIPLIRSA-N -1 3 305.752 3.326 20 10 DGCDHM C[C@@H](c1ccccc1)n1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001162838815 1089985415 /nfs/dbraw/zinc/98/54/15/1089985415.db2.gz GDVMWNBLWYQKMA-LBPRGKRZSA-N -1 3 323.352 3.156 20 10 DGCDHM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)ccc1[O-] ZINC001203664856 1090775179 /nfs/dbraw/zinc/77/51/79/1090775179.db2.gz ZYWCKNBJEBMFEG-PJODQICGSA-N -1 3 323.820 3.209 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001203664752 1090775278 /nfs/dbraw/zinc/77/52/78/1090775278.db2.gz UUSOMVLPIVUYIY-QGZVFWFLSA-N -1 3 317.816 3.489 20 10 DGCDHM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC001203665856 1090775313 /nfs/dbraw/zinc/77/53/13/1090775313.db2.gz YHKXCYHWAKYMAG-UHFFFAOYSA-N -1 3 312.797 3.056 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN(Cc1cocn1)Cc1cocn1 ZINC001203664835 1090775724 /nfs/dbraw/zinc/77/57/24/1090775724.db2.gz YKFQDPCRUJNQQE-UHFFFAOYSA-N -1 3 319.748 3.224 20 10 DGCDHM O=C([N-]c1c2nonc2ccc1Cl)c1nccc2occc21 ZINC001128604298 1091072058 /nfs/dbraw/zinc/07/20/58/1091072058.db2.gz UJDQUPIUIPQBEQ-UHFFFAOYSA-N -1 3 314.688 3.270 20 10 DGCDHM CN(CCCC(=O)c1cccnc1)Cc1c([O-])cccc1F ZINC001137838461 1091213947 /nfs/dbraw/zinc/21/39/47/1091213947.db2.gz APDXXXMBVJHOGT-UHFFFAOYSA-N -1 3 302.349 3.021 20 10 DGCDHM Cc1ccc2c(c1)nc(CNCc1ccc(F)c(F)c1[O-])n2C ZINC001205478157 1091231074 /nfs/dbraw/zinc/23/10/74/1091231074.db2.gz VVUFQQGFZZBEIH-UHFFFAOYSA-N -1 3 317.339 3.155 20 10 DGCDHM CN(C(N)=O)c1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001205608328 1091277856 /nfs/dbraw/zinc/27/78/56/1091277856.db2.gz BTYHMLLEBBFUQC-UHFFFAOYSA-N -1 3 305.765 3.173 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001139688863 1091643180 /nfs/dbraw/zinc/64/31/80/1091643180.db2.gz CAMOIBNTPRNNKO-CYBMUJFWSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](c2ccccn2)C1 ZINC001140341432 1091835995 /nfs/dbraw/zinc/83/59/95/1091835995.db2.gz NMRYTUPHUWICTB-INIZCTEOSA-N -1 3 304.777 3.014 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCOC[C@@H]1c1cccnc1 ZINC001140464608 1091875961 /nfs/dbraw/zinc/87/59/61/1091875961.db2.gz WUZCYXXMFAGTHS-OAHLLOKOSA-N -1 3 304.777 3.014 20 10 DGCDHM COC(=O)c1ccc2c(c1)CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140464669 1091876612 /nfs/dbraw/zinc/87/66/12/1091876612.db2.gz ZIHNSMCPLFKOPV-UHFFFAOYSA-N -1 3 317.772 3.348 20 10 DGCDHM COC(=O)CN(Cc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001140465234 1091877306 /nfs/dbraw/zinc/87/73/06/1091877306.db2.gz JDBLKQAYXDHBFI-UHFFFAOYSA-N -1 3 319.788 3.221 20 10 DGCDHM COc1cc(Cl)cc(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145907 1093926764 /nfs/dbraw/zinc/92/67/64/1093926764.db2.gz QJJOKCZPNBQGNZ-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM COc1cc(-c2noc(-c3cccc(O)c3[O-])n2)ccc1Cl ZINC001215145979 1093927240 /nfs/dbraw/zinc/92/72/40/1093927240.db2.gz VJOPMUAXLHOQSK-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM Cc1c(Cl)cccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325480 1093960276 /nfs/dbraw/zinc/96/02/76/1093960276.db2.gz WIXFSHVRZLWLDL-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc3c2CCCC3)no1 ZINC001215325458 1093960901 /nfs/dbraw/zinc/96/09/01/1093960901.db2.gz UUTHTYNKCMMISD-UHFFFAOYSA-N -1 3 324.336 3.399 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(Cl)ccc2F)no1 ZINC001215325402 1093960913 /nfs/dbraw/zinc/96/09/13/1093960913.db2.gz QWZFTPKWSRVNIZ-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cc(Cl)ccc3F)no2)cc1O ZINC001215327653 1093961493 /nfs/dbraw/zinc/96/14/93/1093961493.db2.gz MOCDRUQGSLEZPD-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cncc3ccccc32)no1 ZINC001215327611 1093961642 /nfs/dbraw/zinc/96/16/42/1093961642.db2.gz KTAGDIOJNGXDRH-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM CC[C@H](C)[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001217096194 1094304999 /nfs/dbraw/zinc/30/49/99/1094304999.db2.gz OVZMKZAHGBJHLK-QPUJVOFHSA-N -1 3 322.302 3.308 20 10 DGCDHM CC[C@H](C)[C@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001217096196 1094305026 /nfs/dbraw/zinc/30/50/26/1094305026.db2.gz OVZMKZAHGBJHLK-UFBFGSQYSA-N -1 3 322.302 3.308 20 10 DGCDHM CC(C)Nc1cc(F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001136875243 1095211709 /nfs/dbraw/zinc/21/17/09/1095211709.db2.gz YZCBKFLZAMWVQW-UHFFFAOYSA-N -1 3 304.321 3.310 20 10 DGCDHM [O-]c1c(F)cccc1CN1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001138127688 1095900062 /nfs/dbraw/zinc/90/00/62/1095900062.db2.gz MKFRRULKSGPQTP-CYBMUJFWSA-N -1 3 323.314 3.463 20 10 DGCDHM O=C(Nc1ccc(Cl)c2nsnc21)c1cccc(O)c1[O-] ZINC001148218878 1096327947 /nfs/dbraw/zinc/32/79/47/1096327947.db2.gz LRWDXDOUDUEIAH-UHFFFAOYSA-N -1 3 321.745 3.008 20 10 DGCDHM CO[C@@H](C)CCOc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937579 1097016093 /nfs/dbraw/zinc/01/60/93/1097016093.db2.gz MXMVPHDRASORNR-LBPRGKRZSA-N -1 3 316.353 3.133 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001231563080 1097779316 /nfs/dbraw/zinc/77/93/16/1097779316.db2.gz DTLHQSKLFYOCRH-MRXNPFEDSA-N -1 3 311.381 3.470 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001231563080 1097779319 /nfs/dbraw/zinc/77/93/19/1097779319.db2.gz DTLHQSKLFYOCRH-MRXNPFEDSA-N -1 3 311.381 3.470 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(C(=O)CC(C)C)CC2)cc1Cl ZINC001231870037 1097870260 /nfs/dbraw/zinc/87/02/60/1097870260.db2.gz GVFUGUMYOFLHPR-UHFFFAOYSA-N -1 3 324.852 3.044 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC(Oc2ccncc2)CC1 ZINC001231909615 1097887647 /nfs/dbraw/zinc/88/76/47/1097887647.db2.gz GNJGQTRFWAKBBK-UHFFFAOYSA-N -1 3 318.804 3.484 20 10 DGCDHM CN(Cc1cccc2c1OCO2)Cc1cccc(Cl)c1[O-] ZINC001231913180 1097890266 /nfs/dbraw/zinc/89/02/66/1097890266.db2.gz GXPZSWCNZUKJRM-UHFFFAOYSA-N -1 3 305.761 3.406 20 10 DGCDHM [O-]c1cc(O)c(CN2CCCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001232259534 1097984447 /nfs/dbraw/zinc/98/44/47/1097984447.db2.gz KLANRKMRQIQQMJ-LBPRGKRZSA-N -1 3 309.715 3.320 20 10 DGCDHM COc1cc([O-])c(CN2Cc3cnc(C)cc3C2)cc1Cl ZINC001232269288 1097988077 /nfs/dbraw/zinc/98/80/77/1097988077.db2.gz UZHYBTMMUJYNRM-UHFFFAOYSA-N -1 3 304.777 3.273 20 10 DGCDHM [O-]c1c(CN2CCC[C@@H](Oc3cccnc3)C2)ccc(F)c1F ZINC001233077410 1098220674 /nfs/dbraw/zinc/22/06/74/1098220674.db2.gz MQAXLQQZXUFQOO-CQSZACIVSA-N -1 3 320.339 3.109 20 10 DGCDHM CN1CCN(Cc2ccc(F)c(F)c2[O-])C[C@H]1c1ccccc1 ZINC001233077689 1098220797 /nfs/dbraw/zinc/22/07/97/1098220797.db2.gz WPSLSHNTCDAVID-INIZCTEOSA-N -1 3 318.367 3.159 20 10 DGCDHM COC(=O)c1cccc(CN(C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001233079088 1098220937 /nfs/dbraw/zinc/22/09/37/1098220937.db2.gz VFUFDGZHVAYKBD-UHFFFAOYSA-N -1 3 321.323 3.089 20 10 DGCDHM Cc1cccnc1O[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233079424 1098221105 /nfs/dbraw/zinc/22/11/05/1098221105.db2.gz BNFGAEKRLULIIB-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001233334466 1098293240 /nfs/dbraw/zinc/29/32/40/1098293240.db2.gz IECBVHPMSYCXMF-CYBMUJFWSA-N -1 3 305.324 3.324 20 10 DGCDHM CC[C@@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748938 1098660044 /nfs/dbraw/zinc/66/00/44/1098660044.db2.gz OASPIOMDZXIYQQ-MRVPVSSYSA-N -1 3 316.309 3.240 20 10 DGCDHM COc1cccc(/C(C)=C\C(=O)NCc2c([O-])cccc2F)c1 ZINC001178413462 1098827878 /nfs/dbraw/zinc/82/78/78/1098827878.db2.gz SEHSAWHAJLYUOY-XFXZXTDPSA-N -1 3 315.344 3.260 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](CF)C1 ZINC001235303332 1098951453 /nfs/dbraw/zinc/95/14/53/1098951453.db2.gz MZWLTQATXUZSQN-VIFPVBQESA-N -1 3 320.177 3.475 20 10 DGCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001179507082 1099126848 /nfs/dbraw/zinc/12/68/48/1099126848.db2.gz OIMFRTHYTKSSSE-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM COc1ccc(CN(C)Cc2ccc(C)nc2)c([O-])c1Cl ZINC001236810263 1099798597 /nfs/dbraw/zinc/79/85/97/1099798597.db2.gz QMONMHZWUHAVPB-UHFFFAOYSA-N -1 3 306.793 3.390 20 10 DGCDHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])CC(C)(C)O1 ZINC000691675489 1099921611 /nfs/dbraw/zinc/92/16/11/1099921611.db2.gz IYHWHQGKQIVYTR-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM CC(C)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237077097 1099956921 /nfs/dbraw/zinc/95/69/21/1099956921.db2.gz COPKEDXDJITTFO-UHFFFAOYSA-N -1 3 303.233 3.225 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN(CCO)Cc1ccccc1 ZINC001237119138 1099980021 /nfs/dbraw/zinc/98/00/21/1099980021.db2.gz BFLVLWSJUNEIRF-UHFFFAOYSA-N -1 3 309.768 3.179 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1Br ZINC001237681257 1100212114 /nfs/dbraw/zinc/21/21/14/1100212114.db2.gz PZWPVUGEYYYVBX-XHVZSJERSA-N -1 3 314.198 3.253 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H](C)OC[C@@H]2C)cc1Br ZINC001237683481 1100214912 /nfs/dbraw/zinc/21/49/12/1100214912.db2.gz AYFAPCCEKBXFTB-WDEREUQCSA-N -1 3 314.223 3.072 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC(n2ccnc2)CC1 ZINC001237804502 1100251543 /nfs/dbraw/zinc/25/15/43/1100251543.db2.gz DLDAYIFZWQJPGG-UHFFFAOYSA-N -1 3 309.772 3.218 20 10 DGCDHM CCOCCN(CCOCC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237798541 1100251870 /nfs/dbraw/zinc/25/18/70/1100251870.db2.gz ISNDLLODVQVKAO-UHFFFAOYSA-N -1 3 319.804 3.060 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN(CCO)Cc1cccs1 ZINC001237813073 1100255481 /nfs/dbraw/zinc/25/54/81/1100255481.db2.gz KKYMZOOGJMBJLF-UHFFFAOYSA-N -1 3 315.797 3.241 20 10 DGCDHM COc1ccncc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000688916609 1103274742 /nfs/dbraw/zinc/27/47/42/1103274742.db2.gz ZAOMACTUZPNUIZ-UHFFFAOYSA-N -1 3 313.184 3.392 20 10 DGCDHM O=C(N[C@H](c1ccc(F)cc1F)C1CC1)c1cccc(O)c1[O-] ZINC001137068243 1103951728 /nfs/dbraw/zinc/95/17/28/1103951728.db2.gz BCUGBHDPYTWREL-HNNXBMFYSA-N -1 3 319.307 3.257 20 10 DGCDHM Cc1cc(CN2CC(F)(C3CC3)C2)c([O-])cc1Br ZINC001250120515 1105445625 /nfs/dbraw/zinc/44/56/25/1105445625.db2.gz GXPNMQKDKUCHKO-UHFFFAOYSA-N -1 3 314.198 3.397 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001254512673 1106089105 /nfs/dbraw/zinc/08/91/05/1106089105.db2.gz KNYMFMOXTCWMDY-VXGBXAGGSA-N -1 3 310.309 3.125 20 10 DGCDHM O=c1[n-]c(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)ccc1F ZINC001256981390 1106520376 /nfs/dbraw/zinc/52/03/76/1106520376.db2.gz LNANQCYDTDMBCP-UHFFFAOYSA-N -1 3 322.299 3.434 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(CCCc3ccccc3)o2)cc1O ZINC001257746899 1106625742 /nfs/dbraw/zinc/62/57/42/1106625742.db2.gz LGWBOGYPTKLRAT-UHFFFAOYSA-N -1 3 312.325 3.029 20 10 DGCDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001259491231 1107150927 /nfs/dbraw/zinc/15/09/27/1107150927.db2.gz PHIJCLQJJZPDBF-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM Cc1cc([O-])c(CN2CC(C(=O)OC(C)(C)C)C2)cc1Cl ZINC001474751679 1107159834 /nfs/dbraw/zinc/15/98/34/1107159834.db2.gz PRVZKZOEOXQVFT-UHFFFAOYSA-N -1 3 311.809 3.128 20 10 DGCDHM COc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1C ZINC001260638640 1107289196 /nfs/dbraw/zinc/28/91/96/1107289196.db2.gz UWGYMLJKOYFZRH-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM C[C@@H](CC(N)=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC001474722923 1108034221 /nfs/dbraw/zinc/03/42/21/1108034221.db2.gz QTCDBDOIFYVBHS-NSHDSACASA-N -1 3 302.349 3.122 20 10 DGCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])[C@@H](C)CO1 ZINC000701194740 1108903038 /nfs/dbraw/zinc/90/30/38/1108903038.db2.gz WJGYQVMVLJUBST-GWCFXTLKSA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1nc(-c2ccncc2)nc(NCc2c([O-])cccc2F)c1C ZINC001307214441 1111279728 /nfs/dbraw/zinc/27/97/28/1111279728.db2.gz DSIKCMJARJIXQA-UHFFFAOYSA-N -1 3 324.359 3.034 20 10 DGCDHM CCOC(OCC)[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC001308558274 1111444033 /nfs/dbraw/zinc/44/40/33/1111444033.db2.gz HLCKJYYNXWKFFY-SECBINFHSA-N -1 3 305.777 3.062 20 10 DGCDHM COc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1[O-])CC2 ZINC001308590345 1111448489 /nfs/dbraw/zinc/44/84/89/1111448489.db2.gz SZTVZVYLVLZHKD-UHFFFAOYSA-N -1 3 305.324 3.237 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC001308660028 1111456720 /nfs/dbraw/zinc/45/67/20/1111456720.db2.gz JVCFKXBJLVWTER-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC001308947665 1111497679 /nfs/dbraw/zinc/49/76/79/1111497679.db2.gz OBRPNBOCXWDUEJ-GJZGRUSLSA-N -1 3 316.351 3.134 20 10 DGCDHM CC(C)(C)OC(=O)C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272238992 130011930 /nfs/dbraw/zinc/01/19/30/130011930.db2.gz GBVNJVLUNNPPLS-UHFFFAOYSA-N -1 3 309.381 3.085 20 10 DGCDHM COc1ccc(OC)c(CN[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000273400659 130117671 /nfs/dbraw/zinc/11/76/71/130117671.db2.gz MXKDTQXIKFVJSM-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM C[C@H](N[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596410 130142089 /nfs/dbraw/zinc/14/20/89/130142089.db2.gz QTDZKRZUGYDOMD-BLLLJJGKSA-N -1 3 316.357 3.075 20 10 DGCDHM CN(CCc1cnccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000273696288 130155023 /nfs/dbraw/zinc/15/50/23/130155023.db2.gz CLLAIZHLDFLASF-UHFFFAOYSA-N -1 3 312.200 3.164 20 10 DGCDHM CSCc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000285479148 131172715 /nfs/dbraw/zinc/17/27/15/131172715.db2.gz LJGGRJNDYGGSTJ-UHFFFAOYSA-N -1 3 318.398 3.453 20 10 DGCDHM CCNC(=O)[C@@H](C)N[C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887810 131254482 /nfs/dbraw/zinc/25/44/82/131254482.db2.gz ISNOPZHSIWHQAA-PRHODGIISA-N -1 3 319.232 3.264 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(OCC3CC3)CC2)c1[O-] ZINC000079472799 400868529 /nfs/dbraw/zinc/86/85/29/400868529.db2.gz PTSYXSGWTTZMFT-UHFFFAOYSA-N -1 3 321.392 3.125 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000180484529 228356755 /nfs/dbraw/zinc/35/67/55/228356755.db2.gz DRZKRONRWYLAGO-CQSZACIVSA-N -1 3 304.777 3.094 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)c([O-])c1O ZINC000184783211 228386427 /nfs/dbraw/zinc/38/64/27/228386427.db2.gz FPRJCETZCQSQOH-IAQYHMDHSA-N -1 3 312.369 3.025 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)c([O-])c1O ZINC000184783267 228386486 /nfs/dbraw/zinc/38/64/86/228386486.db2.gz FPRJCETZCQSQOH-NHYWBVRUSA-N -1 3 312.369 3.025 20 10 DGCDHM C[C@@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccccc1[O-] ZINC000109773517 431178689 /nfs/dbraw/zinc/17/86/89/431178689.db2.gz LIGRWXGZVMOQQM-HNNXBMFYSA-N -1 3 316.445 3.219 20 10 DGCDHM CCN(C(=O)[C@@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000111236473 431199621 /nfs/dbraw/zinc/19/96/21/431199621.db2.gz LQJMEKKHOCLYFE-OAHLLOKOSA-N -1 3 312.413 3.266 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCc1ccc(C2OCCO2)cc1 ZINC000114216763 431377772 /nfs/dbraw/zinc/37/77/72/431377772.db2.gz WNOLCOXAUAHKLT-UHFFFAOYSA-N -1 3 319.788 3.381 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000369129127 280208995 /nfs/dbraw/zinc/20/89/95/280208995.db2.gz BCCVDYORJDJRKI-CQSZACIVSA-N -1 3 315.344 3.084 20 10 DGCDHM Cc1noc([C@@H]2CCCN(Cc3c([O-])cccc3Cl)C2)n1 ZINC000271105413 432331345 /nfs/dbraw/zinc/33/13/45/432331345.db2.gz VLWOKDVKRYPVFR-LLVKDONJSA-N -1 3 307.781 3.117 20 10 DGCDHM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000193102431 432448519 /nfs/dbraw/zinc/44/85/19/432448519.db2.gz STXDTHJHDRYQNV-HNNXBMFYSA-N -1 3 313.397 3.500 20 10 DGCDHM CC(C)[C@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc2N1 ZINC000193108757 432449858 /nfs/dbraw/zinc/44/98/58/432449858.db2.gz TWGQKTYZCXPCTL-CQSZACIVSA-N -1 3 312.369 3.195 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000273441886 432598620 /nfs/dbraw/zinc/59/86/20/432598620.db2.gz YVKZCOOFOYYZIO-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000273465849 432602079 /nfs/dbraw/zinc/60/20/79/432602079.db2.gz IUJOVISOBYFWLL-OTYXRUKQSA-N -1 3 311.303 3.194 20 10 DGCDHM COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cc1O ZINC000187688447 432676638 /nfs/dbraw/zinc/67/66/38/432676638.db2.gz YNBMHKSULPLPKO-SECBINFHSA-N -1 3 309.312 3.235 20 10 DGCDHM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245763 432831419 /nfs/dbraw/zinc/83/14/19/432831419.db2.gz JNYMAIGDQKYOEM-KDOFPFPSSA-N -1 3 312.413 3.304 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOCc3ccccc32)c1[O-] ZINC000280296309 433030317 /nfs/dbraw/zinc/03/03/17/433030317.db2.gz FLYIERARCRXXKL-UHFFFAOYSA-N -1 3 315.344 3.271 20 10 DGCDHM O=C(c1ccc(NCc2cc(F)ccc2[O-])cc1)N1CCCC1 ZINC000280626127 433115036 /nfs/dbraw/zinc/11/50/36/433115036.db2.gz GJWLXXNSNPNFDT-UHFFFAOYSA-N -1 3 314.360 3.379 20 10 DGCDHM Cc1noc(C2(C)CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000374737562 433268247 /nfs/dbraw/zinc/26/82/47/433268247.db2.gz NRJYHZWOUAJLKG-UHFFFAOYSA-N -1 3 321.808 3.291 20 10 DGCDHM Cc1ccc(N2CCOCC2)cc1NCc1cc(F)ccc1[O-] ZINC000280881659 433211203 /nfs/dbraw/zinc/21/12/03/433211203.db2.gz CRVDSWKHUVWJBI-UHFFFAOYSA-N -1 3 316.376 3.288 20 10 DGCDHM CC(C)n1cnnc1CN(C)Cc1c([O-])ccc2ccccc21 ZINC000292098280 433459258 /nfs/dbraw/zinc/45/92/58/433459258.db2.gz OQZOBQIOJAJRAH-UHFFFAOYSA-N -1 3 310.401 3.350 20 10 DGCDHM CCCCN(Cc1ccccc1O)C(=O)c1cccc(O)c1[O-] ZINC000282438774 433611252 /nfs/dbraw/zinc/61/12/52/433611252.db2.gz HZLGJQOLPBLKJP-UHFFFAOYSA-N -1 3 315.369 3.246 20 10 DGCDHM CC(C)[C@]1(CO)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000378137489 434095128 /nfs/dbraw/zinc/09/51/28/434095128.db2.gz YZLTZZKSTNUHBI-OAHLLOKOSA-N -1 3 301.789 3.025 20 10 DGCDHM CC[C@@]1(CO)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294847135 434150005 /nfs/dbraw/zinc/15/00/05/434150005.db2.gz ZOJIDPHQUWAQSO-OAHLLOKOSA-N -1 3 301.789 3.169 20 10 DGCDHM CCn1ccnc1[C@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000370703164 434618620 /nfs/dbraw/zinc/61/86/20/434618620.db2.gz YVNJHXIWHMKFMN-OAHLLOKOSA-N -1 3 303.381 3.475 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@](O)(C2CC2)C1 ZINC000369684256 434598328 /nfs/dbraw/zinc/59/83/28/434598328.db2.gz SWSIBGLLBMQOIO-CQSZACIVSA-N -1 3 302.201 3.046 20 10 DGCDHM COc1cc(Cl)cc(CN2CCOCC3(CCC3)C2)c1[O-] ZINC000371881446 434765903 /nfs/dbraw/zinc/76/59/03/434765903.db2.gz ICLQJLRXXMQTRI-UHFFFAOYSA-N -1 3 311.809 3.057 20 10 DGCDHM CCOCCOCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000191568462 519994029 /nfs/dbraw/zinc/99/40/29/519994029.db2.gz IPNGSHXUWXRSMX-UHFFFAOYSA-N -1 3 322.232 3.184 20 10 DGCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2c2ccco2)c1[O-] ZINC000368625327 522536177 /nfs/dbraw/zinc/53/61/77/522536177.db2.gz YQUATRXZNNEZNC-CYBMUJFWSA-N -1 3 323.776 3.221 20 10 DGCDHM COCCCOC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000129111472 523383122 /nfs/dbraw/zinc/38/31/22/523383122.db2.gz HVHLZWJCRYEYJR-UHFFFAOYSA-N -1 3 313.825 3.063 20 10 DGCDHM COc1ccccc1CN(CCO)Cc1c([O-])cccc1Cl ZINC000130466221 524439532 /nfs/dbraw/zinc/43/95/32/524439532.db2.gz WFJVINBITQUZAL-UHFFFAOYSA-N -1 3 321.804 3.049 20 10 DGCDHM C[C@@H](c1ccccc1)N(Cc1ccccc1[O-])CC1OCCO1 ZINC000180217724 526088905 /nfs/dbraw/zinc/08/89/05/526088905.db2.gz RPKJHQDOBZBAJH-HNNXBMFYSA-N -1 3 313.397 3.328 20 10 DGCDHM Cc1cc(Br)cc(CN2CCCO[C@@H](C)C2)c1[O-] ZINC000124587686 526157289 /nfs/dbraw/zinc/15/72/89/526157289.db2.gz FAZXQVLMORVKFC-NSHDSACASA-N -1 3 314.223 3.074 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000152794348 527207639 /nfs/dbraw/zinc/20/76/39/527207639.db2.gz VWXZSFORUWKEPP-MLGOLLRUSA-N -1 3 323.820 3.249 20 10 DGCDHM CC[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356695 535945345 /nfs/dbraw/zinc/94/53/45/535945345.db2.gz ZMJLRWZNJAUHID-JKSUJKDBSA-N -1 3 307.340 3.445 20 10 DGCDHM Cc1ccc(CSCCNC(=O)c2cc([O-])cs2)cc1 ZINC000731864454 574560620 /nfs/dbraw/zinc/56/06/20/574560620.db2.gz VPQXCWFUMBQTHZ-UHFFFAOYSA-N -1 3 307.440 3.425 20 10 DGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc2c(c1)CCC2 ZINC000731910765 574561975 /nfs/dbraw/zinc/56/19/75/574561975.db2.gz CCMPGAMZMMJFBA-JTQLQIEISA-N -1 3 316.378 3.371 20 10 DGCDHM CCc1cccc(NC(=O)CNCc2cc(Cl)ccc2[O-])c1 ZINC000732230691 574568798 /nfs/dbraw/zinc/56/87/98/574568798.db2.gz NQJVVHRVXQUJAJ-UHFFFAOYSA-N -1 3 318.804 3.336 20 10 DGCDHM CC(C)NC(=O)Nc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732266393 574569342 /nfs/dbraw/zinc/56/93/42/574569342.db2.gz AQCLNWLCQYVPEL-UHFFFAOYSA-N -1 3 319.386 3.236 20 10 DGCDHM O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc([O-])cs1 ZINC000732275067 574569876 /nfs/dbraw/zinc/56/98/76/574569876.db2.gz RTTGQEBPAJHEBG-UHFFFAOYSA-N -1 3 303.318 3.031 20 10 DGCDHM C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732275827 574569906 /nfs/dbraw/zinc/56/99/06/574569906.db2.gz CJCQNSZZZFFSDW-OCCSQVGLSA-N -1 3 316.426 3.019 20 10 DGCDHM O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1cc([O-])cs1 ZINC000732277526 574570129 /nfs/dbraw/zinc/57/01/29/574570129.db2.gz JQWFQISGTDXCLQ-CJNGLKHVSA-N -1 3 317.410 3.351 20 10 DGCDHM CC(=O)Nc1cc(NC(=O)c2cc([O-])cs2)ccc1Cl ZINC000732277019 574570197 /nfs/dbraw/zinc/57/01/97/574570197.db2.gz AWVMDUVJXYXKPB-UHFFFAOYSA-N -1 3 310.762 3.318 20 10 DGCDHM COc1cc(CN(C)C(=O)c2cc([O-])cs2)ccc1SC ZINC000732281063 574570398 /nfs/dbraw/zinc/57/03/98/574570398.db2.gz YQQXOXCODJPLSU-UHFFFAOYSA-N -1 3 323.439 3.456 20 10 DGCDHM COc1ccc([C@@H]2CCN(C(=O)c3cc([O-])cs3)C2)cc1 ZINC000732280991 574570551 /nfs/dbraw/zinc/57/05/51/574570551.db2.gz LYSUICUIEGNZAK-GFCCVEGCSA-N -1 3 303.383 3.092 20 10 DGCDHM COc1ccc(O)c(CNC(=O)c2ccc(C(C)C)cc2[O-])c1 ZINC000734017624 574648057 /nfs/dbraw/zinc/64/80/57/574648057.db2.gz RNPXPBXCQZRZQV-UHFFFAOYSA-N -1 3 315.369 3.160 20 10 DGCDHM Cc1ccc(OC2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000735118430 574689166 /nfs/dbraw/zinc/68/91/66/574689166.db2.gz OCNMMBARUJQORQ-UHFFFAOYSA-N -1 3 317.410 3.446 20 10 DGCDHM Cc1ccccc1[C@@H]1CN(C(=O)c2cc([O-])cs2)[C@H](C)CO1 ZINC000743710840 575061802 /nfs/dbraw/zinc/06/18/02/575061802.db2.gz WKRCMZVWOROPEC-DOMZBBRYSA-N -1 3 317.410 3.364 20 10 DGCDHM CO[C@H](CNC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000743756712 575062771 /nfs/dbraw/zinc/06/27/71/575062771.db2.gz JYHRCWGDKKYJIO-GFCCVEGCSA-N -1 3 311.790 3.225 20 10 DGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)Oc1ccc(Cl)cc1 ZINC000743759599 575062933 /nfs/dbraw/zinc/06/29/33/575062933.db2.gz IPJUKGVAXHCQFI-SECBINFHSA-N -1 3 311.790 3.304 20 10 DGCDHM CCOc1ccc(CN[C@H](COC)c2ccc(C)o2)c([O-])c1 ZINC000747100321 575496442 /nfs/dbraw/zinc/49/64/42/575496442.db2.gz WRIIIAKNDUWHPK-OAHLLOKOSA-N -1 3 305.374 3.170 20 10 DGCDHM COc1ccccc1C[C@H](C)N(C)C(=O)c1cc([O-])cs1 ZINC000748362428 575583219 /nfs/dbraw/zinc/58/32/19/575583219.db2.gz FSLODMXZKVBSGO-NSHDSACASA-N -1 3 305.399 3.166 20 10 DGCDHM O=C(NCc1cccc(-c2ccccn2)c1)c1cc([O-])cs1 ZINC000749290921 575642480 /nfs/dbraw/zinc/64/24/80/575642480.db2.gz FYIOCCLIBQKRFY-UHFFFAOYSA-N -1 3 310.378 3.446 20 10 DGCDHM CCc1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1[O-] ZINC000751388177 575783540 /nfs/dbraw/zinc/78/35/40/575783540.db2.gz CPZDXTKWWZZUKH-LLVKDONJSA-N -1 3 315.369 3.160 20 10 DGCDHM CCn1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000840840681 617872260 /nfs/dbraw/zinc/87/22/60/617872260.db2.gz NMSMBGWRNUBVKW-SNVBAGLBSA-N -1 3 313.323 3.478 20 10 DGCDHM CO[C@@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000895577451 618801035 /nfs/dbraw/zinc/80/10/35/618801035.db2.gz KUNSPZMDWKCSDN-LBPRGKRZSA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1nc(C2CC2)ccc1C(=O)NCc1c([O-])cccc1F ZINC000928705484 619058695 /nfs/dbraw/zinc/05/86/95/619058695.db2.gz IUYKGYCVZHPJEZ-UHFFFAOYSA-N -1 3 300.333 3.042 20 10 DGCDHM CCOc1ccc(C[NH2+][C@H](CCC(C)(C)C)C(=O)[O-])c([O-])c1 ZINC000840998707 619110902 /nfs/dbraw/zinc/11/09/02/619110902.db2.gz OPYKWUAGNPKUFQ-CQSZACIVSA-N -1 3 309.406 3.160 20 10 DGCDHM COc1cc2c(cc1CNCc1cccc(Cl)c1[O-])OCO2 ZINC000898219571 619222827 /nfs/dbraw/zinc/22/28/27/619222827.db2.gz ZTUBOWOKGLRKBA-UHFFFAOYSA-N -1 3 321.760 3.073 20 10 DGCDHM C[C@@H](NCc1cn(C)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000903350693 619763120 /nfs/dbraw/zinc/76/31/20/619763120.db2.gz DSFQPPJRGSZDGS-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM Cc1cc([O-])c(CN2CCOc3ccc(N)cc3C2)c(Cl)c1 ZINC000903944318 619842294 /nfs/dbraw/zinc/84/22/94/619842294.db2.gz IDFLPVBBXRUINI-UHFFFAOYSA-N -1 3 318.804 3.331 20 10 DGCDHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000914845721 620557083 /nfs/dbraw/zinc/55/70/83/620557083.db2.gz LIPCEDDFUFQFRF-UHFFFAOYSA-N -1 3 321.398 3.228 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000852589114 620632376 /nfs/dbraw/zinc/63/23/76/620632376.db2.gz OGPFYWOZGFVXNA-MNOVXSKESA-N -1 3 311.809 3.248 20 10 DGCDHM CS[C@H](CNC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000921919517 620968556 /nfs/dbraw/zinc/96/85/56/620968556.db2.gz VSYVBGXDJDXACL-CYBMUJFWSA-N -1 3 314.426 3.108 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000922323991 621024560 /nfs/dbraw/zinc/02/45/60/621024560.db2.gz VDCCICHHKLVCAV-HDJSIYSDSA-N -1 3 314.360 3.277 20 10 DGCDHM C[C@H]1C[C@@H](NCc2c([O-])cccc2Br)c2nccn21 ZINC000858172487 621161088 /nfs/dbraw/zinc/16/10/88/621161088.db2.gz WGBROZUXFMPELF-JOYOIKCWSA-N -1 3 322.206 3.147 20 10 DGCDHM Cc1cc(=O)[n-]c(CSc2ncc(-c3ccccc3)n2C)n1 ZINC000754450910 621511091 /nfs/dbraw/zinc/51/10/91/621511091.db2.gz NQGMPQDHVLCKPL-UHFFFAOYSA-N -1 3 312.398 3.183 20 10 DGCDHM Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760397 621662562 /nfs/dbraw/zinc/66/25/62/621662562.db2.gz ONSHIRXUYFIQDY-NHYWBVRUSA-N -1 3 314.341 3.393 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)cc2)c1 ZINC000756794809 621665210 /nfs/dbraw/zinc/66/52/10/621665210.db2.gz DFYGLJMCNJHVEH-LLVKDONJSA-N -1 3 301.342 3.361 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(C(C)(C)C)c2)c1 ZINC000756857388 621669005 /nfs/dbraw/zinc/66/90/05/621669005.db2.gz WKSKBMZQCLLCPM-NSHDSACASA-N -1 3 317.389 3.303 20 10 DGCDHM C[C@H]([NH2+]Cc1nnc(-c2ccccc2)[n-]1)c1ccc(F)cc1[O-] ZINC000756867243 621669170 /nfs/dbraw/zinc/66/91/70/621669170.db2.gz HKHGWORDDXUFTL-NSHDSACASA-N -1 3 312.348 3.167 20 10 DGCDHM COc1ccc(CNCc2cccc(CCC(=O)[O-])c2)cc1C ZINC000864518388 621777187 /nfs/dbraw/zinc/77/71/87/621777187.db2.gz ILWXJJAUEVGQOF-UHFFFAOYSA-N -1 3 313.397 3.311 20 10 DGCDHM CC(C)Oc1ccc(N(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000760677210 621958278 /nfs/dbraw/zinc/95/82/78/621958278.db2.gz IPLBIEFZCSPOEL-UHFFFAOYSA-N -1 3 301.342 3.162 20 10 DGCDHM COC(=O)c1ccc2c(c1)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000769372695 622522084 /nfs/dbraw/zinc/52/20/84/622522084.db2.gz YFPGZHGZPFKKGD-UHFFFAOYSA-N -1 3 317.772 3.348 20 10 DGCDHM Cc1cnc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)s1 ZINC000769456373 622529170 /nfs/dbraw/zinc/52/91/70/622529170.db2.gz JEFHSYCWRCPKAX-UHFFFAOYSA-N -1 3 323.849 3.133 20 10 DGCDHM Cc1cccc(CN(C)Cc2cccc(Br)c2[O-])n1 ZINC000769480447 622532561 /nfs/dbraw/zinc/53/25/61/622532561.db2.gz NTEZXXKEIOLQGB-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@](F)(c2ccccc2)C1 ZINC000871371529 622612052 /nfs/dbraw/zinc/61/20/52/622612052.db2.gz BVGGOIUDLGPYKL-GOSISDBHSA-N -1 3 315.344 3.199 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCO[C@H](C(F)F)CC1 ZINC000872257819 622869808 /nfs/dbraw/zinc/86/98/08/622869808.db2.gz XYCXHHKURFXUDV-LBPRGKRZSA-N -1 3 309.715 3.041 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](Oc2ccccn2)C1 ZINC000775726618 623319363 /nfs/dbraw/zinc/31/93/63/623319363.db2.gz XMMJYDYJBLBXHK-ZDUSSCGKSA-N -1 3 322.767 3.233 20 10 DGCDHM CC(C)CO[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737716 623322107 /nfs/dbraw/zinc/32/21/07/623322107.db2.gz KCJHWDJFKPMDLO-CYBMUJFWSA-N -1 3 301.789 3.432 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H](CO)c1ccc(F)cc1 ZINC000776175647 623390801 /nfs/dbraw/zinc/39/08/01/623390801.db2.gz WDXFDWWMUHPHNI-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM CCCc1nc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000777399070 623520674 /nfs/dbraw/zinc/52/06/74/623520674.db2.gz MXUPXUSZHWWHCJ-UHFFFAOYSA-N -1 3 306.387 3.376 20 10 DGCDHM [O-]c1c(Br)cccc1CNCc1cc(C2CC2)no1 ZINC000877479054 623902147 /nfs/dbraw/zinc/90/21/47/623902147.db2.gz QSDFCJWESUHDAN-UHFFFAOYSA-N -1 3 323.190 3.310 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000780389601 623921381 /nfs/dbraw/zinc/92/13/81/623921381.db2.gz QFRUIHRACVMQRF-UHFFFAOYSA-N -1 3 313.325 3.439 20 10 DGCDHM CC[C@@](NCc1cc(F)ccc1[O-])(C(=O)OC)c1ccccc1 ZINC000877676582 623988334 /nfs/dbraw/zinc/98/83/34/623988334.db2.gz YRCBZWZTGBSTGI-SFHVURJKSA-N -1 3 317.360 3.099 20 10 DGCDHM CCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC000780854879 623990590 /nfs/dbraw/zinc/99/05/90/623990590.db2.gz IYJWASJZWYVQQE-UHFFFAOYSA-N -1 3 317.341 3.066 20 10 DGCDHM CCCOc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780882632 623993439 /nfs/dbraw/zinc/99/34/39/623993439.db2.gz KBNOVFAXMHXVQY-UHFFFAOYSA-N -1 3 301.342 3.447 20 10 DGCDHM C[C@@H](c1ccccc1)n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790882963 625712062 /nfs/dbraw/zinc/71/20/62/625712062.db2.gz TZRBGRVHPPSDTB-LBPRGKRZSA-N -1 3 323.352 3.156 20 10 DGCDHM O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000783852937 624400705 /nfs/dbraw/zinc/40/07/05/624400705.db2.gz YGELKWWMBRQPME-CABCVRRESA-N -1 3 311.381 3.239 20 10 DGCDHM CC[C@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2O1 ZINC000785670075 624709898 /nfs/dbraw/zinc/70/98/98/624709898.db2.gz LBPRLPDHENBOPX-QGZVFWFLSA-N -1 3 315.325 3.248 20 10 DGCDHM CCOc1ccc(NC(=O)c2cccc(O)c2[O-])c2ncccc12 ZINC000790937940 625719069 /nfs/dbraw/zinc/71/90/69/625719069.db2.gz IWLQCUJDELVHHU-UHFFFAOYSA-N -1 3 324.336 3.297 20 10 DGCDHM CCc1ccc([C@@H](COC)NCc2cc(F)cc(F)c2[O-])o1 ZINC000883017798 625899155 /nfs/dbraw/zinc/89/91/55/625899155.db2.gz BHPBMUVYIILBKI-CQSZACIVSA-N -1 3 311.328 3.303 20 10 DGCDHM Cn1c(=O)[nH]c2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000799739716 626327000 /nfs/dbraw/zinc/32/70/00/626327000.db2.gz BJDOAGWIVWDZKN-UHFFFAOYSA-N -1 3 303.749 3.250 20 10 DGCDHM CC(C)(C)c1ccc(NC(=O)c2cccc(O)c2[O-])c(O)c1 ZINC000800646658 626370027 /nfs/dbraw/zinc/37/00/27/626370027.db2.gz CJDFWECXIMEMCG-UHFFFAOYSA-N -1 3 301.342 3.353 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cccc(-n2ccnn2)c1 ZINC000136828938 627103818 /nfs/dbraw/zinc/10/38/18/627103818.db2.gz BIFMKECMHKJKBR-UHFFFAOYSA-N -1 3 300.749 3.238 20 10 DGCDHM CC(F)(F)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000817462375 627906320 /nfs/dbraw/zinc/90/63/20/627906320.db2.gz KMNREBHYRVQEHA-UHFFFAOYSA-N -1 3 307.296 3.140 20 10 DGCDHM C[C@@H](NCc1cc(C(F)(F)F)nn1C)c1c([O-])cccc1F ZINC000926928391 627983569 /nfs/dbraw/zinc/98/35/69/627983569.db2.gz ZKXLYAQESHJFCK-MRVPVSSYSA-N -1 3 317.286 3.134 20 10 DGCDHM CC[C@H](NCc1cc(C2CC2)n(C)n1)c1ccc(F)cc1[O-] ZINC000927108663 628016221 /nfs/dbraw/zinc/01/62/21/628016221.db2.gz SGFGZFNMMYTNOP-HNNXBMFYSA-N -1 3 303.381 3.383 20 10 DGCDHM C[C@H](CCOc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC000928704855 628179384 /nfs/dbraw/zinc/17/93/84/628179384.db2.gz FWCOVSCJUKALEX-CYBMUJFWSA-N -1 3 317.360 3.253 20 10 DGCDHM C[C@@H](CCOc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC000928704857 628179449 /nfs/dbraw/zinc/17/94/49/628179449.db2.gz FWCOVSCJUKALEX-ZDUSSCGKSA-N -1 3 317.360 3.253 20 10 DGCDHM CC(C)(C)c1cnc(Sc2ncccc2-c2nnn[n-]2)s1 ZINC000819965646 628206404 /nfs/dbraw/zinc/20/64/04/628206404.db2.gz LKELLTFDYVRQFL-UHFFFAOYSA-N -1 3 318.431 3.167 20 10 DGCDHM CC(C)(C)c1cnc(Sc2ncccc2-c2nn[n-]n2)s1 ZINC000819965646 628206406 /nfs/dbraw/zinc/20/64/06/628206406.db2.gz LKELLTFDYVRQFL-UHFFFAOYSA-N -1 3 318.431 3.167 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000825046084 628720731 /nfs/dbraw/zinc/72/07/31/628720731.db2.gz PUNXNEGBDYUKPQ-MRXNPFEDSA-N -1 3 305.324 3.244 20 10 DGCDHM CC1(C)C[C@@H](O)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825090954 628727073 /nfs/dbraw/zinc/72/70/73/628727073.db2.gz OSIANHGDVKMJTA-JTQLQIEISA-N -1 3 301.789 3.168 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2nncn2C(C)C)cc1Cl ZINC000825991636 628818848 /nfs/dbraw/zinc/81/88/48/628818848.db2.gz LJRIWSQBVSADPV-UHFFFAOYSA-N -1 3 308.813 3.158 20 10 DGCDHM COc1ccc(O)c([C@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734029 629644478 /nfs/dbraw/zinc/64/44/78/629644478.db2.gz ZTVKOONQUVNROE-QFYYESIMSA-N -1 3 319.332 3.016 20 10 DGCDHM C[C@H](N[C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831540 629786062 /nfs/dbraw/zinc/78/60/62/629786062.db2.gz JUXLDMKATUXMNN-JOYOIKCWSA-N -1 3 311.307 3.403 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2nncn2C(C)C)c(Cl)c1 ZINC000840949912 630383650 /nfs/dbraw/zinc/38/36/50/630383650.db2.gz FYISKGHXJUHOBO-UHFFFAOYSA-N -1 3 308.813 3.158 20 10 DGCDHM C[C@H](C(=O)OC(C)(C)C)N(Cc1cc(F)ccc1[O-])C1CC1 ZINC000840958734 630386451 /nfs/dbraw/zinc/38/64/51/630386451.db2.gz RQCATWYLMLXVDW-LLVKDONJSA-N -1 3 309.381 3.226 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(OC3CCC3)CC2)c1[O-] ZINC000842161894 630500406 /nfs/dbraw/zinc/50/04/06/630500406.db2.gz RZDIGCUZLVXKEB-UHFFFAOYSA-N -1 3 321.392 3.267 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000843420288 630655465 /nfs/dbraw/zinc/65/54/65/630655465.db2.gz BAAVHWHOWMEBMO-HNNXBMFYSA-N -1 3 313.850 3.062 20 10 DGCDHM CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844033597 630707233 /nfs/dbraw/zinc/70/72/33/630707233.db2.gz PTWGKVAKJZDJHL-OCCSQVGLSA-N -1 3 303.402 3.386 20 10 DGCDHM O=C([O-])C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CC1 ZINC000844934361 630990993 /nfs/dbraw/zinc/99/09/93/630990993.db2.gz CNMACJRJZZRNDP-UHFFFAOYSA-N -1 3 311.381 3.356 20 10 DGCDHM O=C([O-])C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])CC1CC1 ZINC000844934361 630990999 /nfs/dbraw/zinc/99/09/99/630990999.db2.gz CNMACJRJZZRNDP-UHFFFAOYSA-N -1 3 311.381 3.356 20 10 DGCDHM C[C@@H](CO)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000846059081 631208937 /nfs/dbraw/zinc/20/89/37/631208937.db2.gz XSTCULYFQCPRIU-JTQLQIEISA-N -1 3 301.789 3.025 20 10 DGCDHM CN(C)c1ccc(CN2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000846274409 631219253 /nfs/dbraw/zinc/21/92/53/631219253.db2.gz RWTWKZXLUKPWMA-UHFFFAOYSA-N -1 3 310.397 3.009 20 10 DGCDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C ZINC000182476168 660056766 /nfs/dbraw/zinc/05/67/66/660056766.db2.gz CKNUMPIKQZZBEN-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM CCCCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185791542 660242318 /nfs/dbraw/zinc/24/23/18/660242318.db2.gz UVJNNKZMMMWQJU-GJZGRUSLSA-N -1 3 321.417 3.154 20 10 DGCDHM COc1ccc2cc(CNC(=O)c3cccc(O)c3[O-])ccc2c1 ZINC000186829849 660576632 /nfs/dbraw/zinc/57/66/32/660576632.db2.gz TYVODSGDZNBVFY-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC(F)F)cc1 ZINC000186878832 660579387 /nfs/dbraw/zinc/57/93/87/660579387.db2.gz PRJSMOMPDZHQOU-VIFPVBQESA-N -1 3 323.295 3.190 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)O1 ZINC000707140240 660887209 /nfs/dbraw/zinc/88/72/09/660887209.db2.gz OONJAKYWLBGTQH-GHMZBOCLSA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2OC(C)C)c([O-])c1O ZINC000179430160 655893115 /nfs/dbraw/zinc/89/31/15/655893115.db2.gz JJVQAPKWZUBBPF-UHFFFAOYSA-N -1 3 301.342 3.446 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c([O-])c1O ZINC000179538118 655908117 /nfs/dbraw/zinc/90/81/17/655908117.db2.gz VPRMNRUIMLDQRX-UHFFFAOYSA-N -1 3 311.337 3.178 20 10 DGCDHM CCN(Cc1c(F)cccc1F)C(=O)c1cccc(O)c1[O-] ZINC000187059919 656135492 /nfs/dbraw/zinc/13/54/92/656135492.db2.gz VFCQJNBGRNFGHF-UHFFFAOYSA-N -1 3 307.296 3.038 20 10 DGCDHM C[C@@H]1[C@H](C)SCCN1Cc1cccc(Br)c1[O-] ZINC000093501012 656356469 /nfs/dbraw/zinc/35/64/69/656356469.db2.gz MBRMPMYUBIWGCC-ZJUUUORDSA-N -1 3 316.264 3.481 20 10 DGCDHM COCC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000320779530 657843217 /nfs/dbraw/zinc/84/32/17/657843217.db2.gz VCTQKJCPVUZLTA-LLVKDONJSA-N -1 3 318.348 3.289 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ncsc1C1CC1 ZINC000932416284 661568096 /nfs/dbraw/zinc/56/80/96/661568096.db2.gz MNNCMOZTWAGYJG-UHFFFAOYSA-N -1 3 307.350 3.187 20 10 DGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OCC(F)F ZINC000193008176 662120530 /nfs/dbraw/zinc/12/05/30/662120530.db2.gz YIWGJHIHUNDECL-UHFFFAOYSA-N -1 3 323.295 3.302 20 10 DGCDHM COc1cc(OC)c(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000388351932 685188656 /nfs/dbraw/zinc/18/86/56/685188656.db2.gz ADJSGDUICQDANG-UHFFFAOYSA-N -1 3 323.732 3.021 20 10 DGCDHM Nc1ccc2c(c1)CN(Cc1ccc(Cl)cc1[O-])CCO2 ZINC001580451817 1192027817 /nfs/dbraw/zinc/02/78/17/1192027817.db2.gz DTKIAQMGEXWFIZ-UHFFFAOYSA-N -1 3 304.777 3.022 20 10 DGCDHM CC(C)Nc1ccccc1NCc1ccccc1-c1nnn[n-]1 ZINC001589729278 1192472108 /nfs/dbraw/zinc/47/21/08/1192472108.db2.gz CUPDAHWJJMTIAP-UHFFFAOYSA-N -1 3 308.389 3.299 20 10 DGCDHM CC(C)Nc1ccccc1NCc1ccccc1-c1nn[n-]n1 ZINC001589729278 1192472112 /nfs/dbraw/zinc/47/21/12/1192472112.db2.gz CUPDAHWJJMTIAP-UHFFFAOYSA-N -1 3 308.389 3.299 20 10 DGCDHM C[C@@H](Nc1cccc(C2CC2)n1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589983987 1192481283 /nfs/dbraw/zinc/48/12/83/1192481283.db2.gz IGWQEVWMMVGSHK-SNVBAGLBSA-N -1 3 322.372 3.018 20 10 DGCDHM CCOc1ccc(N(C)Cc2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001590837317 1192541182 /nfs/dbraw/zinc/54/11/82/1192541182.db2.gz LVVKKFJDIPGHQG-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM CCOc1ccc(N(C)Cc2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001590837317 1192541222 /nfs/dbraw/zinc/54/12/22/1192541222.db2.gz LVVKKFJDIPGHQG-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM Cc1cc(C)cc(C[NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001591951092 1192582017 /nfs/dbraw/zinc/58/20/17/1192582017.db2.gz IQSRYUQDXLYXGU-ZDUSSCGKSA-N -1 3 323.400 3.040 20 10 DGCDHM Cc1cc(CNCc2c[nH]c(C(=O)[O-])c2)c(C)n1-c1ccccc1 ZINC001600209080 1192809367 /nfs/dbraw/zinc/80/93/67/1192809367.db2.gz XFQICNKQNDGIGS-UHFFFAOYSA-N -1 3 323.396 3.410 20 10 DGCDHM Cc1noc(C2CC2)c1NC(=O)NCc1c([O-])cccc1F ZINC001334304739 1178747340 /nfs/dbraw/zinc/74/73/40/1178747340.db2.gz FJPVEMRNPVFILT-UHFFFAOYSA-N -1 3 305.309 3.027 20 10 DGCDHM O=C(C[C@H]1CCNc2ccccc21)NCc1c([O-])cccc1F ZINC001341767537 1179058592 /nfs/dbraw/zinc/05/85/92/1179058592.db2.gz RDKFDDPGWCCULD-GFCCVEGCSA-N -1 3 314.360 3.137 20 10 DGCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1F ZINC001300454918 1180688801 /nfs/dbraw/zinc/68/88/01/1180688801.db2.gz DSBHJBQFWFFDNL-OAHLLOKOSA-N -1 3 303.333 3.364 20 10 DGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N1CCCC[C@@H]1C ZINC001604331809 1193065870 /nfs/dbraw/zinc/06/58/70/1193065870.db2.gz GSHIPBVKXDIYGF-MJBXVCDLSA-N -1 3 320.433 3.004 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1cc(F)ccc1[O-] ZINC001604346533 1193067776 /nfs/dbraw/zinc/06/77/76/1193067776.db2.gz JOMKLVYMHRJGCN-LLVKDONJSA-N -1 3 303.333 3.009 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1F)C1CCC1 ZINC001545734832 1181758508 /nfs/dbraw/zinc/75/85/08/1181758508.db2.gz AIJLDXSTTZKEAX-UHFFFAOYSA-N -1 3 315.344 3.432 20 10 DGCDHM CC(C)CN(CCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001441027725 1182054380 /nfs/dbraw/zinc/05/43/80/1182054380.db2.gz NJHMZSSSCCQKMY-UHFFFAOYSA-N -1 3 313.397 3.439 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccn(Cc2ccccc2)c1 ZINC001456029951 1182394696 /nfs/dbraw/zinc/39/46/96/1182394696.db2.gz OXPXTFQAWMRSEK-UHFFFAOYSA-N -1 3 324.355 3.311 20 10 DGCDHM CO[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccccc1 ZINC001606679247 1193202595 /nfs/dbraw/zinc/20/25/95/1193202595.db2.gz AYPMPCKJOVEYLU-YVEFUNNKSA-N -1 3 315.369 3.129 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2Cc3ccccc3CO2)c1[O-] ZINC001473734046 1183795394 /nfs/dbraw/zinc/79/53/94/1183795394.db2.gz NABMZUXQZPJFLZ-UHFFFAOYSA-N -1 3 301.317 3.181 20 10 DGCDHM COc1cc(CCO)ccc1NCc1ccc(Cl)cc1[O-] ZINC001474490422 1183930272 /nfs/dbraw/zinc/93/02/72/1183930272.db2.gz ZVQPHPRZKYYSPN-UHFFFAOYSA-N -1 3 307.777 3.201 20 10 DGCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])c2ccccc2NC1=O ZINC001474522267 1183935094 /nfs/dbraw/zinc/93/50/94/1183935094.db2.gz KLMPQDHYTZYLJS-JTQLQIEISA-N -1 3 318.323 3.265 20 10 DGCDHM COC(=O)c1cc(C)cc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001474730423 1183969890 /nfs/dbraw/zinc/96/98/90/1183969890.db2.gz WVUHSFXJDYQXOV-UHFFFAOYSA-N -1 3 307.296 3.378 20 10 DGCDHM Cc1ccc(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c(O)c1 ZINC001607781291 1193256893 /nfs/dbraw/zinc/25/68/93/1193256893.db2.gz NSQLZQJBFKAOPS-UHFFFAOYSA-N -1 3 315.344 3.096 20 10 DGCDHM COc1ccc(C)cc1NC(=O)NCc1c([O-])cccc1F ZINC001475908400 1184021976 /nfs/dbraw/zinc/02/19/76/1184021976.db2.gz JYBFZWAXASYJDE-UHFFFAOYSA-N -1 3 304.321 3.170 20 10 DGCDHM C[C@H](N[C@@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774829 1193355168 /nfs/dbraw/zinc/35/51/68/1193355168.db2.gz CAAXWAVOIHIBMT-MEDUHNTESA-N -1 3 313.353 3.013 20 10 DGCDHM COc1cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])ccc1C ZINC001610297788 1193381436 /nfs/dbraw/zinc/38/14/36/1193381436.db2.gz SDNLESBLZKDFIF-LBPRGKRZSA-N -1 3 315.369 3.258 20 10 DGCDHM Cc1ccc(OCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001610510922 1193394680 /nfs/dbraw/zinc/39/46/80/1193394680.db2.gz JUIBBVCDYKBASS-CYBMUJFWSA-N -1 3 315.369 3.128 20 10 DGCDHM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001610763598 1193407266 /nfs/dbraw/zinc/40/72/66/1193407266.db2.gz ZVMHKYXZQGHAQX-KRWDZBQOSA-N -1 3 311.381 3.498 20 10 DGCDHM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001610763598 1193407270 /nfs/dbraw/zinc/40/72/70/1193407270.db2.gz ZVMHKYXZQGHAQX-KRWDZBQOSA-N -1 3 311.381 3.498 20 10 DGCDHM C=C/C=C/CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC001615936009 1193531354 /nfs/dbraw/zinc/53/13/54/1193531354.db2.gz YLVDFCWAHIUBSS-SNAWJCMRSA-N -1 3 309.793 3.153 20 10 DGCDHM O=C(Nc1cc(-n2cccc2)ccc1F)c1cccc(O)c1[O-] ZINC001542682523 1188301690 /nfs/dbraw/zinc/30/16/90/1188301690.db2.gz KKNJZSJXUCRVGD-UHFFFAOYSA-N -1 3 312.300 3.280 20 10 DGCDHM NC(=O)N=Nc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC001556081717 1188983025 /nfs/dbraw/zinc/98/30/25/1188983025.db2.gz IUFOYMIPCDQJSN-UHFFFAOYSA-N -1 3 318.720 3.460 20 10 DGCDHM O=C(/C=C\c1ccc(O)c(O)c1)Nc1c([O-])cccc1Cl ZINC001556784087 1189020009 /nfs/dbraw/zinc/02/00/09/1189020009.db2.gz JYECJAXEUMLODE-ALCCZGGFSA-N -1 3 305.717 3.109 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c(F)c(F)cc(F)c1F ZINC001558454704 1189126382 /nfs/dbraw/zinc/12/63/82/1189126382.db2.gz KLNUQFQQMQUVII-UHFFFAOYSA-N -1 3 317.213 3.018 20 10 DGCDHM O=C(N[C@H]1CCCc2c(F)cccc21)c1cccc(O)c1[O-] ZINC001569845974 1190762664 /nfs/dbraw/zinc/76/26/64/1190762664.db2.gz LWZFMMFLSFXTIZ-AWEZNQCLSA-N -1 3 301.317 3.044 20 10 DGCDHM CCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)c([O-])c1 ZINC001625377223 1194047849 /nfs/dbraw/zinc/04/78/49/1194047849.db2.gz OIHOUMAXGDZSEF-UHFFFAOYSA-N -1 3 324.424 3.485 20 10 DGCDHM CCCCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC001633642833 1194448659 /nfs/dbraw/zinc/44/86/59/1194448659.db2.gz CTIHVDBTVHWAFV-UHFFFAOYSA-N -1 3 316.357 3.232 20 10 DGCDHM CC(C)[C@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1[O-] ZINC001635496817 1194555213 /nfs/dbraw/zinc/55/52/13/1194555213.db2.gz KMGXWMOXWROCMT-KRWDZBQOSA-N -1 3 311.381 3.493 20 10 DGCDHM COc1ccc(/C(C)=C/C(=O)NCc2c([O-])cccc2F)cc1 ZINC001638862604 1194741561 /nfs/dbraw/zinc/74/15/61/1194741561.db2.gz CRWREFDJXCVMQR-ZRDIBKRKSA-N -1 3 315.344 3.260 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1SCCc2ccccc21 ZINC001646035553 1195211500 /nfs/dbraw/zinc/21/15/00/1195211500.db2.gz YOXWRNXSVMBFKK-MRXNPFEDSA-N -1 3 317.385 3.178 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1ccc(Br)o1 ZINC001652247740 1195569074 /nfs/dbraw/zinc/56/90/74/1195569074.db2.gz JIIZPYYUFLZQSE-UHFFFAOYSA-N -1 3 318.117 3.316 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CCN(c2cccc(F)c2)CC1 ZINC001652979027 1195677198 /nfs/dbraw/zinc/67/71/98/1195677198.db2.gz GJGDMHLWLSCXKP-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM COc1ccccc1C1(NCc2cc(F)c(F)cc2[O-])CC1 ZINC001658410132 1196252820 /nfs/dbraw/zinc/25/28/20/1196252820.db2.gz FNEWAYCZUYDHSP-UHFFFAOYSA-N -1 3 305.324 3.458 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC001658675768 1196287243 /nfs/dbraw/zinc/28/72/43/1196287243.db2.gz OMRUVLHAGQEBEG-RHSMWYFYSA-N -1 3 319.351 3.368 20 10 DGCDHM CC[C@@H](C)C[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC001659531605 1196392940 /nfs/dbraw/zinc/39/29/40/1196392940.db2.gz HZGXGZYRUKLVJY-YGRLFVJLSA-N -1 3 313.825 3.421 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1noc2cc(F)ccc12 ZINC001659895050 1196426090 /nfs/dbraw/zinc/42/60/90/1196426090.db2.gz USDLLJZPFXDUFK-UHFFFAOYSA-N -1 3 308.259 3.241 20 10 DGCDHM CCC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC001661311220 1196593299 /nfs/dbraw/zinc/59/32/99/1196593299.db2.gz XNQCLCXSJGDIRZ-AWEZNQCLSA-N -1 3 301.346 3.326 20 10 DGCDHM Cc1csc([C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])C2CC2)n1 ZINC001661563021 1196620098 /nfs/dbraw/zinc/62/00/98/1196620098.db2.gz VAXAJGXOBKXCFC-AWEZNQCLSA-N -1 3 319.386 3.306 20 10 DGCDHM COC[C@H](NCc1cc(F)c(F)cc1[O-])c1cccc(OC)c1 ZINC001665189929 1197106737 /nfs/dbraw/zinc/10/67/37/1197106737.db2.gz NOTOSTJHORVSBH-INIZCTEOSA-N -1 3 323.339 3.156 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCc2ccccc21 ZINC001676529448 1198342972 /nfs/dbraw/zinc/34/29/72/1198342972.db2.gz IULYDQCDUAOQEL-MRXNPFEDSA-N -1 3 314.360 3.408 20 10 DGCDHM CN(C)c1ccc(F)cc1NC(=O)NCc1c([O-])cccc1F ZINC001680355064 1198875210 /nfs/dbraw/zinc/87/52/10/1198875210.db2.gz SEONJFGFBAMVTK-UHFFFAOYSA-N -1 3 321.327 3.058 20 10 DGCDHM O=C(NCc1ccc2c(c1)CCC2)NCc1c([O-])cccc1F ZINC001682079350 1199126320 /nfs/dbraw/zinc/12/63/20/1199126320.db2.gz ZCYSFYXDTSCSFQ-UHFFFAOYSA-N -1 3 314.360 3.019 20 10 DGCDHM Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001605273552 973063155 /nfs/dbraw/zinc/06/31/55/973063155.db2.gz MFRDGCXLHNTENP-DLBZAZTESA-N -1 3 311.381 3.001 20 10 DGCDHM Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001605273552 973063164 /nfs/dbraw/zinc/06/31/64/973063164.db2.gz MFRDGCXLHNTENP-DLBZAZTESA-N -1 3 311.381 3.001 20 10 DGCDHM CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1(C)C ZINC001591695727 975524661 /nfs/dbraw/zinc/52/46/61/975524661.db2.gz JNQOHXGHWZNAHJ-IUIKQTSFSA-N -1 3 321.417 3.333 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccnc2c(C(=O)[O-])cccc12)c1ccccc1[O-] ZINC001599841657 988848808 /nfs/dbraw/zinc/84/88/08/988848808.db2.gz BCGVNTLSFSSBIW-GFCCVEGCSA-N -1 3 322.364 3.489 20 10 DGCDHM C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232915 994388247 /nfs/dbraw/zinc/38/82/47/994388247.db2.gz QAWGULMUHHHGGB-CMPLNLGQSA-N -1 3 309.431 3.415 20 10 DGCDHM C[C@@H]([NH2+]CCc1c(F)cccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272769 994613832 /nfs/dbraw/zinc/61/38/32/994613832.db2.gz BBWHFEDCMPOCFQ-SNVBAGLBSA-N -1 3 321.323 3.262 20 10 DGCDHM Cc1ccnc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc12 ZINC001170323332 1082346170 /nfs/dbraw/zinc/34/61/70/1082346170.db2.gz XGNZEBZGKVRBEW-UHFFFAOYSA-N -1 3 308.337 3.249 20 10 DGCDHM COc1c(F)cc(NCc2cccc(F)c2[O-])c(OC)c1F ZINC001181845938 1083556933 /nfs/dbraw/zinc/55/69/33/1083556933.db2.gz WXKIFJYWOPRLKV-UHFFFAOYSA-N -1 3 313.275 3.439 20 10 DGCDHM CN(Cc1ccc2c(c1)OCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142527444 1087277896 /nfs/dbraw/zinc/27/78/96/1087277896.db2.gz UYQUMAICKBKOTO-UHFFFAOYSA-N -1 3 307.296 3.031 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928420 1087707758 /nfs/dbraw/zinc/70/77/58/1087707758.db2.gz JSAQKNFERPBGRE-LKFCYVNXSA-N -1 3 305.752 3.290 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@@](C)(C(F)F)O1 ZINC000698928422 1087707857 /nfs/dbraw/zinc/70/78/57/1087707857.db2.gz JSAQKNFERPBGRE-XPTSAGLGSA-N -1 3 305.752 3.290 20 10 DGCDHM COc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001168522662 1088531672 /nfs/dbraw/zinc/53/16/72/1088531672.db2.gz HNYTUZVIETVXRO-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM Cc1cc([O-])c(CN(C)CC(F)(F)F)cc1Br ZINC001237677462 1090316266 /nfs/dbraw/zinc/31/62/66/1090316266.db2.gz NIFMIRGMTPSPAT-UHFFFAOYSA-N -1 3 312.129 3.457 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCC(F)(F)[C@@H](F)C1 ZINC001203635771 1090770934 /nfs/dbraw/zinc/77/09/34/1090770934.db2.gz FTKUEVTWFDAVPW-NSHDSACASA-N -1 3 324.140 3.334 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCc2cc3c(cc2C1)OCO3 ZINC001203650892 1090773706 /nfs/dbraw/zinc/77/37/06/1090773706.db2.gz FWXIWRJTCSTZML-UHFFFAOYSA-N -1 3 317.772 3.333 20 10 DGCDHM [O-]c1cccc(F)c1CN1CCC(O)(c2ccccc2F)CC1 ZINC001137837407 1091207242 /nfs/dbraw/zinc/20/72/42/1091207242.db2.gz FUOBPRVEEBWZAT-UHFFFAOYSA-N -1 3 319.351 3.154 20 10 DGCDHM COC(=O)c1sc(NCc2c([O-])cccc2F)nc1Cl ZINC001164185475 1091397914 /nfs/dbraw/zinc/39/79/14/1091397914.db2.gz IESIXYIYOZMPJQ-UHFFFAOYSA-N -1 3 316.741 3.040 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@](C)(F)C1 ZINC001139127579 1091459478 /nfs/dbraw/zinc/45/94/78/1091459478.db2.gz YCTWUQAVPOGCBM-KRWDZBQOSA-N -1 3 305.349 3.131 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CC(Oc2ccc(F)c(F)c2)C1 ZINC001140055165 1091751954 /nfs/dbraw/zinc/75/19/54/1091751954.db2.gz MUOQTGCCLXVYFW-UHFFFAOYSA-N -1 3 309.287 3.073 20 10 DGCDHM CC(C)[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC001140101454 1091769555 /nfs/dbraw/zinc/76/95/55/1091769555.db2.gz SQVDCZYNTMUSLA-ZDUSSCGKSA-N -1 3 314.223 3.012 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC2(C1)CC(F)(F)CS2 ZINC001140341927 1091835460 /nfs/dbraw/zinc/83/54/60/1091835460.db2.gz LFNWNQGDHSPTEY-UHFFFAOYSA-N -1 3 305.777 3.372 20 10 DGCDHM CSc1ncc2c(n1)CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464478 1091875840 /nfs/dbraw/zinc/87/58/40/1091875840.db2.gz RDQVVFAAYAGTQS-UHFFFAOYSA-N -1 3 321.833 3.116 20 10 DGCDHM O=C1CCC2(CC1)CCN(Cc1c([O-])cc(F)cc1F)CC2 ZINC001140584466 1091919369 /nfs/dbraw/zinc/91/93/69/1091919369.db2.gz SEVWMPLTZUHSOL-UHFFFAOYSA-N -1 3 309.356 3.396 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001140585273 1091921858 /nfs/dbraw/zinc/92/18/58/1091921858.db2.gz CNNCOWYEQWHJBA-CQSZACIVSA-N -1 3 323.314 3.463 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2ccc(F)cc2)CC1 ZINC001142508863 1092491906 /nfs/dbraw/zinc/49/19/06/1092491906.db2.gz OIOJBBFTMOUEHK-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(Oc2cccnc2)CC1 ZINC001142521035 1092493243 /nfs/dbraw/zinc/49/32/43/1092493243.db2.gz VCVNHLVFHGISQT-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)c([O-])c1O ZINC001142880391 1092574823 /nfs/dbraw/zinc/57/48/23/1092574823.db2.gz KPVIGMPDZKYDGA-UHFFFAOYSA-N -1 3 318.398 3.384 20 10 DGCDHM O=C(N[C@H]1CCc2ccc(Cl)cc21)c1cccc(O)c1[O-] ZINC001149971772 1092745432 /nfs/dbraw/zinc/74/54/32/1092745432.db2.gz HWJFIZDUVWSDJM-ZDUSSCGKSA-N -1 3 303.745 3.169 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001215143897 1093925921 /nfs/dbraw/zinc/92/59/21/1093925921.db2.gz YYSNTZCKIQEHDX-UHFFFAOYSA-N -1 3 308.215 3.232 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001215145851 1093927291 /nfs/dbraw/zinc/92/72/91/1093927291.db2.gz MYATUEDNSYPBDD-UHFFFAOYSA-N -1 3 323.230 3.229 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001215145662 1093927323 /nfs/dbraw/zinc/92/73/23/1093927323.db2.gz APHDYNXBJCUNQU-UHFFFAOYSA-N -1 3 320.308 3.001 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(F)c(Cl)c3)no2)cc1O ZINC001215327670 1093961637 /nfs/dbraw/zinc/96/16/37/1093961637.db2.gz NMIMRBWEHPTWTD-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cc1cc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cc(C)n1 ZINC001216954046 1094283384 /nfs/dbraw/zinc/28/33/84/1094283384.db2.gz MMHHXPQFJPJVBV-UHFFFAOYSA-N -1 3 317.732 3.480 20 10 DGCDHM CCc1cccnc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216953788 1094283716 /nfs/dbraw/zinc/28/37/16/1094283716.db2.gz KAUXJCXNVKPAMZ-UHFFFAOYSA-N -1 3 317.732 3.426 20 10 DGCDHM CC[C@@H]1CCc2nc(NC(=O)c3cccc(O)c3[O-])sc2C1 ZINC001136323610 1094988941 /nfs/dbraw/zinc/98/89/41/1094988941.db2.gz HYTWAAPVLWRESS-SECBINFHSA-N -1 3 318.398 3.322 20 10 DGCDHM C[C@@](O)(C1CCN(Cc2c([O-])cccc2F)CC1)C(F)(F)F ZINC001137840410 1095758472 /nfs/dbraw/zinc/75/84/72/1095758472.db2.gz ZMWLNTDCIDZMCO-CQSZACIVSA-N -1 3 321.314 3.057 20 10 DGCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnn1C1CCCC1 ZINC001340178955 1095896995 /nfs/dbraw/zinc/89/69/95/1095896995.db2.gz LJPOBIINPPVGJI-UHFFFAOYSA-N -1 3 317.364 3.081 20 10 DGCDHM CC[C@@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccc(C)cc1C ZINC001148591077 1096408955 /nfs/dbraw/zinc/40/89/55/1096408955.db2.gz SWHFCMBWOWFUCN-CQSZACIVSA-N -1 3 315.369 3.301 20 10 DGCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@@H]3C[C@H]4C[C@H]4C3)cccc21 ZINC001226380625 1096675279 /nfs/dbraw/zinc/67/52/79/1096675279.db2.gz ZANZXRTYOPIKMI-ZSBIGDGJSA-N -1 3 320.344 3.345 20 10 DGCDHM CCO[C@H](C)COc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940811 1097017565 /nfs/dbraw/zinc/01/75/65/1097017565.db2.gz OQEKSNIHRJZZOP-GFCCVEGCSA-N -1 3 316.353 3.133 20 10 DGCDHM CC(C)(CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001230768194 1097578393 /nfs/dbraw/zinc/57/83/93/1097578393.db2.gz QCHNXSZTKVAQKU-UHFFFAOYSA-N -1 3 316.376 3.308 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001231453059 1097753069 /nfs/dbraw/zinc/75/30/69/1097753069.db2.gz DUYGDUPOXLLFJD-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001231453059 1097753074 /nfs/dbraw/zinc/75/30/74/1097753074.db2.gz DUYGDUPOXLLFJD-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM Cc1nnc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)o1 ZINC001231914431 1097892439 /nfs/dbraw/zinc/89/24/39/1097892439.db2.gz LKDFRAWLANKKOB-UHFFFAOYSA-N -1 3 307.781 3.117 20 10 DGCDHM Cc1cnc2c(c1)CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232263103 1097985183 /nfs/dbraw/zinc/98/51/83/1097985183.db2.gz GZKCHLMFKPTUJJ-UHFFFAOYSA-N -1 3 304.777 3.013 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H]2c2cnccn2)cc1Cl ZINC001232270064 1097988402 /nfs/dbraw/zinc/98/84/02/1097988402.db2.gz RPLQJTQLYCKVBC-AWEZNQCLSA-N -1 3 319.792 3.181 20 10 DGCDHM [O-]c1c(CN2CCC3(CC(F)(F)CO3)CC2)ccc(F)c1F ZINC001233076225 1098219189 /nfs/dbraw/zinc/21/91/89/1098219189.db2.gz LZOLONQBUQBEEI-UHFFFAOYSA-N -1 3 319.298 3.061 20 10 DGCDHM [O-]c1c(CN2CC[C@@H](Oc3ccc(F)cc3)C2)ccc(F)c1F ZINC001233077106 1098219845 /nfs/dbraw/zinc/21/98/45/1098219845.db2.gz DMIAKKIUIUTDEY-CQSZACIVSA-N -1 3 323.314 3.463 20 10 DGCDHM Cc1ccnn1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079102 1098220703 /nfs/dbraw/zinc/22/07/03/1098220703.db2.gz VYHPBQYRORFUJG-UHFFFAOYSA-N -1 3 307.344 3.012 20 10 DGCDHM [O-]c1c(CN2CCC[C@@H](Oc3ccncc3)C2)ccc(F)c1F ZINC001233080202 1098220722 /nfs/dbraw/zinc/22/07/22/1098220722.db2.gz SECOVHYJSCGRJP-CQSZACIVSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1c(CN2CCC(Oc3cccnc3)CC2)ccc(F)c1F ZINC001233077711 1098221149 /nfs/dbraw/zinc/22/11/49/1098221149.db2.gz XKCIESAQMIKIHA-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](OCc2ccccc2)C1 ZINC001233334838 1098292672 /nfs/dbraw/zinc/29/26/72/1098292672.db2.gz VVZYTRHAHAKPLI-CQSZACIVSA-N -1 3 319.351 3.462 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001233336356 1098294170 /nfs/dbraw/zinc/29/41/70/1098294170.db2.gz JBNSUNZSJIQZJW-CYBMUJFWSA-N -1 3 323.314 3.463 20 10 DGCDHM CN(CC(=O)OC(C)(C)C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233452273 1098338016 /nfs/dbraw/zinc/33/80/16/1098338016.db2.gz QDTYALRRBIGNBU-UHFFFAOYSA-N -1 3 319.323 3.185 20 10 DGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC001178413452 1098827542 /nfs/dbraw/zinc/82/75/42/1098827542.db2.gz RXYCMUNCPZQJDK-VIFPVBQESA-N -1 3 309.287 3.229 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCSc2ccccc21 ZINC001178413081 1098827604 /nfs/dbraw/zinc/82/76/04/1098827604.db2.gz NKTWOFMJSQUIHO-GFCCVEGCSA-N -1 3 317.385 3.427 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1C[C@H]2CC[C@@H]1C2 ZINC001235300891 1098949682 /nfs/dbraw/zinc/94/96/82/1098949682.db2.gz APRFDEHEYHWNOZ-GZMMTYOYSA-N -1 3 300.171 3.278 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2CF)c1 ZINC001236669052 1099735219 /nfs/dbraw/zinc/73/52/19/1099735219.db2.gz GAKBDAPMWZWQKT-LLVKDONJSA-N -1 3 302.187 3.397 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@]2(CCO2)C1 ZINC001236798667 1099793694 /nfs/dbraw/zinc/79/36/94/1099793694.db2.gz JSMBQIBZCQYCRQ-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM COC(=O)C[C@@H]1CCCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798703 1099794122 /nfs/dbraw/zinc/79/41/22/1099794122.db2.gz KVPZRPLKDDDHOL-JTQLQIEISA-N -1 3 318.200 3.227 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC(N2CCCCC2)C1 ZINC001236800674 1099794815 /nfs/dbraw/zinc/79/48/15/1099794815.db2.gz XLWKLNCCVORFKQ-UHFFFAOYSA-N -1 3 315.244 3.369 20 10 DGCDHM COC(=O)[C@]1(C)CCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236801153 1099796270 /nfs/dbraw/zinc/79/62/70/1099796270.db2.gz AXTQLRKNCAIREK-CQSZACIVSA-N -1 3 318.200 3.084 20 10 DGCDHM COc1cc([O-])c(CN2CCC(F)(F)C2)c(Br)c1 ZINC001237063504 1099952588 /nfs/dbraw/zinc/95/25/88/1099952588.db2.gz SCPYDJZSRJTMJQ-UHFFFAOYSA-N -1 3 322.149 3.004 20 10 DGCDHM CCN(CCCC(=O)OC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077290 1099955675 /nfs/dbraw/zinc/95/56/75/1099955675.db2.gz FHMHOTZQGGNPFX-UHFFFAOYSA-N -1 3 320.216 3.474 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC2(CCO2)CC1 ZINC001237085392 1099962185 /nfs/dbraw/zinc/96/21/85/1099962185.db2.gz YZZUIMZHGDRWQH-UHFFFAOYSA-N -1 3 302.201 3.454 20 10 DGCDHM COC(=O)CCN(Cc1c([O-])ccc(Cl)c1Cl)C1CC1 ZINC001237087134 1099965593 /nfs/dbraw/zinc/96/55/93/1099965593.db2.gz UNULFURIQLCUKO-UHFFFAOYSA-N -1 3 318.200 3.227 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237131986 1099985853 /nfs/dbraw/zinc/98/58/53/1099985853.db2.gz ZXSMMENZAWEFCK-CYBMUJFWSA-N -1 3 321.726 3.185 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001237621850 1100191648 /nfs/dbraw/zinc/19/16/48/1100191648.db2.gz GZJKQVKQHLORRT-AWEZNQCLSA-N -1 3 322.767 3.233 20 10 DGCDHM Cc1cc([O-])c(CN2CCOC(C)(C)C2)cc1Br ZINC001237676074 1100209642 /nfs/dbraw/zinc/20/96/42/1100209642.db2.gz DPKHARIQTURIST-UHFFFAOYSA-N -1 3 314.223 3.074 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H]2CF)cc1Br ZINC001237675831 1100210545 /nfs/dbraw/zinc/21/05/45/1100210545.db2.gz BRLKIDLOIFTAKI-QWRGUYRKSA-N -1 3 320.177 3.345 20 10 DGCDHM CO[C@@H]1CC[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001196887130 1101414876 /nfs/dbraw/zinc/41/48/76/1101414876.db2.gz FWACKQCCARECAJ-IINYFYTJSA-N -1 3 311.809 3.248 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198863236 1102010721 /nfs/dbraw/zinc/01/07/21/1102010721.db2.gz XCYYCNAUTXYIEP-UHFFFAOYSA-N -1 3 303.339 3.248 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001245988102 1104347893 /nfs/dbraw/zinc/34/78/93/1104347893.db2.gz NWQRQMZRXCLPKL-SWLSCSKDSA-N -1 3 318.323 3.026 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC001330818305 1104653819 /nfs/dbraw/zinc/65/38/19/1104653819.db2.gz OHUCOUNLKZGUKY-HNNXBMFYSA-N -1 3 313.850 3.062 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc([C@H]3C[C@H]3c3ccccc3)o2)cc1O ZINC001254512030 1106086593 /nfs/dbraw/zinc/08/65/93/1106086593.db2.gz FHOUBSCHXSXEDJ-RYUDHWBXSA-N -1 3 310.309 3.125 20 10 DGCDHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1 ZINC001255081066 1106174381 /nfs/dbraw/zinc/17/43/81/1106174381.db2.gz KTYFZSCIFMRASL-UHFFFAOYSA-N -1 3 305.399 3.372 20 10 DGCDHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3cc(O)c([O-])c(O)c3)o2)cc1 ZINC001257209502 1106552021 /nfs/dbraw/zinc/55/20/21/1106552021.db2.gz LBHOSPOSLKLPQM-CHWSQXEVSA-N -1 3 324.336 3.433 20 10 DGCDHM Cc1cc(C)cc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001259524290 1107159714 /nfs/dbraw/zinc/15/97/14/1107159714.db2.gz KQQIBWIIXJPYLV-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(C)nc2C)c1 ZINC001321036628 1107230067 /nfs/dbraw/zinc/23/00/67/1107230067.db2.gz BIBRQJYIWMHZBT-NSHDSACASA-N -1 3 300.358 3.364 20 10 DGCDHM Cc1[nH]c2ccccc2c1CC(=O)NCc1c([O-])cccc1F ZINC001303877829 1111156839 /nfs/dbraw/zinc/15/68/39/1111156839.db2.gz JAULDVLKDXQOHV-UHFFFAOYSA-N -1 3 312.344 3.180 20 10 DGCDHM CCN(Cc1cnn(C)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092437921 185318426 /nfs/dbraw/zinc/31/84/26/185318426.db2.gz HCSRKLQIKGHCII-UHFFFAOYSA-N -1 3 314.216 3.455 20 10 DGCDHM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(O)c1[O-] ZINC000266214911 282794219 /nfs/dbraw/zinc/79/42/19/282794219.db2.gz OHLGMMZJYMQGTG-MRXNPFEDSA-N -1 3 318.417 3.031 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)c([O-])c1O ZINC000179515010 432061296 /nfs/dbraw/zinc/06/12/96/432061296.db2.gz YCMCCLNWXSSRHF-OAHLLOKOSA-N -1 3 311.381 3.111 20 10 DGCDHM CCc1nn(C)c(CC)c1CNCc1c([O-])cccc1Cl ZINC000169284923 432071520 /nfs/dbraw/zinc/07/15/20/432071520.db2.gz NWENRHDCWLVOMV-UHFFFAOYSA-N -1 3 307.825 3.194 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCc2ccccc2[C@H]1CO ZINC000180282061 432082820 /nfs/dbraw/zinc/08/28/20/432082820.db2.gz IDBPAJHFPWKNTH-MRXNPFEDSA-N -1 3 303.789 3.137 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccccn2)c1[O-] ZINC000091701813 193093787 /nfs/dbraw/zinc/09/37/87/193093787.db2.gz WLALYMNPRNDYIK-NSHDSACASA-N -1 3 302.349 3.322 20 10 DGCDHM COc1cc(OC)c(CN(C)Cc2ccccc2[O-])c(OC)c1 ZINC000091974507 193134873 /nfs/dbraw/zinc/13/48/73/193134873.db2.gz JEFDLGWHQAQJOO-UHFFFAOYSA-N -1 3 317.385 3.050 20 10 DGCDHM C[C@H](N[C@@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997211 299384066 /nfs/dbraw/zinc/38/40/66/299384066.db2.gz YRAWUODMFQJFGU-TVQRCGJNSA-N -1 3 307.344 3.132 20 10 DGCDHM C[C@@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nncn1C ZINC000278664978 296149649 /nfs/dbraw/zinc/14/96/49/296149649.db2.gz IXRGPURGAWVBAL-JGVFFNPUSA-N -1 3 315.204 3.239 20 10 DGCDHM COc1cc(CN(C)Cc2cccc(F)c2[O-])cc(OC)c1 ZINC000272247732 130012239 /nfs/dbraw/zinc/01/22/39/130012239.db2.gz HTKGHGXDPAWTJN-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM Cc1nc2sccn2c1CN(C)Cc1cc(F)ccc1[O-] ZINC000272327218 130019867 /nfs/dbraw/zinc/01/98/67/130019867.db2.gz VNRDSYVVIUNJGR-UHFFFAOYSA-N -1 3 305.378 3.181 20 10 DGCDHM COc1ccc(OC)c(CN[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000273400663 130117494 /nfs/dbraw/zinc/11/74/94/130117494.db2.gz MXKDTQXIKFVJSM-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(Cl)nc2)c1 ZINC000273435605 130120234 /nfs/dbraw/zinc/12/02/34/130120234.db2.gz WVMQXAIFLNPQFK-SNVBAGLBSA-N -1 3 320.776 3.078 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(N(C)C)cc2)c1 ZINC000273456964 130123866 /nfs/dbraw/zinc/12/38/66/130123866.db2.gz PTSSWTVRCNJUCF-LBPRGKRZSA-N -1 3 314.385 3.418 20 10 DGCDHM C[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000273512989 130130795 /nfs/dbraw/zinc/13/07/95/130130795.db2.gz RZNLSGQAPVHSGM-OTYXRUKQSA-N -1 3 311.303 3.194 20 10 DGCDHM C[C@@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1cnn(C)c1 ZINC000273563785 130137369 /nfs/dbraw/zinc/13/73/69/130137369.db2.gz IUCJTWOJHGFIKU-ZJUUUORDSA-N -1 3 324.222 3.300 20 10 DGCDHM Cc1cc(CN[C@@H](C)c2ccc(Br)cc2[O-])n(C)n1 ZINC000284263369 131065013 /nfs/dbraw/zinc/06/50/13/131065013.db2.gz JAAWYFWETMXJDD-JTQLQIEISA-N -1 3 324.222 3.047 20 10 DGCDHM CC(=O)c1cc(F)cc(CNC(C)(C)c2c(C)noc2C)c1[O-] ZINC000285480427 131172108 /nfs/dbraw/zinc/17/21/08/131172108.db2.gz BLXKJAUDNHNHPL-UHFFFAOYSA-N -1 3 320.364 3.364 20 10 DGCDHM CC[C@@H](NCc1nnc2n1CCCCC2)c1ccc(F)cc1[O-] ZINC000285580823 131183510 /nfs/dbraw/zinc/18/35/10/131183510.db2.gz INCZLCLZKULTMT-CQSZACIVSA-N -1 3 318.396 3.090 20 10 DGCDHM COCCN(Cc1cccnc1)Cc1c([O-])cccc1Cl ZINC000289405781 131383516 /nfs/dbraw/zinc/38/35/16/131383516.db2.gz HCSLIKFKWTUDQH-UHFFFAOYSA-N -1 3 306.793 3.089 20 10 DGCDHM C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185122152 274524244 /nfs/dbraw/zinc/52/42/44/274524244.db2.gz VDCSXADDZVQGKQ-PZDALLCQSA-N -1 3 303.789 3.355 20 10 DGCDHM Cc1ccc(C)c(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109773565 431178660 /nfs/dbraw/zinc/17/86/60/431178660.db2.gz JYILSXDNHVHAHX-HNNXBMFYSA-N -1 3 312.413 3.468 20 10 DGCDHM Cn1cc([C@@H]2CSCCN2Cc2cc(Cl)ccc2[O-])cn1 ZINC000191738002 432296761 /nfs/dbraw/zinc/29/67/61/432296761.db2.gz VHRPJFWXRGEOPB-AWEZNQCLSA-N -1 3 323.849 3.069 20 10 DGCDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@@H]1CCCc2c1cnn2C ZINC000191431332 432263762 /nfs/dbraw/zinc/26/37/62/432263762.db2.gz JOHVIQRGSGBLSP-CYBMUJFWSA-N -1 3 323.799 3.428 20 10 DGCDHM CCOC(=O)CC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271731561 432422802 /nfs/dbraw/zinc/42/28/02/432422802.db2.gz NDCVDJVEZOHBFX-UHFFFAOYSA-N -1 3 311.809 3.211 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cc(F)ccc1[O-] ZINC000185350927 432494738 /nfs/dbraw/zinc/49/47/38/432494738.db2.gz IZRGUDQPFFKTHI-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM CN(Cc1nccn1C(F)F)Cc1c([O-])cccc1Cl ZINC000155005165 432534117 /nfs/dbraw/zinc/53/41/17/432534117.db2.gz FLQHRZIPFAMSLD-UHFFFAOYSA-N -1 3 301.724 3.269 20 10 DGCDHM CCN(Cc1cnn(C)c1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177094226 432585194 /nfs/dbraw/zinc/58/51/94/432585194.db2.gz BEDJFSPLQHZLOX-UHFFFAOYSA-N -1 3 321.808 3.004 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1cccc(F)c1 ZINC000186988646 432641852 /nfs/dbraw/zinc/64/18/52/432641852.db2.gz NHXHVUUFVNTIJK-CQSZACIVSA-N -1 3 301.317 3.214 20 10 DGCDHM Cc1ncc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000264585182 432660429 /nfs/dbraw/zinc/66/04/29/432660429.db2.gz DTTIDWNSFKMESH-OAHLLOKOSA-N -1 3 318.442 3.338 20 10 DGCDHM CCc1nn(C)c(CC)c1CN[C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187806188 432686551 /nfs/dbraw/zinc/68/65/51/432686551.db2.gz GNOBSLMEPCDPTE-JTQLQIEISA-N -1 3 323.387 3.380 20 10 DGCDHM C[C@H](C(=O)[O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000277114127 432830287 /nfs/dbraw/zinc/83/02/87/432830287.db2.gz AMEQYAAGHVEIRD-UGSOOPFHSA-N -1 3 311.381 3.173 20 10 DGCDHM C[C@H](C(=O)[O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000277111759 432830607 /nfs/dbraw/zinc/83/06/07/432830607.db2.gz AMEQYAAGHVEIRD-SCLBCKFNSA-N -1 3 311.381 3.173 20 10 DGCDHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000277111755 432830625 /nfs/dbraw/zinc/83/06/25/432830625.db2.gz AMEQYAAGHVEIRD-FZKQIMNGSA-N -1 3 311.381 3.173 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278257127 432891060 /nfs/dbraw/zinc/89/10/60/432891060.db2.gz PXICRCSNBUBMBU-UHFFFAOYSA-N -1 3 320.320 3.080 20 10 DGCDHM CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369210 432891759 /nfs/dbraw/zinc/89/17/59/432891759.db2.gz BYUNYPIBLQJQHP-DTWKUNHWSA-N -1 3 319.232 3.216 20 10 DGCDHM CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369215 432892300 /nfs/dbraw/zinc/89/23/00/432892300.db2.gz BYUNYPIBLQJQHP-RKDXNWHRSA-N -1 3 319.232 3.216 20 10 DGCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(C)c1 ZINC000278629581 432898615 /nfs/dbraw/zinc/89/86/15/432898615.db2.gz GSTYSFDGKHNWBH-UHFFFAOYSA-N -1 3 318.329 3.238 20 10 DGCDHM CN(Cc1cnc(Br)s1)Cc1ccccc1[O-] ZINC000290139372 433000000 /nfs/dbraw/zinc/00/00/00/433000000.db2.gz VQKZMPMEAJJJTE-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM CCOCc1nc([C@H](C)N[C@H](CC)c2ccccc2[O-])no1 ZINC000290140798 433000140 /nfs/dbraw/zinc/00/01/40/433000140.db2.gz KQIUWMQZFADWPY-WCQYABFASA-N -1 3 305.378 3.114 20 10 DGCDHM CN1Cc2ccccc2[C@@H](NCc2cc(Cl)ccc2[O-])C1 ZINC000374328417 433185956 /nfs/dbraw/zinc/18/59/56/433185956.db2.gz BWCZLKFZNMVANE-INIZCTEOSA-N -1 3 302.805 3.322 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](OCC3CC3)C2)c1[O-] ZINC000375320656 433427152 /nfs/dbraw/zinc/42/71/52/433427152.db2.gz RMGBVOSJSIQDRH-INIZCTEOSA-N -1 3 321.392 3.125 20 10 DGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cccnc2)c([O-])c1O ZINC000293898646 433917953 /nfs/dbraw/zinc/91/79/53/433917953.db2.gz RBPAHKXAVPJAGU-MRXNPFEDSA-N -1 3 312.369 3.025 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1[O-] ZINC000293933981 433932980 /nfs/dbraw/zinc/93/29/80/433932980.db2.gz HQSWKCFHILWABN-IRXDYDNUSA-N -1 3 323.820 3.198 20 10 DGCDHM Cc1ccc(C(=O)N2Cc3cccc(Cl)c3C2)c([O-])c1O ZINC000366155180 434344203 /nfs/dbraw/zinc/34/42/03/434344203.db2.gz GXPMTVKYSQWGFQ-UHFFFAOYSA-N -1 3 303.745 3.216 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278403383 334096077 /nfs/dbraw/zinc/09/60/77/334096077.db2.gz OPBBWOZGMKOOCK-GWCFXTLKSA-N -1 3 323.742 3.181 20 10 DGCDHM CCCOc1ccc(CN2CCC[C@H]2c2nc(C)no2)c([O-])c1 ZINC000289845637 334168376 /nfs/dbraw/zinc/16/83/76/334168376.db2.gz PSARWEPOBPTGOD-HNNXBMFYSA-N -1 3 317.389 3.210 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC([C@H]3CCCO3)CC2)c1[O-] ZINC000189119368 518283039 /nfs/dbraw/zinc/28/30/39/518283039.db2.gz CMOVNBJXKAVUIB-QGZVFWFLSA-N -1 3 321.392 3.125 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCCO3)CC2)c1[O-] ZINC000189119346 518283429 /nfs/dbraw/zinc/28/34/29/518283429.db2.gz CMOVNBJXKAVUIB-KRWDZBQOSA-N -1 3 321.392 3.125 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCCC3(CCOCC3)C2)c1[O-] ZINC000267473939 518284264 /nfs/dbraw/zinc/28/42/64/518284264.db2.gz ZWYGJXZIJVCUMN-UHFFFAOYSA-N -1 3 321.392 3.127 20 10 DGCDHM CCCOc1ccc(CN(C)Cc2ncc(Cl)n2C)c([O-])c1 ZINC000181144448 520346179 /nfs/dbraw/zinc/34/61/79/520346179.db2.gz LGPWOVXEPTYXQU-UHFFFAOYSA-N -1 3 323.824 3.200 20 10 DGCDHM C[S@@](=O)C[C@H](NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099748 525368081 /nfs/dbraw/zinc/36/80/81/525368081.db2.gz IJYKAEOPHJBUSM-YCRPNKLZSA-N -1 3 323.845 3.255 20 10 DGCDHM C[C@H](NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1[O-] ZINC000191181665 525452738 /nfs/dbraw/zinc/45/27/38/525452738.db2.gz APDJNVCQKIHKQV-VIFPVBQESA-N -1 3 307.296 3.250 20 10 DGCDHM Cc1ccc(C(=O)N(Cc2cccc(F)c2)C2CC2)c([O-])c1O ZINC000181864689 526074908 /nfs/dbraw/zinc/07/49/08/526074908.db2.gz LHHLDAALNLLMJU-UHFFFAOYSA-N -1 3 315.344 3.350 20 10 DGCDHM Cc1ccc(C(=O)Nc2c(C)cc(N(C)C)cc2C)c([O-])c1O ZINC000182892817 526216890 /nfs/dbraw/zinc/21/68/90/526216890.db2.gz GLMMDHNEXBGGAX-UHFFFAOYSA-N -1 3 314.385 3.341 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000180060212 526348332 /nfs/dbraw/zinc/34/83/32/526348332.db2.gz KAVSDPDXIYSZPH-QGZVFWFLSA-N -1 3 305.324 3.244 20 10 DGCDHM COC1(C(F)(F)F)CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001561023850 1189422094 /nfs/dbraw/zinc/42/20/94/1189422094.db2.gz BAYRDNBQBHLMGT-UHFFFAOYSA-N -1 3 309.715 3.117 20 10 DGCDHM CCOC1CC2(C1)CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000285462101 535398241 /nfs/dbraw/zinc/39/82/41/535398241.db2.gz JTUANVLYTJDXQV-UHFFFAOYSA-N -1 3 321.392 3.125 20 10 DGCDHM CCNC(=O)[C@H](C)N[C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887828 535404891 /nfs/dbraw/zinc/40/48/91/535404891.db2.gz ISNOPZHSIWHQAA-UFBFGSQYSA-N -1 3 319.232 3.264 20 10 DGCDHM CCCN(Cc1cc(F)cc(F)c1[O-])[C@@H](CC)C(=O)OCC ZINC001658849500 1196309935 /nfs/dbraw/zinc/30/99/35/1196309935.db2.gz ZAMSPIJRFXLVTP-AWEZNQCLSA-N -1 3 315.360 3.224 20 10 DGCDHM C[C@@H]1CCc2ccccc2N1C(=O)CN(C)Cc1ccccc1[O-] ZINC000731843868 574560330 /nfs/dbraw/zinc/56/03/30/574560330.db2.gz ZTEULFMVCHYVQR-OAHLLOKOSA-N -1 3 324.424 3.192 20 10 DGCDHM CCN(CCNC(=O)c1cc([O-])cs1)c1cccc(C)c1 ZINC000731861753 574560461 /nfs/dbraw/zinc/56/04/61/574560461.db2.gz MRCZYYAPVNCWKX-UHFFFAOYSA-N -1 3 304.415 3.018 20 10 DGCDHM O=C(NC[C@H](c1ccccc1)N1CCCC1)c1cc([O-])cs1 ZINC000731865352 574560525 /nfs/dbraw/zinc/56/05/25/574560525.db2.gz CAHOHUDDFGNEKZ-OAHLLOKOSA-N -1 3 316.426 3.021 20 10 DGCDHM CC(C)[C@@H](NC(=O)c1cc([O-])cs1)c1nc2ccccc2[nH]1 ZINC000732266394 574569374 /nfs/dbraw/zinc/56/93/74/574569374.db2.gz ATXIHAMSFQAHEN-CQSZACIVSA-N -1 3 315.398 3.457 20 10 DGCDHM CCCOCc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000732273429 574569789 /nfs/dbraw/zinc/56/97/89/574569789.db2.gz WESMYAMVKDDHLF-UHFFFAOYSA-N -1 3 305.399 3.310 20 10 DGCDHM C[C@H](Cc1nc2ccccc2s1)NC(=O)c1cc([O-])cs1 ZINC000732278278 574570259 /nfs/dbraw/zinc/57/02/59/574570259.db2.gz GGLMIWGIRLFEIV-SECBINFHSA-N -1 3 318.423 3.424 20 10 DGCDHM CCc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352728 574572076 /nfs/dbraw/zinc/57/20/76/574572076.db2.gz DGWAZJYNRJNGNO-JTQLQIEISA-N -1 3 319.382 3.200 20 10 DGCDHM O=C(COC(=O)c1cc([O-])cs1)c1ccc(Cl)s1 ZINC000732353016 574572255 /nfs/dbraw/zinc/57/22/55/574572255.db2.gz KIKSANGBFAETKQ-UHFFFAOYSA-N -1 3 302.760 3.208 20 10 DGCDHM Cn1c(CNCc2c([O-])cccc2Cl)nc2cc(F)ccc21 ZINC000736358029 574745702 /nfs/dbraw/zinc/74/57/02/574745702.db2.gz PLJJTKSUPPDSDJ-UHFFFAOYSA-N -1 3 319.767 3.361 20 10 DGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C ZINC000740701106 574939729 /nfs/dbraw/zinc/93/97/29/574939729.db2.gz RXOVQQMYZXOQNI-UHFFFAOYSA-N -1 3 321.398 3.209 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000743259503 575040529 /nfs/dbraw/zinc/04/05/29/575040529.db2.gz BECASQZHDUOJIK-UHFFFAOYSA-N -1 3 314.366 3.050 20 10 DGCDHM O=C(NCc1ccc(-c2cccnc2)cc1)c1cc([O-])cs1 ZINC000743810360 575064119 /nfs/dbraw/zinc/06/41/19/575064119.db2.gz VYCSXMHXELVZKH-UHFFFAOYSA-N -1 3 310.378 3.446 20 10 DGCDHM CCOc1ccccc1OCCOC(=O)c1cc([O-])cs1 ZINC000745002190 575368655 /nfs/dbraw/zinc/36/86/55/575368655.db2.gz INQAKIGNHBTCNB-UHFFFAOYSA-N -1 3 308.355 3.088 20 10 DGCDHM CCOc1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751533444 575789525 /nfs/dbraw/zinc/78/95/25/575789525.db2.gz NYJOKNJXXNOVJT-LBPRGKRZSA-N -1 3 315.369 3.296 20 10 DGCDHM COCCOc1ccccc1CNCc1cc(Cl)ccc1[O-] ZINC000725847394 575929243 /nfs/dbraw/zinc/92/92/43/575929243.db2.gz JUGNZVLNAUPUDM-UHFFFAOYSA-N -1 3 321.804 3.361 20 10 DGCDHM CCc1nccn1[C@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890761665 617657761 /nfs/dbraw/zinc/65/77/61/617657761.db2.gz VKIONCLNNDZOGZ-LLVKDONJSA-N -1 3 321.808 3.072 20 10 DGCDHM Cc1ccc(C[C@H](C)NC(=O)NCc2c([O-])cccc2F)s1 ZINC000919666374 620759985 /nfs/dbraw/zinc/75/99/85/620759985.db2.gz COTZMHYIDYYTBX-JTQLQIEISA-N -1 3 322.405 3.332 20 10 DGCDHM CN1CCOc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000132967521 618004129 /nfs/dbraw/zinc/00/41/29/618004129.db2.gz VUDCRVWOYZMUHO-UHFFFAOYSA-N -1 3 304.777 3.486 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@]2(C1)OCc1ccccc12 ZINC000894480886 618350279 /nfs/dbraw/zinc/35/02/79/618350279.db2.gz RIIZBOXJTOJWFQ-GOSISDBHSA-N -1 3 317.335 3.302 20 10 DGCDHM COCCN(Cc1cccs1)Cc1cc(F)cc(F)c1[O-] ZINC000893911683 618674883 /nfs/dbraw/zinc/67/48/83/618674883.db2.gz QNOAKEXOKIXYGB-UHFFFAOYSA-N -1 3 313.369 3.381 20 10 DGCDHM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894093003 618708373 /nfs/dbraw/zinc/70/83/73/618708373.db2.gz ATFNBTKLWKIZGL-HNNXBMFYSA-N -1 3 307.344 3.049 20 10 DGCDHM CN(Cc1cc(Cl)cn1C)Cc1cc(F)cc(F)c1[O-] ZINC000894095314 618709080 /nfs/dbraw/zinc/70/90/80/618709080.db2.gz QTZONTFGZLFQLE-UHFFFAOYSA-N -1 3 300.736 3.294 20 10 DGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1C(C)C ZINC000928709938 619059506 /nfs/dbraw/zinc/05/95/06/619059506.db2.gz ODGOVBDOWDBTMJ-UHFFFAOYSA-N -1 3 304.365 3.461 20 10 DGCDHM COC(=O)c1cc(CNCc2cccc(Cl)c2[O-])oc1C ZINC000898218343 619222359 /nfs/dbraw/zinc/22/23/59/619222359.db2.gz FHIHVSWYOCPROL-UHFFFAOYSA-N -1 3 309.749 3.023 20 10 DGCDHM C[C@@H](NCc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1[O-] ZINC000927108381 619266694 /nfs/dbraw/zinc/26/66/94/619266694.db2.gz NQCGNBADVMUBTG-SECBINFHSA-N -1 3 307.344 3.132 20 10 DGCDHM CCCc1ccccc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000901629190 619525455 /nfs/dbraw/zinc/52/54/55/619525455.db2.gz HDVIIYPAAVFHLL-UHFFFAOYSA-N -1 3 305.399 3.454 20 10 DGCDHM C[C@@H](NCc1cc(C(F)(F)F)n(C)n1)c1ccc(F)cc1[O-] ZINC000903342113 619760650 /nfs/dbraw/zinc/76/06/50/619760650.db2.gz WTNPEYVWFZSXHU-MRVPVSSYSA-N -1 3 317.286 3.134 20 10 DGCDHM Cc1ncc(CNCc2cc(C)cc(Br)c2[O-])o1 ZINC000839169799 621342134 /nfs/dbraw/zinc/34/21/34/621342134.db2.gz JHGHUAJZOUCHKO-UHFFFAOYSA-N -1 3 311.179 3.049 20 10 DGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1[C@H](C)C1CC1 ZINC000752820393 621411879 /nfs/dbraw/zinc/41/18/79/621411879.db2.gz MALBPKLBRUGKDY-LLVKDONJSA-N -1 3 315.373 3.134 20 10 DGCDHM Cc1ccn2cc(CN[C@H](C)c3cc(F)cc(F)c3[O-])nc2c1 ZINC000756533441 621645363 /nfs/dbraw/zinc/64/53/63/621645363.db2.gz HQJWTJKPMGHDDF-LLVKDONJSA-N -1 3 317.339 3.477 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cc(C(C)C)no2)c1 ZINC000756573876 621650289 /nfs/dbraw/zinc/65/02/89/621650289.db2.gz SOIWPIZMBFTLMR-LLVKDONJSA-N -1 3 318.373 3.141 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(OC)c(F)c2)c1 ZINC000756800637 621665726 /nfs/dbraw/zinc/66/57/26/621665726.db2.gz ALHGRIOUHYXHIL-SNVBAGLBSA-N -1 3 319.332 3.500 20 10 DGCDHM Cc1ccnc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)c1 ZINC000120902542 622046262 /nfs/dbraw/zinc/04/62/62/622046262.db2.gz UQQYMSXYGRSDGV-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2ccsc2)CC1 ZINC000768207310 622445656 /nfs/dbraw/zinc/44/56/56/622445656.db2.gz BUFZNMMUWGGFDG-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Cl)CCN1CC(F)F ZINC000769513380 622536769 /nfs/dbraw/zinc/53/67/69/622536769.db2.gz BYKQHVDIOKHZLS-NSHDSACASA-N -1 3 318.795 3.207 20 10 DGCDHM CN(Cc1cccc(O)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000771934713 622820385 /nfs/dbraw/zinc/82/03/85/622820385.db2.gz CPEFIZNEUPPSLK-UHFFFAOYSA-N -1 3 322.748 3.291 20 10 DGCDHM Cc1nccnc1[C@@H](C)NCc1c([O-])cccc1Br ZINC000873186639 623066739 /nfs/dbraw/zinc/06/67/39/623066739.db2.gz TWQJSNQGAHPXIN-SNVBAGLBSA-N -1 3 322.206 3.104 20 10 DGCDHM COc1c([O-])c(CNc2cccc3cc[nH]c32)ccc1[N+](=O)[O-] ZINC000775078380 623228369 /nfs/dbraw/zinc/22/83/69/623228369.db2.gz YIXMCAPWNDDBNW-UHFFFAOYSA-N -1 3 313.313 3.402 20 10 DGCDHM CC(C)CO[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737717 623321948 /nfs/dbraw/zinc/32/19/48/623321948.db2.gz KCJHWDJFKPMDLO-ZDUSSCGKSA-N -1 3 301.789 3.432 20 10 DGCDHM [O-]c1c(Cl)cccc1CNCc1nccn1CC(F)(F)F ZINC000776165778 623387097 /nfs/dbraw/zinc/38/70/97/623387097.db2.gz WNFCZHOLZHNLFM-UHFFFAOYSA-N -1 3 319.714 3.094 20 10 DGCDHM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc(O)c1[O-] ZINC000776343077 623415030 /nfs/dbraw/zinc/41/50/30/623415030.db2.gz OBRUONBXTWXBIG-UHFFFAOYSA-N -1 3 323.352 3.494 20 10 DGCDHM C[C@@H]1CCN2[C@H](c3cc(-c4ccccc4)ccc3[O-])NC(=O)[C@@H]2C1 ZINC000777901500 623583074 /nfs/dbraw/zinc/58/30/74/623583074.db2.gz YXWDROSLVMXRIN-XVGQJIODSA-N -1 3 322.408 3.288 20 10 DGCDHM COc1ccc(CN(C)Cc2ccc(F)c(F)c2[O-])cc1OC ZINC000876535997 623637181 /nfs/dbraw/zinc/63/71/81/623637181.db2.gz SPSLUTKVHHXRNQ-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM CN(Cc1ccn(-c2ccccc2)n1)Cc1cc(F)ccc1[O-] ZINC000778999596 623719441 /nfs/dbraw/zinc/71/94/41/623719441.db2.gz IHWMTHATKYZAOR-UHFFFAOYSA-N -1 3 311.360 3.349 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC000779148219 623735136 /nfs/dbraw/zinc/73/51/36/623735136.db2.gz GYBCNLOWEXVILV-CABZTGNLSA-N -1 3 302.187 3.335 20 10 DGCDHM CC(C)COc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790575082 625672156 /nfs/dbraw/zinc/67/21/56/625672156.db2.gz DPZYUEKUDXXRTK-UHFFFAOYSA-N -1 3 315.369 3.063 20 10 DGCDHM COC(=O)c1oc(CNCc2cccc(Cl)c2[O-])cc1C ZINC000877693604 623993630 /nfs/dbraw/zinc/99/36/30/623993630.db2.gz LVFGCMIDKKBZJZ-UHFFFAOYSA-N -1 3 309.749 3.023 20 10 DGCDHM COc1ccc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc2n1 ZINC000780927195 623999320 /nfs/dbraw/zinc/99/93/20/623999320.db2.gz OVVDPKXAJRCJAF-UHFFFAOYSA-N -1 3 324.336 3.215 20 10 DGCDHM CC(C)(O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000877752174 624020110 /nfs/dbraw/zinc/02/01/10/624020110.db2.gz NVDVWGRRWQXUCY-UHFFFAOYSA-N -1 3 301.789 3.168 20 10 DGCDHM O=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1[O-] ZINC000790767476 625694487 /nfs/dbraw/zinc/69/44/87/625694487.db2.gz LJSCYFBWTYDNJW-SKDRFNHKSA-N -1 3 321.735 3.176 20 10 DGCDHM Cc1nc2cc(NC(=O)c3cccc(O)c3[O-])ccc2s1 ZINC000790927433 625715755 /nfs/dbraw/zinc/71/57/55/625715755.db2.gz HFINPVDYIXXIFQ-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM CC(C)(C)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1O ZINC000792174128 625919742 /nfs/dbraw/zinc/91/97/42/625919742.db2.gz LRHISUKEEXDZRQ-SMDDNHRTSA-N -1 3 315.816 3.414 20 10 DGCDHM Cc1ccc(CN(CCO)Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000792174680 625921012 /nfs/dbraw/zinc/92/10/12/625921012.db2.gz YZOJJCUUYORLPP-UHFFFAOYSA-N -1 3 323.795 3.488 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN[C@H]1CCOc2c(F)cccc21 ZINC000883099204 625926482 /nfs/dbraw/zinc/92/64/82/625926482.db2.gz MQKUBTICYUZEFS-AWEZNQCLSA-N -1 3 309.287 3.423 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H](CCO)c1ccccc1F ZINC000883152630 625945834 /nfs/dbraw/zinc/94/58/34/625945834.db2.gz BMISGFLYNUAKEF-HNNXBMFYSA-N -1 3 311.303 3.023 20 10 DGCDHM CC[C@@H](NCC(F)(F)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237794 626991484 /nfs/dbraw/zinc/99/14/84/626991484.db2.gz WGSXFZFHQGEQJN-SNVBAGLBSA-N -1 3 313.266 3.079 20 10 DGCDHM CC[C@H](NCC(F)(F)CO)c1ccc(C(F)(F)F)cc1[O-] ZINC000810237793 626991537 /nfs/dbraw/zinc/99/15/37/626991537.db2.gz WGSXFZFHQGEQJN-JTQLQIEISA-N -1 3 313.266 3.079 20 10 DGCDHM Cc1cc(N(C)C)ccc1CNC(=O)c1cc([O-])ccc1Cl ZINC000810411481 627004943 /nfs/dbraw/zinc/00/49/43/627004943.db2.gz OFBZOCMTDJKOTN-UHFFFAOYSA-N -1 3 318.804 3.350 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)ccc1O ZINC000136493167 627092659 /nfs/dbraw/zinc/09/26/59/627092659.db2.gz DFLKFNGFZGFMDP-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1c([O-])cccc1F ZINC000886497013 627153186 /nfs/dbraw/zinc/15/31/86/627153186.db2.gz OMNVTMQAALMNCB-GFCCVEGCSA-N -1 3 316.376 3.084 20 10 DGCDHM C[C@H](NCc1nccn1CC(F)(F)F)c1c([O-])cccc1F ZINC000886522244 627155996 /nfs/dbraw/zinc/15/59/96/627155996.db2.gz FSRQCSJVPMHBDN-VIFPVBQESA-N -1 3 317.286 3.141 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC(O)(c2ccc(Cl)cc2)C1 ZINC000811509018 627284508 /nfs/dbraw/zinc/28/45/08/627284508.db2.gz IYZPKQBZYOKDCE-UHFFFAOYSA-N -1 3 324.207 3.402 20 10 DGCDHM COc1cc(Cl)c(NC(=O)c2cccc(O)c2[O-])cc1C ZINC000813874733 627517797 /nfs/dbraw/zinc/51/77/97/627517797.db2.gz IYDFHHJIPYHVTP-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM CC(C)CO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816520147 627801908 /nfs/dbraw/zinc/80/19/08/627801908.db2.gz HNFNSTGRROKXOR-GFCCVEGCSA-N -1 3 301.789 3.432 20 10 DGCDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816530434 627803593 /nfs/dbraw/zinc/80/35/93/627803593.db2.gz ICZSIVOLGZVDSQ-VIFPVBQESA-N -1 3 320.755 3.078 20 10 DGCDHM Cc1ccn2cc(CNCc3cc(Cl)c(F)cc3[O-])nc2c1 ZINC000816548685 627805887 /nfs/dbraw/zinc/80/58/87/627805887.db2.gz PGHQKMQWQLAFKA-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM CCSc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000816983480 627845747 /nfs/dbraw/zinc/84/57/47/627845747.db2.gz ZSPWGRUBDJUHKL-UHFFFAOYSA-N -1 3 303.383 3.140 20 10 DGCDHM C[C@H](NCc1cccc2c1OCC2)c1cc(F)cc(F)c1[O-] ZINC000927089523 628012018 /nfs/dbraw/zinc/01/20/18/628012018.db2.gz CMWOXBHJVGRYHP-JTQLQIEISA-N -1 3 305.324 3.456 20 10 DGCDHM CC(C)O[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC000928706606 628179479 /nfs/dbraw/zinc/17/94/79/628179479.db2.gz RNWYSLYJURLHTA-QGZVFWFLSA-N -1 3 317.360 3.314 20 10 DGCDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@H](CO)c1ccccc1 ZINC000824696393 628684924 /nfs/dbraw/zinc/68/49/24/628684924.db2.gz MHCNTZVTEBXXHB-CQSZACIVSA-N -1 3 309.768 3.350 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@H](C(F)(F)F)C2)cc1Cl ZINC000824850739 628699971 /nfs/dbraw/zinc/69/99/71/628699971.db2.gz PNDQZOLQMMEDON-LBPRGKRZSA-N -1 3 309.715 3.117 20 10 DGCDHM COCCCn1cc(C)c(NCc2c([O-])cccc2Cl)n1 ZINC000826686072 628873150 /nfs/dbraw/zinc/87/31/50/628873150.db2.gz JLZQLKWHOSVASS-UHFFFAOYSA-N -1 3 309.797 3.199 20 10 DGCDHM CCOc1ccc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000830074929 629222748 /nfs/dbraw/zinc/22/27/48/629222748.db2.gz AJJJYQSEDJLFAO-KCXAZCMYSA-N -1 3 319.401 3.009 20 10 DGCDHM CCOc1ccc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000830074929 629222751 /nfs/dbraw/zinc/22/27/51/629222751.db2.gz AJJJYQSEDJLFAO-KCXAZCMYSA-N -1 3 319.401 3.009 20 10 DGCDHM CCn1ccnc1CN[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834880372 629796167 /nfs/dbraw/zinc/79/61/67/629796167.db2.gz WGNKSCSXLVYNHW-SNVBAGLBSA-N -1 3 313.323 3.478 20 10 DGCDHM CCOC(=O)c1ccc(CNCc2c([O-])cc(C)cc2Cl)o1 ZINC000840949305 630383425 /nfs/dbraw/zinc/38/34/25/630383425.db2.gz UQZOPXTYNSMDHH-UHFFFAOYSA-N -1 3 323.776 3.414 20 10 DGCDHM C[C@@H](C(=O)OC(C)(C)C)N(Cc1cc(F)ccc1[O-])C1CC1 ZINC000840958736 630386242 /nfs/dbraw/zinc/38/62/42/630386242.db2.gz RQCATWYLMLXVDW-NSHDSACASA-N -1 3 309.381 3.226 20 10 DGCDHM C[C@@H](Nc1ccc(N(C)CCO)cn1)c1ccc(Cl)cc1[O-] ZINC000841749374 630461832 /nfs/dbraw/zinc/46/18/32/630461832.db2.gz DLRKBVAZNQGZTJ-LLVKDONJSA-N -1 3 321.808 3.042 20 10 DGCDHM COCc1nc(CN[C@H](C)c2ccc(Cl)cc2[O-])cs1 ZINC000841753262 630462456 /nfs/dbraw/zinc/46/24/56/630462456.db2.gz FTHMWFXUDLAAKF-SECBINFHSA-N -1 3 312.822 3.499 20 10 DGCDHM C[C@H](O)[C@@H](NCc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017769 631206380 /nfs/dbraw/zinc/20/63/80/631206380.db2.gz PVDXCXIJOOMNQU-ZUZCIYMTSA-N -1 3 309.768 3.396 20 10 DGCDHM [O-]c1ccc(F)cc1CN[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000848928188 631792150 /nfs/dbraw/zinc/79/21/50/631792150.db2.gz WWZZJEVBOBYFAM-AAEUAGOBSA-N -1 3 307.287 3.121 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccn(C2CCOCC2)n1 ZINC000850384840 632134856 /nfs/dbraw/zinc/13/48/56/632134856.db2.gz RKVGWRAUYTUUNR-UHFFFAOYSA-N -1 3 307.781 3.206 20 10 DGCDHM Cc1csc(CNCc2c([O-])cccc2Br)n1 ZINC000706821696 660873837 /nfs/dbraw/zinc/87/38/37/660873837.db2.gz MTCFQEZPRIDKGE-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)[C@H](C)CO1 ZINC000707143452 660887980 /nfs/dbraw/zinc/88/79/80/660887980.db2.gz SHQUEZHEJBJJKV-GHMZBOCLSA-N -1 3 314.223 3.154 20 10 DGCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c2cccnc12 ZINC000179451151 655893108 /nfs/dbraw/zinc/89/31/08/655893108.db2.gz SHFBOTCWABHSOF-UHFFFAOYSA-N -1 3 324.336 3.215 20 10 DGCDHM CCC(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000182074950 656102564 /nfs/dbraw/zinc/10/25/64/656102564.db2.gz UQWVEKBEJVVRIJ-UHFFFAOYSA-N -1 3 314.341 3.007 20 10 DGCDHM Cc1csc(CNCc2cccc(Br)c2[O-])n1 ZINC000042412577 658774302 /nfs/dbraw/zinc/77/43/02/658774302.db2.gz UUWZOWPSOTUNNG-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c([O-])c1O ZINC000182337078 660044787 /nfs/dbraw/zinc/04/47/87/660044787.db2.gz VKMBILMYNWOKMQ-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM C[C@@H](C1CC1)n1nccc1NC(=O)NCc1c([O-])cccc1F ZINC000930919143 661438770 /nfs/dbraw/zinc/43/87/70/661438770.db2.gz HUVRSXOKWBATMH-JTQLQIEISA-N -1 3 318.352 3.021 20 10 DGCDHM CC[C@@H](NCc1cocn1)c1cc(Br)ccc1[O-] ZINC000397997557 685233879 /nfs/dbraw/zinc/23/38/79/685233879.db2.gz QZEUOUOTHJDEIH-GFCCVEGCSA-N -1 3 311.179 3.384 20 10 DGCDHM CC(C)(C)Oc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC001586993953 1192362193 /nfs/dbraw/zinc/36/21/93/1192362193.db2.gz URLPTWGXHKWSTJ-UHFFFAOYSA-N -1 3 315.369 3.205 20 10 DGCDHM C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccsc1 ZINC001589952357 1192478278 /nfs/dbraw/zinc/47/82/78/1192478278.db2.gz NNQAIDJNEPMGTL-NXEZZACHSA-N -1 3 315.402 3.046 20 10 DGCDHM CC(C)c1nnc([C@@H](C)NCc2cc(Cl)cc(F)c2[O-])[nH]1 ZINC001620890202 1192557389 /nfs/dbraw/zinc/55/73/89/1192557389.db2.gz CAKNCUSVMJNJPS-MRVPVSSYSA-N -1 3 312.776 3.277 20 10 DGCDHM CC(C)c1nc([C@@H](C)NCc2cc(Cl)cc(F)c2[O-])n[nH]1 ZINC001620890202 1192557392 /nfs/dbraw/zinc/55/73/92/1192557392.db2.gz CAKNCUSVMJNJPS-MRVPVSSYSA-N -1 3 312.776 3.277 20 10 DGCDHM CCCN(C)c1nnc(-c2sc3ncccc3c2[O-])n1CC ZINC001353729062 1180636476 /nfs/dbraw/zinc/63/64/76/1180636476.db2.gz ROFDVWSGBFHRDI-UHFFFAOYSA-N -1 3 317.418 3.127 20 10 DGCDHM CC(C)c1[nH]c(C[NH2+][C@H](C)c2ccccc2[O-])cc1C(=O)[O-] ZINC001603987561 1193040967 /nfs/dbraw/zinc/04/09/67/1193040967.db2.gz JVIQBZQNYYZUCQ-LLVKDONJSA-N -1 3 302.374 3.393 20 10 DGCDHM C[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])CC(F)(F)F ZINC001604184180 1193059017 /nfs/dbraw/zinc/05/90/17/1193059017.db2.gz HTBMFJNLTKKYHV-RKDXNWHRSA-N -1 3 305.296 3.330 20 10 DGCDHM C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326288 1193065505 /nfs/dbraw/zinc/06/55/05/1193065505.db2.gz GNKJTAZBQXQKSU-BLLLJJGKSA-N -1 3 311.381 3.299 20 10 DGCDHM CCOc1ccc(N(CC)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001604459938 1193073681 /nfs/dbraw/zinc/07/36/81/1193073681.db2.gz IBUAOGPVULOCKG-UHFFFAOYSA-N -1 3 323.400 3.292 20 10 DGCDHM CCOc1ccc(N(CC)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001604459938 1193073684 /nfs/dbraw/zinc/07/36/84/1193073684.db2.gz IBUAOGPVULOCKG-UHFFFAOYSA-N -1 3 323.400 3.292 20 10 DGCDHM CC[C@H]([NH2+]Cc1cc(C(=O)[O-])c(C)n1C)c1ccc(C)cc1[O-] ZINC001605098635 1193113091 /nfs/dbraw/zinc/11/30/91/1193113091.db2.gz HDJXFJDAOYQHPT-INIZCTEOSA-N -1 3 316.401 3.287 20 10 DGCDHM CC[C@@H]([NH2+]Cc1cc(C(=O)[O-])c(C)n1C)c1ccc(C)cc1[O-] ZINC001605098636 1193113256 /nfs/dbraw/zinc/11/32/56/1193113256.db2.gz HDJXFJDAOYQHPT-MRXNPFEDSA-N -1 3 316.401 3.287 20 10 DGCDHM O=C(NC1(c2ccc(F)cc2)CCCC1)c1cccc(O)c1[O-] ZINC001443234476 1182098509 /nfs/dbraw/zinc/09/85/09/1182098509.db2.gz CCZDRQCHRRXFJS-UHFFFAOYSA-N -1 3 315.344 3.436 20 10 DGCDHM CC1(C)CC[C@@H](CO)N(Cc2c([O-])ccc(Cl)c2F)C1 ZINC001653016548 1195680906 /nfs/dbraw/zinc/68/09/06/1195680906.db2.gz BMAJGBZCVIYOHM-JTQLQIEISA-N -1 3 301.789 3.168 20 10 DGCDHM CCc1oc(CN[C@@H](C)c2cc(OC)ccc2O)cc1C(=O)[O-] ZINC001605891829 1193183149 /nfs/dbraw/zinc/18/31/49/1193183149.db2.gz IQJHPZFCZGCCHN-JTQLQIEISA-N -1 3 319.357 3.105 20 10 DGCDHM Cc1ccc(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)cc1 ZINC001461993883 1182891647 /nfs/dbraw/zinc/89/16/47/1182891647.db2.gz WVXIEYXVFINOGJ-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](Oc2ccccc2)C1 ZINC001462391396 1182947220 /nfs/dbraw/zinc/94/72/20/1182947220.db2.gz XYMYVKDQSRVVLD-HNNXBMFYSA-N -1 3 305.324 3.324 20 10 DGCDHM CCC(CC)(CNC(=O)NCc1c([O-])cccc1F)SC ZINC001469069103 1183380656 /nfs/dbraw/zinc/38/06/56/1183380656.db2.gz LGKNLCLCCXPSRB-UHFFFAOYSA-N -1 3 314.426 3.252 20 10 DGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001469210366 1183391517 /nfs/dbraw/zinc/39/15/17/1183391517.db2.gz BEMUKTYOYWLPPE-SECBINFHSA-N -1 3 324.302 3.370 20 10 DGCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1-c1cccc(C)c1 ZINC001469310481 1183398677 /nfs/dbraw/zinc/39/86/77/1183398677.db2.gz NAFCOKMPRBYQBL-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM COc1cccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1C ZINC001607323195 1193224378 /nfs/dbraw/zinc/22/43/78/1193224378.db2.gz CDMIUFQNVXZDCF-GFCCVEGCSA-N -1 3 315.369 3.258 20 10 DGCDHM CC(C)(C(=O)NCc1c([O-])cccc1F)c1cccc(F)c1 ZINC001471976317 1183603941 /nfs/dbraw/zinc/60/39/41/1183603941.db2.gz WKAUKOCTPVYDPO-UHFFFAOYSA-N -1 3 305.324 3.264 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC001471975714 1183604500 /nfs/dbraw/zinc/60/45/00/1183604500.db2.gz DSQKBLCLALNFBB-STQMWFEESA-N -1 3 303.308 3.090 20 10 DGCDHM Cc1ccc2cc(C(=O)NCc3c([O-])cccc3F)ccc2n1 ZINC001471975631 1183604535 /nfs/dbraw/zinc/60/45/35/1183604535.db2.gz AMBLKOMZXLHYBH-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474330736 1183904906 /nfs/dbraw/zinc/90/49/06/1183904906.db2.gz FJFWKWFHZSQAIU-HNNXBMFYSA-N -1 3 307.344 3.049 20 10 DGCDHM [O-]c1c(Cl)cccc1CN[C@H](CO)c1ccc(F)cc1F ZINC001474639925 1183954538 /nfs/dbraw/zinc/95/45/38/1183954538.db2.gz SRQFSMHXWOUVQZ-CQSZACIVSA-N -1 3 313.731 3.147 20 10 DGCDHM CC(C)c1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC001475707540 1184014905 /nfs/dbraw/zinc/01/49/05/1184014905.db2.gz UMVDQSZSQPDTPC-UHFFFAOYSA-N -1 3 323.389 3.133 20 10 DGCDHM Cc1ccc2c(c1)[C@@H](NC(=O)NCc1c([O-])cccc1F)CC2 ZINC001478912043 1184186695 /nfs/dbraw/zinc/18/66/95/1184186695.db2.gz IZPOSTKQGMBYMK-INIZCTEOSA-N -1 3 314.360 3.326 20 10 DGCDHM Cc1ccc([C@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1C ZINC001610495661 1193393397 /nfs/dbraw/zinc/39/33/97/1193393397.db2.gz RMUMPVPGDIAMEE-INIZCTEOSA-N -1 3 303.333 3.064 20 10 DGCDHM CC[C@H](C)Oc1cc(NCc2c([O-])cccc2F)nc(C)n1 ZINC001612950140 1193464734 /nfs/dbraw/zinc/46/47/34/1193464734.db2.gz GNBXXHUZKDVTPP-JTQLQIEISA-N -1 3 305.353 3.419 20 10 DGCDHM COc1cc(C)c(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC001557461748 1189065780 /nfs/dbraw/zinc/06/57/80/1189065780.db2.gz FNRVDIHWZGDVKY-UHFFFAOYSA-N -1 3 301.342 3.284 20 10 DGCDHM CSc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2O)c1 ZINC001557967259 1189094915 /nfs/dbraw/zinc/09/49/15/1189094915.db2.gz YINPKQQTTKOUJQ-SNVBAGLBSA-N -1 3 303.383 3.311 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cn2ccccc2n1 ZINC001560251636 1189299518 /nfs/dbraw/zinc/29/95/18/1189299518.db2.gz XNYVRLKIVAUOPG-UHFFFAOYSA-N -1 3 305.740 3.122 20 10 DGCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1nc2ccccc2n1C ZINC001560348918 1189315764 /nfs/dbraw/zinc/31/57/64/1189315764.db2.gz QPCFHCWFUZAZLQ-SNVBAGLBSA-N -1 3 317.339 3.408 20 10 DGCDHM COC[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccc(F)cc1 ZINC001560355359 1189316690 /nfs/dbraw/zinc/31/66/90/1189316690.db2.gz WXABIEGASYSUFU-OAHLLOKOSA-N -1 3 311.303 3.287 20 10 DGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC001560632892 1189352131 /nfs/dbraw/zinc/35/21/31/1189352131.db2.gz ZNSJXJVSZICILL-UFBFGSQYSA-N -1 3 309.715 3.197 20 10 DGCDHM COC(=O)c1ccc(NCc2ccc(Cl)cc2[O-])c(OC)c1 ZINC001560760743 1189376917 /nfs/dbraw/zinc/37/69/17/1189376917.db2.gz PQHBYPUBBAHLEE-UHFFFAOYSA-N -1 3 321.760 3.453 20 10 DGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@](C)(C(F)F)O1 ZINC001560938363 1189408629 /nfs/dbraw/zinc/40/86/29/1189408629.db2.gz CLYPNVZPGQAPQU-LKFCYVNXSA-N -1 3 305.752 3.290 20 10 DGCDHM CC(C)(C)c1ccc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC001565218726 1189630800 /nfs/dbraw/zinc/63/08/00/1189630800.db2.gz WHMCPCYCNVDZPN-UHFFFAOYSA-N -1 3 320.364 3.421 20 10 DGCDHM Cc1ccc2c(CC(=O)NCc3c([O-])cccc3F)c[nH]c2c1 ZINC001635360678 1194546725 /nfs/dbraw/zinc/54/67/25/1194546725.db2.gz QBCUOGRZUKGHCD-UHFFFAOYSA-N -1 3 312.344 3.180 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC001636314716 1194605901 /nfs/dbraw/zinc/60/59/01/1194605901.db2.gz WNNCMPSABQMPPX-QWHCGFSZSA-N -1 3 306.381 3.299 20 10 DGCDHM CCc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1OC ZINC001640860547 1194830784 /nfs/dbraw/zinc/83/07/84/1194830784.db2.gz PEADONSLNGELQX-UHFFFAOYSA-N -1 3 301.342 3.230 20 10 DGCDHM COC(=O)CN(CCC(C)(C)C)Cc1cc(Cl)ccc1[O-] ZINC001642071938 1194886576 /nfs/dbraw/zinc/88/65/76/1194886576.db2.gz MPNLPGAUDVNHRW-UHFFFAOYSA-N -1 3 313.825 3.457 20 10 DGCDHM CC(C)(C)Oc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC001644894451 1195140815 /nfs/dbraw/zinc/14/08/15/1195140815.db2.gz RELVWNUUCIRRBL-UHFFFAOYSA-N -1 3 315.369 3.205 20 10 DGCDHM O=C(CCCc1cc(F)ccc1F)NCc1c([O-])cccc1F ZINC001645048084 1195152718 /nfs/dbraw/zinc/15/27/18/1195152718.db2.gz GGRWGOXFJRVLDD-UHFFFAOYSA-N -1 3 323.314 3.449 20 10 DGCDHM [O-]c1c(CN2CC(Cc3ccc(F)cc3)C2)ccc(F)c1F ZINC001647050631 1195244408 /nfs/dbraw/zinc/24/44/08/1195244408.db2.gz PQPNKHSKMSOMSU-UHFFFAOYSA-N -1 3 307.315 3.484 20 10 DGCDHM O=C(NCc1c(O)cccc1F)c1cc2ccccc2cc1[O-] ZINC001652295148 1195576749 /nfs/dbraw/zinc/57/67/49/1195576749.db2.gz BWTBUKHJTLJXAE-UHFFFAOYSA-N -1 3 311.312 3.320 20 10 DGCDHM CSCc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001652295503 1195577412 /nfs/dbraw/zinc/57/74/12/1195577412.db2.gz LZGROEOPMFFGOW-UHFFFAOYSA-N -1 3 305.374 3.324 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1ccc(OCCCO)cc1 ZINC001652430377 1195597273 /nfs/dbraw/zinc/59/72/73/1195597273.db2.gz SKEJOPDIKSJMMC-UHFFFAOYSA-N -1 3 307.777 3.419 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001657602962 1196159961 /nfs/dbraw/zinc/15/99/61/1196159961.db2.gz PATPTCQAJURIRE-CLLJXQQHSA-N -1 3 323.820 3.067 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC001658675769 1196287785 /nfs/dbraw/zinc/28/77/85/1196287785.db2.gz OMRUVLHAGQEBEG-WMLDXEAASA-N -1 3 319.351 3.368 20 10 DGCDHM COc1cccc2c1nc(NCc1cc(F)c(F)cc1[O-])n2C ZINC001659147944 1196352095 /nfs/dbraw/zinc/35/20/95/1196352095.db2.gz ANCQBEVCOITWJZ-UHFFFAOYSA-N -1 3 319.311 3.178 20 10 DGCDHM CCOC(=O)[C@H](C)N(Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC001659477222 1196387655 /nfs/dbraw/zinc/38/76/55/1196387655.db2.gz PTPRABWSMRUBPX-NSHDSACASA-N -1 3 311.809 3.270 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1ccc(COCCO)cc1 ZINC001659503733 1196390253 /nfs/dbraw/zinc/39/02/53/1196390253.db2.gz OEFQLWZOLKYJSD-UHFFFAOYSA-N -1 3 307.777 3.167 20 10 DGCDHM C[C@H](O)[C@@H](NCc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585951 1196397586 /nfs/dbraw/zinc/39/75/86/1196397586.db2.gz FYMDOMFYAUCWPE-XXFAHNHDSA-N -1 3 311.303 3.021 20 10 DGCDHM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[O-] ZINC001659756723 1196411377 /nfs/dbraw/zinc/41/13/77/1196411377.db2.gz ZIIIYNULHKZYFI-UFBFGSQYSA-N -1 3 309.715 3.197 20 10 DGCDHM C[C@H]1CCCN(Cc2cccc(F)c2[O-])[C@@H]1C(=O)OC(C)(C)C ZINC001660080420 1196443460 /nfs/dbraw/zinc/44/34/60/1196443460.db2.gz GCQCTUKCFXFJKT-WFASDCNBSA-N -1 3 323.408 3.474 20 10 DGCDHM O=[N+]([O-])c1cc(Cl)ccc1CNCc1c([O-])cccc1F ZINC001665713110 1197180101 /nfs/dbraw/zinc/18/01/01/1197180101.db2.gz XFWXUEYJRVMXFJ-UHFFFAOYSA-N -1 3 310.712 3.383 20 10 DGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)c(F)c1 ZINC001679065315 1198756195 /nfs/dbraw/zinc/75/61/95/1198756195.db2.gz JJJXIZRICSRSRS-VIFPVBQESA-N -1 3 324.302 3.370 20 10 DGCDHM O=C(NCCCc1ccccc1F)NCc1c([O-])cccc1F ZINC001686344568 1199553220 /nfs/dbraw/zinc/55/32/20/1199553220.db2.gz FAHVTFDATBUVCR-UHFFFAOYSA-N -1 3 320.339 3.102 20 10 DGCDHM CC[C@H](C)C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001594954323 982685757 /nfs/dbraw/zinc/68/57/57/982685757.db2.gz XUQHDADMHXJFKP-CABZTGNLSA-N -1 3 315.797 3.033 20 10 DGCDHM CC[C@@H](C)C[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001594954325 982685878 /nfs/dbraw/zinc/68/58/78/982685878.db2.gz XUQHDADMHXJFKP-SKDRFNHKSA-N -1 3 315.797 3.033 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccccc1O[C@H](C)C(=O)[O-])c1ccccc1[O-] ZINC001593647928 995994785 /nfs/dbraw/zinc/99/47/85/995994785.db2.gz DWIKOTIZDVHQGA-CHWSQXEVSA-N -1 3 315.369 3.095 20 10 DGCDHM C[C@@H]1CC[C@H](CO)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078317 1099959848 /nfs/dbraw/zinc/95/98/48/1099959848.db2.gz PKKASFPHFNZABD-ZJUUUORDSA-N -1 3 304.217 3.292 20 10 DGCDHM Cc1noc([C@@H]2CCCCN2Cc2ccc(Cl)cc2[O-])n1 ZINC001181648000 1083505567 /nfs/dbraw/zinc/50/55/67/1083505567.db2.gz YREVADUVOHZYGL-ZDUSSCGKSA-N -1 3 307.781 3.464 20 10 DGCDHM C[C@H](NCc1ccc(Cl)cc1[O-])C(=O)OCc1ccccc1 ZINC001182626292 1083761407 /nfs/dbraw/zinc/76/14/07/1083761407.db2.gz XLLQJIDEHWGAMC-LBPRGKRZSA-N -1 3 319.788 3.267 20 10 DGCDHM Cc1ccccc1-n1cc(CNCc2c([O-])cccc2F)cn1 ZINC001183919979 1084067008 /nfs/dbraw/zinc/06/70/08/1084067008.db2.gz RQPKNGGTJDBIDD-UHFFFAOYSA-N -1 3 311.360 3.315 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1O ZINC001185520242 1084461026 /nfs/dbraw/zinc/46/10/26/1084461026.db2.gz BJJKITPEPBZVLD-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1cc(F)c(F)cc1[O-] ZINC001142509079 1087274792 /nfs/dbraw/zinc/27/47/92/1087274792.db2.gz WIZFLSVNHXQZFI-UHFFFAOYSA-N -1 3 321.323 3.074 20 10 DGCDHM CN1CCN(Cc2cc(F)c(F)cc2[O-])C[C@H]1c1ccccc1 ZINC001142520737 1087276518 /nfs/dbraw/zinc/27/65/18/1087276518.db2.gz OVBCYTZLEPSKFT-KRWDZBQOSA-N -1 3 318.367 3.159 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc3cc(Cl)ccc3[nH]2)c([O-])c1O ZINC001154232534 1088529029 /nfs/dbraw/zinc/52/90/29/1088529029.db2.gz QEDQTHNDRNVPJF-UHFFFAOYSA-N -1 3 317.732 3.188 20 10 DGCDHM Cc1cncnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168524342 1088654530 /nfs/dbraw/zinc/65/45/30/1088654530.db2.gz ZJPOVGKTEWDYDY-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM COc1cccc2c(C(=O)NCc3c([O-])cccc3F)coc21 ZINC001156170122 1089416584 /nfs/dbraw/zinc/41/65/84/1089416584.db2.gz HIEWJIIRTRFGLK-UHFFFAOYSA-N -1 3 315.300 3.216 20 10 DGCDHM CCc1ccc(C(=O)NCc2ccc3cccnc3c2O)c([O-])c1 ZINC001162612581 1089828394 /nfs/dbraw/zinc/82/83/94/1089828394.db2.gz MLAGLFRILNAUMA-UHFFFAOYSA-N -1 3 322.364 3.138 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001236792623 1089863915 /nfs/dbraw/zinc/86/39/15/1089863915.db2.gz GEJONENKFSAQHU-XPTSAGLGSA-N -1 3 304.217 3.292 20 10 DGCDHM CC(=O)[C@@H]1CCCCN1Cc1cc(Br)ccc1[O-] ZINC001203645490 1090772930 /nfs/dbraw/zinc/77/29/30/1090772930.db2.gz KYXPKYJKTHLRAZ-ZDUSSCGKSA-N -1 3 312.207 3.098 20 10 DGCDHM CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)ccc1[O-] ZINC001203663980 1090775297 /nfs/dbraw/zinc/77/52/97/1090775297.db2.gz JLRLLISPOWZYII-BXUZGUMPSA-N -1 3 311.809 3.209 20 10 DGCDHM O=C(Nc1cnccc1-c1ccccc1)c1cccc(O)c1[O-] ZINC001138209099 1091117313 /nfs/dbraw/zinc/11/73/13/1091117313.db2.gz HORYQMDIHCFDLU-UHFFFAOYSA-N -1 3 306.321 3.412 20 10 DGCDHM C[C@]1(F)CCN(Cc2c([O-])cccc2Br)C[C@H]1F ZINC001140098605 1091767795 /nfs/dbraw/zinc/76/77/95/1091767795.db2.gz HNOQUSOEDFXYBZ-OLZOCXBDSA-N -1 3 320.177 3.427 20 10 DGCDHM Cc1ccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)nc1 ZINC001140341486 1091835530 /nfs/dbraw/zinc/83/55/30/1091835530.db2.gz QRXFWPZHVNPVAM-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@H]12 ZINC001140583153 1091920212 /nfs/dbraw/zinc/92/02/12/1091920212.db2.gz XIHAABFVCFIQOW-KBPBESRZSA-N -1 3 315.319 3.082 20 10 DGCDHM CN(Cc1c([O-])cc(F)cc1F)C[C@@H]1Cc2ccccc2O1 ZINC001140584676 1091920270 /nfs/dbraw/zinc/92/02/70/1091920270.db2.gz AXWBSTXNLPBSCS-ZDUSSCGKSA-N -1 3 305.324 3.106 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](OCc2ccccc2)C1 ZINC001142520946 1092494778 /nfs/dbraw/zinc/49/47/78/1092494778.db2.gz RUUCSZYMQCLGSQ-HNNXBMFYSA-N -1 3 319.351 3.462 20 10 DGCDHM COc1ccc(Cl)c(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145933 1093926899 /nfs/dbraw/zinc/92/68/99/1093926899.db2.gz RUMYJAUAFUIADK-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001215145922 1093927033 /nfs/dbraw/zinc/92/70/33/1093927033.db2.gz RJSDCRUGRFKCOO-UHFFFAOYSA-N -1 3 323.230 3.229 20 10 DGCDHM COc1cc(F)c(F)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145644 1093927267 /nfs/dbraw/zinc/92/72/67/1093927267.db2.gz AGNBMZRHJRJPAE-UHFFFAOYSA-N -1 3 320.251 3.102 20 10 DGCDHM Cc1cc(F)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1F ZINC001215327811 1093961437 /nfs/dbraw/zinc/96/14/37/1093961437.db2.gz UYSPUQTVGIRYQM-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccnc3ccccc32)no1 ZINC001215327836 1093961843 /nfs/dbraw/zinc/96/18/43/1093961843.db2.gz WGLROUSTSYYUEZ-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](C)CO1 ZINC000403839923 1094187596 /nfs/dbraw/zinc/18/75/96/1094187596.db2.gz SGZROYZOKZFVJK-GXFFZTMASA-N -1 3 314.223 3.154 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](OCc2ccccc2)C1 ZINC001139684269 1095351019 /nfs/dbraw/zinc/35/10/19/1095351019.db2.gz SJROZQGYOPLWCS-CQSZACIVSA-N -1 3 319.351 3.462 20 10 DGCDHM C[C@H]1CC(CNC(=O)NCc2c([O-])cccc2F)C[C@H](C)C1 ZINC001230793593 1097588808 /nfs/dbraw/zinc/58/88/08/1097588808.db2.gz PNNIFFHBWZBGJZ-VXGBXAGGSA-N -1 3 308.397 3.403 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001231452709 1097751819 /nfs/dbraw/zinc/75/18/19/1097751819.db2.gz SFYSGEFDEUYBRZ-OAHLLOKOSA-N -1 3 311.381 3.155 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c([O-])c1 ZINC001231452709 1097751823 /nfs/dbraw/zinc/75/18/23/1097751823.db2.gz SFYSGEFDEUYBRZ-OAHLLOKOSA-N -1 3 311.381 3.155 20 10 DGCDHM CCCNC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231871149 1097872787 /nfs/dbraw/zinc/87/27/87/1097872787.db2.gz ZXDBZCUYVGWCET-HNNXBMFYSA-N -1 3 324.852 3.235 20 10 DGCDHM Cc1cccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231910144 1097890450 /nfs/dbraw/zinc/89/04/50/1097890450.db2.gz WCFNROPFBRSFPL-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM [O-]c1cc(O)c(CN2CCc3cc(F)ccc3C2)cc1Cl ZINC001232263087 1097984283 /nfs/dbraw/zinc/98/42/83/1097984283.db2.gz GAKLXWZRJJNONZ-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM COc1cccc2c1CN(Cc1cc(Cl)c([O-])cc1O)C2 ZINC001232262964 1097984931 /nfs/dbraw/zinc/98/49/31/1097984931.db2.gz XTSKPSWPUHPHLK-UHFFFAOYSA-N -1 3 305.761 3.276 20 10 DGCDHM C[C@@H]1C(=O)CCN(Cc2cc(Cl)c([O-])cc2O)C12CCCC2 ZINC001232266488 1097987334 /nfs/dbraw/zinc/98/73/34/1097987334.db2.gz VDUOJQTYMQHVDN-LLVKDONJSA-N -1 3 323.820 3.475 20 10 DGCDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H]2C)cc1Br ZINC001233135605 1098235395 /nfs/dbraw/zinc/23/53/95/1098235395.db2.gz WOIQMZUBRODDSB-PSASIEDQSA-N -1 3 318.186 3.096 20 10 DGCDHM CCn1cc(C(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001178409586 1098825635 /nfs/dbraw/zinc/82/56/35/1098825635.db2.gz GQCUDTIIRVQQGA-UHFFFAOYSA-N -1 3 312.344 3.436 20 10 DGCDHM CC(C)c1ccc(OCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001178410098 1098826768 /nfs/dbraw/zinc/82/67/68/1098826768.db2.gz LZIITDXEYLGGFZ-UHFFFAOYSA-N -1 3 317.360 3.350 20 10 DGCDHM C[C@@]1(CF)CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235299487 1098949096 /nfs/dbraw/zinc/94/90/96/1098949096.db2.gz VHCZCBLERGDPFR-ZDUSSCGKSA-N -1 3 320.177 3.475 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1CCC2(CC2)C1 ZINC001235293337 1098946398 /nfs/dbraw/zinc/94/63/98/1098946398.db2.gz HTLGBIMSMZNZGV-UHFFFAOYSA-N -1 3 300.171 3.280 20 10 DGCDHM C[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])[C@@H]1CO ZINC001236794139 1099788249 /nfs/dbraw/zinc/78/82/49/1099788249.db2.gz QEEATGNXDMPRRV-NOZJJQNGSA-N -1 3 304.217 3.292 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2[O-])C[C@]1(C)O ZINC001236792027 1099788285 /nfs/dbraw/zinc/78/82/85/1099788285.db2.gz AKIGPRQDPCLQOS-OTYXRUKQSA-N -1 3 304.217 3.292 20 10 DGCDHM CCN(Cc1cccnc1)Cc1c([O-])cc(OC)cc1Cl ZINC001236799314 1099793097 /nfs/dbraw/zinc/79/30/97/1099793097.db2.gz MNXLEPJAGMIZRB-UHFFFAOYSA-N -1 3 306.793 3.471 20 10 DGCDHM COc1cc([O-])c(CN2CC(Oc3ccccc3)C2)c(Cl)c1 ZINC001236797951 1099793762 /nfs/dbraw/zinc/79/37/62/1099793762.db2.gz CIUHAVVWROYPLY-UHFFFAOYSA-N -1 3 319.788 3.317 20 10 DGCDHM COc1cc([O-])c(CN2CC3(C2)C[C@@H](F)CS3)c(Cl)c1 ZINC001236809474 1099799905 /nfs/dbraw/zinc/79/99/05/1099799905.db2.gz VWCPGMVWVVUTTM-SECBINFHSA-N -1 3 317.813 3.084 20 10 DGCDHM COc1cc([O-])c(CN2CC3(CCC3)C2)c(Br)c1 ZINC001237058867 1099950039 /nfs/dbraw/zinc/95/00/39/1099950039.db2.gz BVCYYVAPRWWIOW-UHFFFAOYSA-N -1 3 312.207 3.149 20 10 DGCDHM C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)[C@H]1CO ZINC001237077697 1099958037 /nfs/dbraw/zinc/95/80/37/1099958037.db2.gz JNDADOPHGALDSG-CABZTGNLSA-N -1 3 304.217 3.292 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@@]1(C)O ZINC001237078096 1099959376 /nfs/dbraw/zinc/95/93/76/1099959376.db2.gz NSPZCTIWJMDGPA-LKFCYVNXSA-N -1 3 304.217 3.292 20 10 DGCDHM CCN(CCn1cccn1)Cc1c([O-])ccc(Cl)c1Cl ZINC001237084316 1099962287 /nfs/dbraw/zinc/96/22/87/1099962287.db2.gz JZTLSGZKLXMROV-UHFFFAOYSA-N -1 3 314.216 3.418 20 10 DGCDHM Cc1cc([O-])c(CN2CCOCC2(C)C)cc1Br ZINC001237678659 1100212290 /nfs/dbraw/zinc/21/22/90/1100212290.db2.gz KRNWWYPZRQGZQC-UHFFFAOYSA-N -1 3 314.223 3.074 20 10 DGCDHM CCOc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001197805908 1101670310 /nfs/dbraw/zinc/67/03/10/1101670310.db2.gz QIPNCRSCGHAXTG-UHFFFAOYSA-N -1 3 304.321 3.252 20 10 DGCDHM CC(C)CNC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001245264014 1103948975 /nfs/dbraw/zinc/94/89/75/1103948975.db2.gz TVUGZFCFUKAUQA-UHFFFAOYSA-N -1 3 323.849 3.214 20 10 DGCDHM CN1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CCC1=O ZINC001248883446 1105186368 /nfs/dbraw/zinc/18/63/68/1105186368.db2.gz HLJXQAAEHHCFFK-UHFFFAOYSA-N -1 3 324.852 3.007 20 10 DGCDHM Cc1cc(C)c(NC(=S)NCc2ncccc2[O-])c(C)c1 ZINC001249740107 1105370637 /nfs/dbraw/zinc/37/06/37/1105370637.db2.gz HNTFCLOATITXKM-UHFFFAOYSA-N -1 3 301.415 3.199 20 10 DGCDHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1 ZINC001254786542 1106140577 /nfs/dbraw/zinc/14/05/77/1106140577.db2.gz ONXMHZCJSZTGGD-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c(C)c1 ZINC001259101093 1107078365 /nfs/dbraw/zinc/07/83/65/1107078365.db2.gz NTNWZOSJJJISBK-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM C[C@H](CC(N)=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC001474722922 1108034497 /nfs/dbraw/zinc/03/44/97/1108034497.db2.gz QTCDBDOIFYVBHS-LLVKDONJSA-N -1 3 302.349 3.122 20 10 DGCDHM CCCN(Cc1cc(F)c(F)cc1[O-])[C@H](CC)C(=O)OCC ZINC001308685841 1111460685 /nfs/dbraw/zinc/46/06/85/1111460685.db2.gz JGNYPJYAKYILFL-CQSZACIVSA-N -1 3 315.360 3.224 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccccc1OCCF ZINC001310774853 1111571007 /nfs/dbraw/zinc/57/10/07/1111571007.db2.gz OGHKJESFIHOREO-UHFFFAOYSA-N -1 3 322.311 3.201 20 10 DGCDHM CC[C@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1nc(C)cs1 ZINC000179516436 432060702 /nfs/dbraw/zinc/06/07/02/432060702.db2.gz HAQFKFADNQZUCR-INIZCTEOSA-N -1 3 320.414 3.226 20 10 DGCDHM Cc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccccc2[O-])o1 ZINC000179562302 432063207 /nfs/dbraw/zinc/06/32/07/432063207.db2.gz UFQHAXTYXLHSDG-KRWDZBQOSA-N -1 3 321.380 3.383 20 10 DGCDHM COCC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000272240534 130011979 /nfs/dbraw/zinc/01/19/79/130011979.db2.gz GWHSDQGEXYNKBE-AWEZNQCLSA-N -1 3 320.345 3.069 20 10 DGCDHM CC(C)c1nc(C2CCN(Cc3cccc(F)c3[O-])CC2)no1 ZINC000272327201 130020373 /nfs/dbraw/zinc/02/03/73/130020373.db2.gz VMFRHGUVPGHKPC-UHFFFAOYSA-N -1 3 319.380 3.417 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1O ZINC000272717721 130057147 /nfs/dbraw/zinc/05/71/47/130057147.db2.gz DRLXXYOAYWBVHC-CYBMUJFWSA-N -1 3 315.344 3.175 20 10 DGCDHM C[C@@H](NCc1ccccc1N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469394 130125426 /nfs/dbraw/zinc/12/54/26/130125426.db2.gz JIVPSPRVZCRBKP-GFCCVEGCSA-N -1 3 315.373 3.217 20 10 DGCDHM C[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000273512986 130130079 /nfs/dbraw/zinc/13/00/79/130130079.db2.gz RZNLSGQAPVHSGM-LKFCYVNXSA-N -1 3 311.303 3.194 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)CCO3)c1 ZINC000273547806 130135198 /nfs/dbraw/zinc/13/51/98/130135198.db2.gz ZQZFEVKSVQXDEQ-LLVKDONJSA-N -1 3 313.353 3.287 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccccc2C)c(C)c(C)c1O ZINC000274770060 130261034 /nfs/dbraw/zinc/26/10/34/130261034.db2.gz IMMANXKUHXLZDA-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM CC[C@@H](NCc1cccc(C(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000286272605 131227534 /nfs/dbraw/zinc/22/75/34/131227534.db2.gz VKDNANPSKDEJNG-MRXNPFEDSA-N -1 3 316.376 3.132 20 10 DGCDHM CC[C@H](N[C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287669317 131293677 /nfs/dbraw/zinc/29/36/77/131293677.db2.gz MCVAHGSYARCWAT-UFBFGSQYSA-N -1 3 319.232 3.216 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000366659326 131313014 /nfs/dbraw/zinc/31/30/14/131313014.db2.gz XGJIJNXLDZUUSW-OLZOCXBDSA-N -1 3 323.820 3.107 20 10 DGCDHM CCCOc1ccc(CNCc2nccc(C(F)F)n2)c([O-])c1 ZINC000288488622 131327499 /nfs/dbraw/zinc/32/74/99/131327499.db2.gz QQMYYMBAVDRARU-UHFFFAOYSA-N -1 3 323.343 3.198 20 10 DGCDHM Cc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c(C)c1 ZINC000280158200 292270765 /nfs/dbraw/zinc/27/07/65/292270765.db2.gz UPPQHRJOCJFAIY-AWEZNQCLSA-N -1 3 311.381 3.344 20 10 DGCDHM C[C@@H](C(=O)N1CCCc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000109768884 431177672 /nfs/dbraw/zinc/17/76/72/431177672.db2.gz OWLZNQHWEPTISD-HNNXBMFYSA-N -1 3 324.424 3.192 20 10 DGCDHM Cc1cc(C(=O)CN(C)Cc2ccccc2[O-])c(C)n1C1CC1 ZINC000109771303 431178125 /nfs/dbraw/zinc/17/81/25/431178125.db2.gz RFGDUGIWVDTILZ-UHFFFAOYSA-N -1 3 312.413 3.460 20 10 DGCDHM CCc1cccc(C)c1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109772913 431178572 /nfs/dbraw/zinc/17/85/72/431178572.db2.gz GIKAIJKIGVFJSK-UHFFFAOYSA-N -1 3 312.413 3.334 20 10 DGCDHM Cc1nn(C)c(C)c1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000112018066 431246148 /nfs/dbraw/zinc/24/61/48/431246148.db2.gz YMSAMSIAJUJTRR-UHFFFAOYSA-N -1 3 314.216 3.339 20 10 DGCDHM CC[C@@H](NCc1cnnn1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287168073 280190878 /nfs/dbraw/zinc/19/08/78/280190878.db2.gz CAWIJLGNPBSBNG-GFCCVEGCSA-N -1 3 315.204 3.068 20 10 DGCDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@H]1CCCc2c1cnn2C ZINC000191431344 432262818 /nfs/dbraw/zinc/26/28/18/432262818.db2.gz JOHVIQRGSGBLSP-ZDUSSCGKSA-N -1 3 323.799 3.428 20 10 DGCDHM COc1c(C)cnc(CN(C)Cc2cc(F)ccc2[O-])c1C ZINC000183782664 432325767 /nfs/dbraw/zinc/32/57/67/432325767.db2.gz HGSSZEDUEZYWHL-UHFFFAOYSA-N -1 3 304.365 3.184 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCCN(c2nccs2)CC1 ZINC000271140746 432337075 /nfs/dbraw/zinc/33/70/75/432337075.db2.gz OWRVKVDXEFDKSE-UHFFFAOYSA-N -1 3 323.849 3.214 20 10 DGCDHM C[C@@H](N[C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650633 432397154 /nfs/dbraw/zinc/39/71/54/432397154.db2.gz APWVOUJQMONQJU-PELKAZGASA-N -1 3 317.216 3.018 20 10 DGCDHM C[C@H](N[C@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000184982531 432452848 /nfs/dbraw/zinc/45/28/48/432452848.db2.gz BYBJDIFMPNMKNL-KWQFWETISA-N -1 3 317.216 3.018 20 10 DGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncc(C)s2)c1[O-] ZINC000185011415 432455672 /nfs/dbraw/zinc/45/56/72/432455672.db2.gz KNHCSWWHYWUXIS-VIFPVBQESA-N -1 3 308.378 3.350 20 10 DGCDHM O=C(Nc1cccc(COCC2CC2)c1)c1cccc(O)c1[O-] ZINC000187022495 432642420 /nfs/dbraw/zinc/64/24/20/432642420.db2.gz MWNDVPIAJMBHDX-UHFFFAOYSA-N -1 3 313.353 3.277 20 10 DGCDHM Cc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(O)c1[O-])CCC2 ZINC000188472693 432726635 /nfs/dbraw/zinc/72/66/35/432726635.db2.gz OVIUYTNLNMECJG-LBPRGKRZSA-N -1 3 318.398 3.012 20 10 DGCDHM Cc1nccc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1 ZINC000189055992 432761048 /nfs/dbraw/zinc/76/10/48/432761048.db2.gz NARFRMRHHCQAHP-UHFFFAOYSA-N -1 3 321.336 3.116 20 10 DGCDHM Cn1cc([C@H]2CSCCN2Cc2c([O-])cccc2Cl)cn1 ZINC000276734377 432824393 /nfs/dbraw/zinc/82/43/93/432824393.db2.gz CDZGKKMBISQJFT-CQSZACIVSA-N -1 3 323.849 3.069 20 10 DGCDHM C[C@H](C(=O)[O-])[C@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245771 432831483 /nfs/dbraw/zinc/83/14/83/432831483.db2.gz JNYMAIGDQKYOEM-KSSFIOAISA-N -1 3 312.413 3.304 20 10 DGCDHM Cc1ccc([C@H](C)NCc2ncc(C(F)(F)F)cn2)c([O-])c1 ZINC000296602412 432924162 /nfs/dbraw/zinc/92/41/62/432924162.db2.gz VSTDMPHZEQURNO-JTQLQIEISA-N -1 3 311.307 3.360 20 10 DGCDHM COc1c([O-])c(CN[C@H]2CCCc3occc32)ccc1[N+](=O)[O-] ZINC000278616867 432898134 /nfs/dbraw/zinc/89/81/34/432898134.db2.gz FMAAJQKUCCNTNY-LBPRGKRZSA-N -1 3 318.329 3.069 20 10 DGCDHM CN1Cc2ccccc2[C@H](NCc2cc(Cl)ccc2[O-])C1 ZINC000374328419 433186017 /nfs/dbraw/zinc/18/60/17/433186017.db2.gz BWCZLKFZNMVANE-MRXNPFEDSA-N -1 3 302.805 3.322 20 10 DGCDHM CCCCN(Cc1ncnn1C(C)C)Cc1ccccc1[O-] ZINC000282358871 433581925 /nfs/dbraw/zinc/58/19/25/433581925.db2.gz DALYHFSIOREVCI-UHFFFAOYSA-N -1 3 302.422 3.367 20 10 DGCDHM CCCCN(Cc1nnc(OCC)s1)Cc1ccccc1[O-] ZINC000282497280 433615914 /nfs/dbraw/zinc/61/59/14/433615914.db2.gz QNFYMUAJNBHDEG-UHFFFAOYSA-N -1 3 321.446 3.445 20 10 DGCDHM CC(C)c1nnc([C@H](C)NCc2cc(Cl)c(F)cc2[O-])[nH]1 ZINC000293547732 433778283 /nfs/dbraw/zinc/77/82/83/433778283.db2.gz GRLDNLFWEBGFHC-QMMMGPOBSA-N -1 3 312.776 3.277 20 10 DGCDHM CC(C)c1nc([C@H](C)NCc2cc(Cl)c(F)cc2[O-])n[nH]1 ZINC000293547732 433778289 /nfs/dbraw/zinc/77/82/89/433778289.db2.gz GRLDNLFWEBGFHC-QMMMGPOBSA-N -1 3 312.776 3.277 20 10 DGCDHM COC[C@]1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000294325166 434086069 /nfs/dbraw/zinc/08/60/69/434086069.db2.gz XEEXCLRFASPCRC-MRXNPFEDSA-N -1 3 311.809 3.107 20 10 DGCDHM O=C1CCN(Cc2cc(F)ccc2[O-])c2ccc(F)cc2N1 ZINC000378126528 434087706 /nfs/dbraw/zinc/08/77/06/434087706.db2.gz IVBUJFKPEVZWOD-UHFFFAOYSA-N -1 3 304.296 3.019 20 10 DGCDHM Cn1cc2c(n1)CCC[C@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000294764489 434142330 /nfs/dbraw/zinc/14/23/30/434142330.db2.gz SILMEDSWXCROCO-CYBMUJFWSA-N -1 3 309.772 3.085 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@H]2CCOC2)CC1 ZINC000365268606 434294336 /nfs/dbraw/zinc/29/43/36/434294336.db2.gz ZDXUIGDYOPTUFI-LBPRGKRZSA-N -1 3 313.800 3.433 20 10 DGCDHM Cc1c[nH]c(-c2ccccc2NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000367878967 434560087 /nfs/dbraw/zinc/56/00/87/434560087.db2.gz NAYQYYVQKADTLG-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM CCOC(=O)C1(C)CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000371616944 434732648 /nfs/dbraw/zinc/73/26/48/434732648.db2.gz RODLZEXPFFYIKZ-UHFFFAOYSA-N -1 3 311.809 3.211 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCc2nc(C3CC3)ncc2C1 ZINC000529664050 435039207 /nfs/dbraw/zinc/03/92/07/435039207.db2.gz CCIDXATZADSMPQ-UHFFFAOYSA-N -1 3 315.804 3.271 20 10 DGCDHM C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NCc1cc(Br)ccc1[O-] ZINC000529391533 340753859 /nfs/dbraw/zinc/75/38/59/340753859.db2.gz ZYSWRIWNUASDHS-YZMDESFKSA-N -1 3 324.218 3.063 20 10 DGCDHM CCN(Cc1ccno1)Cc1cc(Br)ccc1[O-] ZINC000266652127 521425466 /nfs/dbraw/zinc/42/54/66/521425466.db2.gz YYGRDRKTZHLQPG-UHFFFAOYSA-N -1 3 311.179 3.165 20 10 DGCDHM CCS[C@H]1CCCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177685494 521730349 /nfs/dbraw/zinc/73/03/49/521730349.db2.gz HOTXOXVLYYYSML-LBPRGKRZSA-N -1 3 309.431 3.154 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)cc1C ZINC000189435394 523830319 /nfs/dbraw/zinc/83/03/19/523830319.db2.gz DALXIHWYUSTJJL-UHFFFAOYSA-N -1 3 321.398 3.072 20 10 DGCDHM COC(=O)[C@H](NCc1cc(F)ccc1[O-])c1cc(C)cc(C)c1 ZINC000189635507 523926971 /nfs/dbraw/zinc/92/69/71/523926971.db2.gz NYVGRWAVCJNYKS-QGZVFWFLSA-N -1 3 317.360 3.152 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)c([O-])c1O ZINC000182577296 526125954 /nfs/dbraw/zinc/12/59/54/526125954.db2.gz BLKTYJNOMLLVJT-DZGCQCFKSA-N -1 3 311.381 3.424 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273386002 536897085 /nfs/dbraw/zinc/89/70/85/536897085.db2.gz JLXMQKMZMNCMOF-NSHDSACASA-N -1 3 302.330 3.160 20 10 DGCDHM O=C(OCc1cc2c(c(Cl)c1)OCO2)c1cc([O-])cs1 ZINC000731909657 574561780 /nfs/dbraw/zinc/56/17/80/574561780.db2.gz HWBFNINAQPKBHX-UHFFFAOYSA-N -1 3 312.730 3.193 20 10 DGCDHM COCCN(C(=O)c1cc([O-])cs1)[C@H](C)c1ccccc1 ZINC000732278402 574569347 /nfs/dbraw/zinc/56/93/47/574569347.db2.gz LMQLTQQGMGSNRQ-GFCCVEGCSA-N -1 3 305.399 3.304 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000732287568 574570901 /nfs/dbraw/zinc/57/09/01/574570901.db2.gz XFFVHNFEFDURRY-ZDUSSCGKSA-N -1 3 323.801 3.321 20 10 DGCDHM COCCOc1ccc(NC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732274543 574569799 /nfs/dbraw/zinc/56/97/99/574569799.db2.gz QTVCOUJJUGLGPF-UHFFFAOYSA-N -1 3 307.371 3.040 20 10 DGCDHM CN(c1ccccc1)C1CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000732272840 574569840 /nfs/dbraw/zinc/56/98/40/574569840.db2.gz FARYVKVALOFWKG-UHFFFAOYSA-N -1 3 316.426 3.195 20 10 DGCDHM CCOC(=O)Nc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732272593 574569968 /nfs/dbraw/zinc/56/99/68/574569968.db2.gz XHNNEVGWWLKTPE-UHFFFAOYSA-N -1 3 306.343 3.274 20 10 DGCDHM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732276620 574570169 /nfs/dbraw/zinc/57/01/69/574570169.db2.gz NBKGVWFBVPJIGN-SNVBAGLBSA-N -1 3 318.398 3.234 20 10 DGCDHM CCCCN(CCCC)C(=O)COC(=O)c1cc([O-])cs1 ZINC000732353470 574572146 /nfs/dbraw/zinc/57/21/46/574572146.db2.gz QIMFGADZKFJVLF-UHFFFAOYSA-N -1 3 313.419 3.039 20 10 DGCDHM O=C(Nc1nc(-c2ccc(F)cc2)ns1)c1cc([O-])cs1 ZINC000733003153 574591209 /nfs/dbraw/zinc/59/12/09/574591209.db2.gz XJMRDSOSKZERGB-UHFFFAOYSA-N -1 3 321.358 3.364 20 10 DGCDHM CN(C)C(=O)c1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000733324364 574615421 /nfs/dbraw/zinc/61/54/21/574615421.db2.gz RUVVLMWHLVIKMJ-UHFFFAOYSA-N -1 3 318.804 3.037 20 10 DGCDHM COc1ccc2ccc([O-])c(C[N@H+](CCC(=O)[O-])C(C)C)c2c1 ZINC000738079821 574858620 /nfs/dbraw/zinc/85/86/20/574858620.db2.gz TUFZBTNHVSUEAU-UHFFFAOYSA-N -1 3 317.385 3.239 20 10 DGCDHM COc1ccc2ccc([O-])c(C[N@@H+](CCC(=O)[O-])C(C)C)c2c1 ZINC000738079821 574858623 /nfs/dbraw/zinc/85/86/23/574858623.db2.gz TUFZBTNHVSUEAU-UHFFFAOYSA-N -1 3 317.385 3.239 20 10 DGCDHM Cc1cc([O-])c(C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C(C)C ZINC000738464052 574871016 /nfs/dbraw/zinc/87/10/16/574871016.db2.gz YWWMJCIBEUWZBQ-AWEZNQCLSA-N -1 3 323.458 3.216 20 10 DGCDHM Cc1cc([O-])c(C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C(C)C ZINC000738464052 574871018 /nfs/dbraw/zinc/87/10/18/574871018.db2.gz YWWMJCIBEUWZBQ-AWEZNQCLSA-N -1 3 323.458 3.216 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCc3ccc(F)cc3C2)c1[O-] ZINC000749452044 575657156 /nfs/dbraw/zinc/65/71/56/575657156.db2.gz WGNHJLNIESGKMT-UHFFFAOYSA-N -1 3 317.335 3.431 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(C)c2c(C)noc2C)c1[O-] ZINC000750057441 575700668 /nfs/dbraw/zinc/70/06/68/575700668.db2.gz MZODQETUKOZZEH-UHFFFAOYSA-N -1 3 308.765 3.489 20 10 DGCDHM CCCCCc1nnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000751532419 575789134 /nfs/dbraw/zinc/78/91/34/575789134.db2.gz AZUIFZVKXFLZMF-UHFFFAOYSA-N -1 3 321.402 3.243 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(C3CCCC3)[nH]n2)c([O-])c1O ZINC000751537775 575789930 /nfs/dbraw/zinc/78/99/30/575789930.db2.gz ILLXQYPKMBZSNU-UHFFFAOYSA-N -1 3 301.346 3.039 20 10 DGCDHM CCN(Cc1ccccn1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000126642589 575895117 /nfs/dbraw/zinc/89/51/17/575895117.db2.gz ZMVLDWABMOWRNJ-UHFFFAOYSA-N -1 3 302.349 3.151 20 10 DGCDHM CCN(CC)c1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC000853192260 620676661 /nfs/dbraw/zinc/67/66/61/620676661.db2.gz GHIZNNHGXFNTCP-UHFFFAOYSA-N -1 3 316.361 3.154 20 10 DGCDHM CCc1nc([C@H](C)NC(=O)NCc2c([O-])cccc2F)cs1 ZINC000918004214 620692521 /nfs/dbraw/zinc/69/25/21/620692521.db2.gz POFPXQNISYYWBC-VIFPVBQESA-N -1 3 323.393 3.111 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC(CC2CCOCC2)C1 ZINC000895615938 618807295 /nfs/dbraw/zinc/80/72/95/618807295.db2.gz RKKZSMSWQFDMPW-UHFFFAOYSA-N -1 3 313.800 3.433 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](c1ncccn1)C1CC1 ZINC000896600399 618933111 /nfs/dbraw/zinc/93/31/11/618933111.db2.gz WZROJKUFRPXFFO-AWEZNQCLSA-N -1 3 307.756 3.216 20 10 DGCDHM Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1c([O-])cccc1F ZINC000928712800 619060591 /nfs/dbraw/zinc/06/05/91/619060591.db2.gz ZGEMXWQFEULYAP-UHFFFAOYSA-N -1 3 319.380 3.030 20 10 DGCDHM CN(C)C(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000149163492 620100117 /nfs/dbraw/zinc/10/01/17/620100117.db2.gz XCWAZHSDODXWKO-UHFFFAOYSA-N -1 3 304.777 3.360 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NCC1CCC(F)(F)CC1 ZINC000922365693 621030382 /nfs/dbraw/zinc/03/03/82/621030382.db2.gz VAVFYGRDUBQUOZ-UHFFFAOYSA-N -1 3 316.323 3.156 20 10 DGCDHM CN(C)C(=O)Cc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000114763004 621044426 /nfs/dbraw/zinc/04/44/26/621044426.db2.gz POWKSJAEJHDFGD-UHFFFAOYSA-N -1 3 318.804 3.288 20 10 DGCDHM Cc1ccc(O)c(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000862757187 621613695 /nfs/dbraw/zinc/61/36/95/621613695.db2.gz KPTAFAKJKMTLHS-UHFFFAOYSA-N -1 3 317.360 3.184 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccccc2OC)c1 ZINC000756790616 621664838 /nfs/dbraw/zinc/66/48/38/621664838.db2.gz PLSHLWOSPAFCNK-LLVKDONJSA-N -1 3 301.342 3.361 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cc(F)ccc2OC)c1 ZINC000756857700 621669163 /nfs/dbraw/zinc/66/91/63/621669163.db2.gz QBJVOWVXWDITIC-SNVBAGLBSA-N -1 3 319.332 3.500 20 10 DGCDHM COC(=O)[C@@H](NCc1cc(Cl)ccc1[O-])c1cccs1 ZINC000789571185 625526328 /nfs/dbraw/zinc/52/63/28/625526328.db2.gz IZYMIYVYKCUWAT-ZDUSSCGKSA-N -1 3 311.790 3.111 20 10 DGCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1cccs1 ZINC000789571184 625526616 /nfs/dbraw/zinc/52/66/16/625526616.db2.gz IZYMIYVYKCUWAT-CYBMUJFWSA-N -1 3 311.790 3.111 20 10 DGCDHM CC(C)(C)CC(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768252275 622447708 /nfs/dbraw/zinc/44/77/08/622447708.db2.gz HYRIQRITMIJSIN-UHFFFAOYSA-N -1 3 324.852 3.126 20 10 DGCDHM COC(=O)c1ccc2c(c1)CN(Cc1c([O-])cccc1Cl)C2 ZINC000769371890 622521567 /nfs/dbraw/zinc/52/15/67/622521567.db2.gz UUJSHAPEUKVEPA-UHFFFAOYSA-N -1 3 317.772 3.348 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000774822026 623196251 /nfs/dbraw/zinc/19/62/51/623196251.db2.gz XNIOXJNNQBJQLC-UHFFFAOYSA-N -1 3 308.359 3.003 20 10 DGCDHM CCC1(CO)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775713421 623318751 /nfs/dbraw/zinc/31/87/51/623318751.db2.gz NGAZZUMQECZCRG-UHFFFAOYSA-N -1 3 301.789 3.169 20 10 DGCDHM COc1c(Cl)cc(Cl)cc1C=C1SC(=O)[N-]C1=O ZINC000874929005 623393331 /nfs/dbraw/zinc/39/33/31/623393331.db2.gz ZLEWUGHWDMPQLC-BAQGIRSFSA-N -1 3 304.154 3.326 20 10 DGCDHM O=C(NCCOc1cccc2ccccc21)c1cccc(O)c1[O-] ZINC000776339831 623414329 /nfs/dbraw/zinc/41/43/29/623414329.db2.gz CPVXDYCBVSUTMC-UHFFFAOYSA-N -1 3 323.348 3.060 20 10 DGCDHM COc1ccc(OC(C)C)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776652536 623448496 /nfs/dbraw/zinc/44/84/96/623448496.db2.gz NPSRCQPJOLCVKF-UHFFFAOYSA-N -1 3 317.341 3.146 20 10 DGCDHM Cc1cccn2cc(CNCc3cc(Cl)cc(F)c3[O-])nc12 ZINC000777485509 623530923 /nfs/dbraw/zinc/53/09/23/623530923.db2.gz YRUYCJVJHOICGP-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM O=C(NCCCSc1ccccc1)c1cccc(O)c1[O-] ZINC000790473232 625657805 /nfs/dbraw/zinc/65/78/05/625657805.db2.gz SVQQPAMWCVGJJY-UHFFFAOYSA-N -1 3 303.383 3.010 20 10 DGCDHM CCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000790548100 625668965 /nfs/dbraw/zinc/66/89/65/625668965.db2.gz UMYHFAXJXSPCCG-UHFFFAOYSA-N -1 3 307.733 3.402 20 10 DGCDHM O=C(NCc1ccc(-c2ccccc2)o1)c1cccc(O)c1[O-] ZINC000790557269 625669589 /nfs/dbraw/zinc/66/95/89/625669589.db2.gz ZLGVEHLTGQILQD-UHFFFAOYSA-N -1 3 309.321 3.288 20 10 DGCDHM Cc1ccc(Br)cc1NC(=O)c1cccc(O)c1[O-] ZINC000126172995 623716271 /nfs/dbraw/zinc/71/62/71/623716271.db2.gz FGJHRXUIMWJCMC-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM [O-]c1c(CN2CC[C@@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673737 623987010 /nfs/dbraw/zinc/98/70/10/623987010.db2.gz QXVFGPQPHOLZKE-GDBMZVCRSA-N -1 3 319.351 3.368 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1OC(C)C ZINC000790785119 625697654 /nfs/dbraw/zinc/69/76/54/625697654.db2.gz TYNPMZBOMMUZSZ-UHFFFAOYSA-N -1 3 301.342 3.446 20 10 DGCDHM O=C(Nc1nc2ccccc2n1C1CC1)c1cccc(O)c1[O-] ZINC000790902797 625713655 /nfs/dbraw/zinc/71/36/55/625713655.db2.gz QTOYNJAAOSFZEP-UHFFFAOYSA-N -1 3 309.325 3.035 20 10 DGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])ccc1OC(C)C ZINC000790939525 625718994 /nfs/dbraw/zinc/71/89/94/625718994.db2.gz RSRRQEDZEYZWPA-UHFFFAOYSA-N -1 3 317.341 3.146 20 10 DGCDHM CC[C@@]1(C)Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2O1 ZINC000785670074 624710080 /nfs/dbraw/zinc/71/00/80/624710080.db2.gz LBPRLPDHENBOPX-KRWDZBQOSA-N -1 3 315.325 3.248 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2nccnc2C)c1[O-] ZINC000880105374 624790386 /nfs/dbraw/zinc/79/03/86/624790386.db2.gz BOJMKBPMQLQAFD-SNVBAGLBSA-N -1 3 319.792 3.197 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](CO)c1ccc(F)cc1 ZINC000790966247 625725079 /nfs/dbraw/zinc/72/50/79/625725079.db2.gz CMIMSDNYABIGGI-ZDUSSCGKSA-N -1 3 313.731 3.147 20 10 DGCDHM CC(C)Oc1ncccc1CNCc1cc(F)cc(F)c1[O-] ZINC000882894830 625849059 /nfs/dbraw/zinc/84/90/59/625849059.db2.gz ZAARUEGMMAIYBY-UHFFFAOYSA-N -1 3 308.328 3.142 20 10 DGCDHM CC(C)(C)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1O ZINC000792174127 625919789 /nfs/dbraw/zinc/91/97/89/625919789.db2.gz LRHISUKEEXDZRQ-RISCZKNCSA-N -1 3 315.816 3.414 20 10 DGCDHM CC[C@H](C)c1nnc([C@@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883102168 625928080 /nfs/dbraw/zinc/92/80/80/625928080.db2.gz IJCDXUHPEAMFDH-DTWKUNHWSA-N -1 3 310.348 3.153 20 10 DGCDHM CC[C@H](C)c1nc([C@@H](C)NCc2cc(F)cc(F)c2[O-])n[nH]1 ZINC000883102168 625928086 /nfs/dbraw/zinc/92/80/86/625928086.db2.gz IJCDXUHPEAMFDH-DTWKUNHWSA-N -1 3 310.348 3.153 20 10 DGCDHM CCn1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000792313011 625935702 /nfs/dbraw/zinc/93/57/02/625935702.db2.gz IGGAVENDFWMVDG-UHFFFAOYSA-N -1 3 304.365 3.187 20 10 DGCDHM Cc1ccn(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)n1 ZINC000803816771 626641507 /nfs/dbraw/zinc/64/15/07/626641507.db2.gz NDPINUKTGPSAAO-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1cc(Br)ccc1[O-] ZINC000131503345 626645744 /nfs/dbraw/zinc/64/57/44/626645744.db2.gz XANRBDOJSYMPJW-GWCFXTLKSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@H]1CO[C@H](C)CN1Cc1cc(Br)ccc1[O-] ZINC000131502938 626645801 /nfs/dbraw/zinc/64/58/01/626645801.db2.gz XANRBDOJSYMPJW-MFKMUULPSA-N -1 3 314.223 3.154 20 10 DGCDHM CCCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000131689266 626670161 /nfs/dbraw/zinc/67/01/61/626670161.db2.gz VNAPZEOKSONATP-UHFFFAOYSA-N -1 3 303.233 3.227 20 10 DGCDHM C[C@@H](Nc1ccc(COCCO)cc1)c1c([O-])cccc1F ZINC000886629292 627176561 /nfs/dbraw/zinc/17/65/61/627176561.db2.gz AHPVYHFQIKLSOG-GFCCVEGCSA-N -1 3 305.349 3.213 20 10 DGCDHM CC[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801662 627205940 /nfs/dbraw/zinc/20/59/40/627205940.db2.gz QPAGPQJEZANUCE-JQWIXIFHSA-N -1 3 311.731 3.400 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(CC(F)F)C2CCC2)c1[O-] ZINC000887100698 627224795 /nfs/dbraw/zinc/22/47/95/627224795.db2.gz MFJORPMQCVFRDM-UHFFFAOYSA-N -1 3 301.308 3.354 20 10 DGCDHM Cc1nnsc1CN[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815629216 627693016 /nfs/dbraw/zinc/69/30/16/627693016.db2.gz XMBHFZBXDOHOIU-SSDOTTSWSA-N -1 3 317.336 3.422 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cccc2c1OCCO2 ZINC000816527981 627802732 /nfs/dbraw/zinc/80/27/32/627802732.db2.gz HORLPRAEAPKXED-UHFFFAOYSA-N -1 3 323.751 3.246 20 10 DGCDHM O=C(NCCc1cc2ccccc2s1)c1cccc(O)c1[O-] ZINC000818270668 628009884 /nfs/dbraw/zinc/00/98/84/628009884.db2.gz YSSVVWOBHDOEAO-UHFFFAOYSA-N -1 3 313.378 3.285 20 10 DGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c(C(C)C)n1 ZINC000928705887 628179540 /nfs/dbraw/zinc/17/95/40/628179540.db2.gz MHGYUFPKYMZTBR-UHFFFAOYSA-N -1 3 302.349 3.288 20 10 DGCDHM Cc1nc(C(C)C)sc1C(=O)NCc1c([O-])cccc1F ZINC000928710319 628180247 /nfs/dbraw/zinc/18/02/47/628180247.db2.gz BBSJWUYXNQZXMV-UHFFFAOYSA-N -1 3 308.378 3.350 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])[C@H](C)[C@@H](C)O1 ZINC000825634621 628779794 /nfs/dbraw/zinc/77/97/94/628779794.db2.gz PAXHMMUAVVHZFN-GMTAPVOTSA-N -1 3 314.223 3.152 20 10 DGCDHM COc1cccc(OC)c1CNCc1cccc(Cl)c1[O-] ZINC000826922048 628903909 /nfs/dbraw/zinc/90/39/09/628903909.db2.gz XWCWOJXIACTJBX-UHFFFAOYSA-N -1 3 307.777 3.353 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@](O)(C2CC2)C1 ZINC000827151760 628929005 /nfs/dbraw/zinc/92/90/05/628929005.db2.gz JFWBTXQSQFTXOI-OAHLLOKOSA-N -1 3 316.228 3.436 20 10 DGCDHM CC1(C)Cc2n[nH]cc2CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000828013791 629013945 /nfs/dbraw/zinc/01/39/45/629013945.db2.gz KTJXMVPPPABVKR-UHFFFAOYSA-N -1 3 323.799 3.492 20 10 DGCDHM Cc1cc([O-])c(CN(CCCO)CC(F)(F)F)c(Cl)c1 ZINC000840914464 630377495 /nfs/dbraw/zinc/37/74/95/630377495.db2.gz UIAOCQMNSURNOZ-UHFFFAOYSA-N -1 3 311.731 3.101 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2ncc(Cl)n2C)c(Cl)c1 ZINC000840937579 630380604 /nfs/dbraw/zinc/38/06/04/630380604.db2.gz RWLDERXXXOVXLJ-UHFFFAOYSA-N -1 3 314.216 3.373 20 10 DGCDHM C[C@@H](NCc1nn(C)cc1Cl)c1ccc(Cl)cc1[O-] ZINC000841757974 630462792 /nfs/dbraw/zinc/46/27/92/630462792.db2.gz QMGGDYOOSKJHMX-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM COc1ccc(O)c([C@@H](C)NCc2c(F)ccc([O-])c2F)c1 ZINC000845971001 631204104 /nfs/dbraw/zinc/20/41/04/631204104.db2.gz GNNOILGHJFHOMJ-SECBINFHSA-N -1 3 309.312 3.235 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1C[C@@H](O)c2ccccc21 ZINC000850373176 632129913 /nfs/dbraw/zinc/12/99/13/632129913.db2.gz DHGBBTYOSHMBKS-DZGCQCFKSA-N -1 3 307.752 3.453 20 10 DGCDHM C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000186844957 660577508 /nfs/dbraw/zinc/57/75/08/660577508.db2.gz ICXOJPATYVUKMQ-VIFPVBQESA-N -1 3 307.296 3.209 20 10 DGCDHM CCC(CC)c1nnc(NC(=O)c2cccc(O)c2[O-])s1 ZINC000186865431 660578271 /nfs/dbraw/zinc/57/82/71/660578271.db2.gz PVDMDDZWQXXJPK-UHFFFAOYSA-N -1 3 307.375 3.105 20 10 DGCDHM Cc1cc(C)n(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1 ZINC000186926620 660589340 /nfs/dbraw/zinc/58/93/40/660589340.db2.gz MVWUDIFHNFVNBH-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM Cc1nc(CNCc2c([O-])cccc2Br)cs1 ZINC000706821324 660873762 /nfs/dbraw/zinc/87/37/62/660873762.db2.gz CUGAQXDDVPHQMP-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)O1 ZINC000708351419 660920306 /nfs/dbraw/zinc/92/03/06/660920306.db2.gz XQCQPQMPBCZSGM-MFKMUULPSA-N -1 3 314.223 3.154 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOC3(CCCCC3)C2)c1[O-] ZINC000175739479 655541032 /nfs/dbraw/zinc/54/10/32/655541032.db2.gz FYOOJOJNDVLVPR-UHFFFAOYSA-N -1 3 321.392 3.269 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000189430654 656155050 /nfs/dbraw/zinc/15/50/50/656155050.db2.gz RGVQRALAWYSBMT-UHFFFAOYSA-N -1 3 323.439 3.477 20 10 DGCDHM CCN(CC)c1ccc(CNC(=O)c2ccccc2[O-])cc1F ZINC000303393015 657531795 /nfs/dbraw/zinc/53/17/95/657531795.db2.gz YKMOTLWPLKPAMV-UHFFFAOYSA-N -1 3 316.376 3.308 20 10 DGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1CC ZINC000182410609 660051267 /nfs/dbraw/zinc/05/12/67/660051267.db2.gz BLIPWQMUFKKPTA-UHFFFAOYSA-N -1 3 305.399 3.318 20 10 DGCDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(CC)CC ZINC000193129721 662123650 /nfs/dbraw/zinc/12/36/50/662123650.db2.gz IDASIWHHACTCOG-HUUCEWRRSA-N -1 3 321.417 3.154 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1CC(F)(F)F ZINC000092102929 662327314 /nfs/dbraw/zinc/32/73/14/662327314.db2.gz AYGMMFKAEZKOCY-JTQLQIEISA-N -1 3 322.758 3.114 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)cc(C)c3c2)c([O-])c1O ZINC001585113949 1192242350 /nfs/dbraw/zinc/24/23/50/1192242350.db2.gz FAUVIGQQBDUZKP-UHFFFAOYSA-N -1 3 324.336 3.221 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-n3cccc3)c2)c([O-])c1O ZINC001588249845 1192440831 /nfs/dbraw/zinc/44/08/31/1192440831.db2.gz NPNIRBOOBNOINH-UHFFFAOYSA-N -1 3 308.337 3.449 20 10 DGCDHM C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccsc1 ZINC001589952361 1192477719 /nfs/dbraw/zinc/47/77/19/1192477719.db2.gz NNQAIDJNEPMGTL-UWVGGRQHSA-N -1 3 315.402 3.046 20 10 DGCDHM COc1cccc(CC(=O)NCc2c([O-])cccc2F)c1Cl ZINC001596917086 1192710845 /nfs/dbraw/zinc/71/08/45/1192710845.db2.gz VGHFRSJNQXRBLH-UHFFFAOYSA-N -1 3 323.751 3.052 20 10 DGCDHM Cc1oc(CN(C)Cc2cc(C)cc(C)c2O)cc1C(=O)[O-] ZINC001600163378 1192798358 /nfs/dbraw/zinc/79/83/58/1192798358.db2.gz KLNWULWNODWRFP-UHFFFAOYSA-N -1 3 303.358 3.241 20 10 DGCDHM Cc1cccc(CCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001600529431 1192867263 /nfs/dbraw/zinc/86/72/63/1192867263.db2.gz ILVMGVDTLIBLAV-ZDUSSCGKSA-N -1 3 314.385 3.077 20 10 DGCDHM Cc1sc([C@@H]2CCCN2Cc2ccccc2O)nc1C(=O)[O-] ZINC001600882405 1192908141 /nfs/dbraw/zinc/90/81/41/1192908141.db2.gz DKQPQWHOZUNBJB-LBPRGKRZSA-N -1 3 318.398 3.192 20 10 DGCDHM O=C(Nc1ccc(Nc2ccccc2)cn1)c1cccc(O)c1[O-] ZINC001472603391 1180776169 /nfs/dbraw/zinc/77/61/69/1180776169.db2.gz GGYOPPDJFCHWMA-UHFFFAOYSA-N -1 3 321.336 3.489 20 10 DGCDHM C[C@H]([NH2+]C[C@H](C)N1CCCC[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604331807 1193065987 /nfs/dbraw/zinc/06/59/87/1193065987.db2.gz GSHIPBVKXDIYGF-IHRRRGAJSA-N -1 3 320.433 3.004 20 10 DGCDHM Cc1cc(C)cc(CCC(=O)NCc2c([O-])cccc2F)c1 ZINC001456030323 1182394983 /nfs/dbraw/zinc/39/49/83/1182394983.db2.gz SCYUQEYXYYJZAI-UHFFFAOYSA-N -1 3 301.361 3.397 20 10 DGCDHM O=C(CSCc1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001456094009 1182396637 /nfs/dbraw/zinc/39/66/37/1182396637.db2.gz POKSYPUSGKJXKG-UHFFFAOYSA-N -1 3 323.364 3.220 20 10 DGCDHM COC(=O)CN(CCC=C(C)C)Cc1cc(Cl)ccc1[O-] ZINC001459685135 1182604185 /nfs/dbraw/zinc/60/41/85/1182604185.db2.gz KUMMAIYSSOIPKH-UHFFFAOYSA-N -1 3 311.809 3.377 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC(Cc2ccc(F)cc2)C1 ZINC001462320192 1182938804 /nfs/dbraw/zinc/93/88/04/1182938804.db2.gz IDLMLRDLMJEZIR-UHFFFAOYSA-N -1 3 307.315 3.484 20 10 DGCDHM COCc1ccc(NCc2cc(F)c(F)cc2[O-])cc1OC ZINC001462483907 1182959634 /nfs/dbraw/zinc/95/96/34/1182959634.db2.gz WLPZWXFJEDQWHB-UHFFFAOYSA-N -1 3 309.312 3.438 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001462567449 1182970260 /nfs/dbraw/zinc/97/02/60/1182970260.db2.gz ZZIYTFBHAINJIL-HNNXBMFYSA-N -1 3 323.314 3.463 20 10 DGCDHM CO[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccccc1 ZINC001606679244 1193202667 /nfs/dbraw/zinc/20/26/67/1193202667.db2.gz AYPMPCKJOVEYLU-PXAZEXFGSA-N -1 3 315.369 3.129 20 10 DGCDHM CC(C)[C@H](CNC(=O)c1cccc(O)c1[O-])Cc1ccccc1 ZINC001467252923 1183249136 /nfs/dbraw/zinc/24/91/36/1183249136.db2.gz KPHWOGNCSSFBMN-HNNXBMFYSA-N -1 3 313.397 3.343 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC001468787084 1183358783 /nfs/dbraw/zinc/35/87/83/1183358783.db2.gz OEYMOCJYFGYXRF-YNEHKIRRSA-N -1 3 306.381 3.299 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC001607656256 1193245979 /nfs/dbraw/zinc/24/59/79/1193245979.db2.gz VENDQLOVKYZSHF-CJNGLKHVSA-N -1 3 311.809 3.477 20 10 DGCDHM Cc1cc(N(C)C)ccc1CN1CCc2c(cccc2C(=O)[O-])C1 ZINC001607667405 1193246784 /nfs/dbraw/zinc/24/67/84/1193246784.db2.gz GRTUOPUYDBKWSS-UHFFFAOYSA-N -1 3 324.424 3.318 20 10 DGCDHM Cc1cccc2c1CC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC001477830722 1184113480 /nfs/dbraw/zinc/11/34/80/1184113480.db2.gz QYUJNINFVSOEPN-INIZCTEOSA-N -1 3 314.360 3.326 20 10 DGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1cccc(F)c1F ZINC001478254590 1184137540 /nfs/dbraw/zinc/13/75/40/1184137540.db2.gz OIVYUBNGJKJPMR-VIFPVBQESA-N -1 3 324.302 3.370 20 10 DGCDHM C[C@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778744 1193355820 /nfs/dbraw/zinc/35/58/20/1193355820.db2.gz XOVKTELEQVZKEF-SWLSCSKDSA-N -1 3 321.417 3.072 20 10 DGCDHM CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCC2 ZINC001610034665 1193373152 /nfs/dbraw/zinc/37/31/52/1193373152.db2.gz UBSMXLTVBNFHKB-IUIKQTSFSA-N -1 3 319.401 3.089 20 10 DGCDHM CC(C)(C)c1ccc(CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC001540780860 1188260117 /nfs/dbraw/zinc/26/01/17/1188260117.db2.gz VNAPVKCXDHKUGV-UHFFFAOYSA-N -1 3 313.397 3.368 20 10 DGCDHM CCc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c([O-])c1 ZINC001617047744 1193555826 /nfs/dbraw/zinc/55/58/26/1193555826.db2.gz RHTODLOJSVDLHN-UHFFFAOYSA-N -1 3 312.413 3.259 20 10 DGCDHM O=C(CCc1cc(F)ccc1F)NCc1c([O-])cccc1F ZINC001558455409 1189126453 /nfs/dbraw/zinc/12/64/53/1189126453.db2.gz SKSQVNDFJBXQFY-UHFFFAOYSA-N -1 3 309.287 3.059 20 10 DGCDHM Cc1cc(NCc2c([O-])cccc2F)nc(-c2cccnc2)n1 ZINC001559284641 1189192021 /nfs/dbraw/zinc/19/20/21/1189192021.db2.gz LGUCGTAEFYNTPX-UHFFFAOYSA-N -1 3 310.332 3.304 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@H]1C1CCCC1 ZINC001565481156 1189649464 /nfs/dbraw/zinc/64/94/64/1189649464.db2.gz HWFWONKZMARMBR-STQMWFEESA-N -1 3 306.381 3.157 20 10 DGCDHM CCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(F)c1 ZINC001570446888 1190860627 /nfs/dbraw/zinc/86/06/27/1190860627.db2.gz RDUCMRMUHIMGCM-UHFFFAOYSA-N -1 3 305.305 3.196 20 10 DGCDHM C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001621177342 1193813389 /nfs/dbraw/zinc/81/33/89/1193813389.db2.gz YFPBDGRJTPQCMU-MGPLVRAMSA-N -1 3 315.344 3.290 20 10 DGCDHM CSc1ccc([O-])c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC001623316352 1193927357 /nfs/dbraw/zinc/92/73/57/1193927357.db2.gz SHCUAPNZZIESMR-UHFFFAOYSA-N -1 3 316.426 3.110 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1csc2c1CCCC2 ZINC001635360831 1194546575 /nfs/dbraw/zinc/54/65/75/1194546575.db2.gz SFNWNJLXMSDXAK-UHFFFAOYSA-N -1 3 305.374 3.402 20 10 DGCDHM Cc1cc(C)cc(OCCC(=O)NCc2c([O-])cccc2F)c1 ZINC001638858117 1194741314 /nfs/dbraw/zinc/74/13/14/1194741314.db2.gz HRDIHYDDLJASKY-UHFFFAOYSA-N -1 3 317.360 3.233 20 10 DGCDHM C[C@]1(C(=O)NCc2c([O-])cccc2F)CCCc2ccccc21 ZINC001638864382 1194741574 /nfs/dbraw/zinc/74/15/74/1194741574.db2.gz YPQDTYDFSFNJRC-IBGZPJMESA-N -1 3 313.372 3.442 20 10 DGCDHM CCOc1cccc(/C=C\C(=O)NCc2c([O-])cccc2F)c1 ZINC001638866658 1194742058 /nfs/dbraw/zinc/74/20/58/1194742058.db2.gz IGPGWKLSVDZZNX-KTKRTIGZSA-N -1 3 315.344 3.260 20 10 DGCDHM CC(C)Oc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001646035550 1195211314 /nfs/dbraw/zinc/21/13/14/1195211314.db2.gz YNNILNAHTGRPJQ-UHFFFAOYSA-N -1 3 303.333 3.249 20 10 DGCDHM CSc1ccc(F)cc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC001647028919 1195241069 /nfs/dbraw/zinc/24/10/69/1195241069.db2.gz BUAOZMRWNJSBBN-UHFFFAOYSA-N -1 3 322.361 3.451 20 10 DGCDHM C/C(=C\c1ccc(F)cc1)C(=O)NCc1c([O-])cccc1F ZINC001652298401 1195577144 /nfs/dbraw/zinc/57/71/44/1195577144.db2.gz JOPDFNLUQDFQHK-PKNBQFBNSA-N -1 3 303.308 3.390 20 10 DGCDHM CCOC(=O)[C@@H](CCCC(C)C)NCc1cc(F)ccc1[O-] ZINC001653090769 1195687476 /nfs/dbraw/zinc/68/74/76/1195687476.db2.gz BZVRXJBPQHXCAT-OAHLLOKOSA-N -1 3 311.397 3.379 20 10 DGCDHM C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cccc(O)c1[O-] ZINC001653937119 1195761893 /nfs/dbraw/zinc/76/18/93/1195761893.db2.gz SLRMMXTXAVPHTP-VIFPVBQESA-N -1 3 303.745 3.343 20 10 DGCDHM C[C@@H]1COc2ccccc2CN1Cc1cc(F)cc(F)c1[O-] ZINC001657743826 1196174944 /nfs/dbraw/zinc/17/49/44/1196174944.db2.gz BAQYLZAYKKOQGQ-LLVKDONJSA-N -1 3 305.324 3.454 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(CC(C)C)C(=O)[C@H]2C)cc1Cl ZINC001658955672 1196324464 /nfs/dbraw/zinc/32/44/64/1196324464.db2.gz YRYVWIUFOHXEEK-CYBMUJFWSA-N -1 3 324.852 3.043 20 10 DGCDHM COc1ccccc1N(CCO)Cc1ccc(Cl)cc1[O-] ZINC001659346674 1196373507 /nfs/dbraw/zinc/37/35/07/1196373507.db2.gz JPBVGCDBOSJPKZ-UHFFFAOYSA-N -1 3 307.777 3.053 20 10 DGCDHM CC1(C)CC[C@H](CO)N(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001665533799 1197148662 /nfs/dbraw/zinc/14/86/62/1197148662.db2.gz SLWYIEQKNNILGL-LLVKDONJSA-N -1 3 301.789 3.168 20 10 DGCDHM Cn1cncc1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001665926358 1197217632 /nfs/dbraw/zinc/21/76/32/1197217632.db2.gz RCYANCXFDPXUCQ-UHFFFAOYSA-N -1 3 323.799 3.298 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(n1)CCCC2 ZINC001672898241 1197627142 /nfs/dbraw/zinc/62/71/42/1197627142.db2.gz CLLVMOOZJJRMAY-UHFFFAOYSA-N -1 3 315.348 3.127 20 10 DGCDHM COc1c(C)ccc(NC(=O)NCc2c([O-])cccc2F)c1C ZINC001673119043 1197638791 /nfs/dbraw/zinc/63/87/91/1197638791.db2.gz CBJFMGOCUPYWCB-UHFFFAOYSA-N -1 3 318.348 3.478 20 10 DGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)cc(Cl)n1 ZINC001673262370 1197647581 /nfs/dbraw/zinc/64/75/81/1197647581.db2.gz HRNZYRPENNHUDB-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM O=C(NCc1cccc(Cl)c1)NCc1c([O-])cccc1F ZINC001675879091 1198165610 /nfs/dbraw/zinc/16/56/10/1198165610.db2.gz RKSRIZORJGVHRO-UHFFFAOYSA-N -1 3 308.740 3.184 20 10 DGCDHM O=C([O-])[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC001594900419 954624025 /nfs/dbraw/zinc/62/40/25/954624025.db2.gz OBDKHNXVUHCFJQ-OWCLPIDISA-N -1 3 309.365 3.282 20 10 DGCDHM C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274773 994626432 /nfs/dbraw/zinc/62/64/32/994626432.db2.gz NWGDJGBTNNTNPA-SNVBAGLBSA-N -1 3 320.776 3.032 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593299873 994726498 /nfs/dbraw/zinc/72/64/98/994726498.db2.gz XIKLTCRLLZQWJV-GFCCVEGCSA-N -1 3 314.385 3.007 20 10 DGCDHM C[C@@H](NCc1ccc(Cl)cc1[O-])C(=O)OCc1ccccc1 ZINC001182626291 1083761826 /nfs/dbraw/zinc/76/18/26/1083761826.db2.gz XLLQJIDEHWGAMC-GFCCVEGCSA-N -1 3 319.788 3.267 20 10 DGCDHM C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1CO ZINC001203573482 1083991512 /nfs/dbraw/zinc/99/15/12/1083991512.db2.gz BXRGYPVYSGTIGE-NOZJJQNGSA-N -1 3 304.217 3.292 20 10 DGCDHM COC(=O)[C@@H](NCc1cc(Cl)c(C)cc1[O-])c1ccccc1 ZINC001184217575 1084127551 /nfs/dbraw/zinc/12/75/51/1084127551.db2.gz HGUJBPCEBPXMMW-INIZCTEOSA-N -1 3 319.788 3.358 20 10 DGCDHM Cn1ccnc1[C@H](NCc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001184429078 1084182664 /nfs/dbraw/zinc/18/26/64/1084182664.db2.gz SMZRWMOADAQBQQ-NSHDSACASA-N -1 3 319.714 3.172 20 10 DGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@H]12 ZINC001142509162 1087274839 /nfs/dbraw/zinc/27/48/39/1087274839.db2.gz ZBZFZVMESRIEHE-KBPBESRZSA-N -1 3 315.319 3.082 20 10 DGCDHM O=C(Nc1nc2ccccc2n1CC1CC1)c1cccc(O)c1[O-] ZINC001161849328 1089440723 /nfs/dbraw/zinc/44/07/23/1089440723.db2.gz OMSYHSLTVWANHO-UHFFFAOYSA-N -1 3 323.352 3.110 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@](F)(CO)CC1 ZINC001203574349 1090759960 /nfs/dbraw/zinc/75/99/60/1090759960.db2.gz TWTXAICCUALLJK-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM CCCCOC1CN(Cc2c([O-])cccc2Br)C1 ZINC001140101212 1091768910 /nfs/dbraw/zinc/76/89/10/1091768910.db2.gz NHXLPZPXLXAARV-UHFFFAOYSA-N -1 3 314.223 3.156 20 10 DGCDHM CCOC(=O)[C@H]1C[C@H](C)CCN1Cc1ccc(Cl)cc1[O-] ZINC001140465841 1091878017 /nfs/dbraw/zinc/87/80/17/1091878017.db2.gz RTLUVMQJVFELMS-BXUZGUMPSA-N -1 3 311.809 3.209 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC001140585272 1091921767 /nfs/dbraw/zinc/92/17/67/1091921767.db2.gz CNNCOWYEQWHJBA-AWEZNQCLSA-N -1 3 323.314 3.463 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2cccc(F)c2)CC1 ZINC001142530690 1092494149 /nfs/dbraw/zinc/49/41/49/1092494149.db2.gz KCCZJCXIJUEDSR-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccccc2-n2ccnc2)no1 ZINC001215145860 1093926860 /nfs/dbraw/zinc/92/68/60/1093926860.db2.gz NLCMMDGMFJYPAR-UHFFFAOYSA-N -1 3 320.308 3.001 20 10 DGCDHM Cc1cc(F)c(F)c(-c2noc(-c3cccc(O)c3[O-])n2)c1 ZINC001215145717 1093927067 /nfs/dbraw/zinc/92/70/67/1093927067.db2.gz DZNURXXRSLRMMG-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM O=C1CCCc2ccc(-c3noc(-c4ccc([O-])c(O)c4)n3)cc21 ZINC001215304337 1093956159 /nfs/dbraw/zinc/95/61/59/1093956159.db2.gz KYVXSMVCCPRMNS-UHFFFAOYSA-N -1 3 322.320 3.334 20 10 DGCDHM Cc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(Cl)c1 ZINC001215327562 1093961563 /nfs/dbraw/zinc/96/15/63/1093961563.db2.gz IHXLNYXGHPNQFD-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1c(F)ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1F ZINC001215327492 1093961780 /nfs/dbraw/zinc/96/17/80/1093961780.db2.gz DGFSSIIUCXDKBO-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM CC[C@H]1COC(C)(C)CN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000403832689 1094187520 /nfs/dbraw/zinc/18/75/20/1094187520.db2.gz NTOOTRJVJUETAP-AWEZNQCLSA-N -1 3 309.381 3.123 20 10 DGCDHM CCN(CC)c1nnc(-c2sc3ncccc3c2[O-])n1CC ZINC001121957480 1094845653 /nfs/dbraw/zinc/84/56/53/1094845653.db2.gz WZJWKYSGQBAIPN-UHFFFAOYSA-N -1 3 317.418 3.127 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001144300191 1095596700 /nfs/dbraw/zinc/59/67/00/1095596700.db2.gz WGTSKSCFXXKPOD-OVYXKVPISA-N -1 3 318.161 3.226 20 10 DGCDHM Cc1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)cc1 ZINC001137831556 1095755250 /nfs/dbraw/zinc/75/52/50/1095755250.db2.gz DYWMPKMBIYMREZ-UHFFFAOYSA-N -1 3 300.377 3.162 20 10 DGCDHM CC(C)(C)OC(=O)O[C@H]1CCN(Cc2c([O-])cccc2F)C1 ZINC001137831883 1095756223 /nfs/dbraw/zinc/75/62/23/1095756223.db2.gz QWKJHPPVUQTGJX-NSHDSACASA-N -1 3 311.353 3.057 20 10 DGCDHM Cc1ccccc1N1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137832012 1095756586 /nfs/dbraw/zinc/75/65/86/1095756586.db2.gz XAJPJAXYHIRHPH-UHFFFAOYSA-N -1 3 300.377 3.162 20 10 DGCDHM O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137841808 1095757680 /nfs/dbraw/zinc/75/76/80/1095757680.db2.gz VYRBVHYSXKOWDI-INIZCTEOSA-N -1 3 314.360 3.134 20 10 DGCDHM COc1ccc(-n2cccc2)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC001148218867 1096327454 /nfs/dbraw/zinc/32/74/54/1096327454.db2.gz KZGFNLOSHMQBOV-UHFFFAOYSA-N -1 3 324.336 3.149 20 10 DGCDHM CC(C)C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC001148224289 1096329645 /nfs/dbraw/zinc/32/96/45/1096329645.db2.gz GRGMWTBAHHUBKH-CQSZACIVSA-N -1 3 300.358 3.010 20 10 DGCDHM COc1cc(OC2CC2)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O ZINC001227393908 1096924324 /nfs/dbraw/zinc/92/43/24/1096924324.db2.gz ZKGFQPKAFLYYLN-UHFFFAOYSA-N -1 3 324.332 3.026 20 10 DGCDHM CCc1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC001228526124 1097135283 /nfs/dbraw/zinc/13/52/83/1097135283.db2.gz FCZYCKZSPNFWNE-UHFFFAOYSA-N -1 3 302.349 3.093 20 10 DGCDHM C[N@H+](CCc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452688 1097751848 /nfs/dbraw/zinc/75/18/48/1097751848.db2.gz RUGGFBDRVFYBQS-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452688 1097751852 /nfs/dbraw/zinc/75/18/52/1097751852.db2.gz RUGGFBDRVFYBQS-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453234 1097752894 /nfs/dbraw/zinc/75/28/94/1097752894.db2.gz DWQWGJPKJIHYQM-GORDUTHDSA-N -1 3 312.369 3.021 20 10 DGCDHM C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231453234 1097752898 /nfs/dbraw/zinc/75/28/98/1097752898.db2.gz DWQWGJPKJIHYQM-GORDUTHDSA-N -1 3 312.369 3.021 20 10 DGCDHM COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455282 1097753320 /nfs/dbraw/zinc/75/33/20/1097753320.db2.gz MHGHDAWPHPWWOF-GFCCVEGCSA-N -1 3 315.369 3.292 20 10 DGCDHM COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455282 1097753325 /nfs/dbraw/zinc/75/33/25/1097753325.db2.gz MHGHDAWPHPWWOF-GFCCVEGCSA-N -1 3 315.369 3.292 20 10 DGCDHM COc1cc2c(cn1)CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231871948 1097871284 /nfs/dbraw/zinc/87/12/84/1097871284.db2.gz RYGOAUOKEIVPCY-UHFFFAOYSA-N -1 3 318.804 3.316 20 10 DGCDHM COc1cc([O-])c(CN2CCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001232264034 1097987210 /nfs/dbraw/zinc/98/72/10/1097987210.db2.gz CQCQPFTYSAAMQW-LBPRGKRZSA-N -1 3 309.715 3.233 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H]2c2ncccn2)cc1Cl ZINC001232271512 1097989096 /nfs/dbraw/zinc/98/90/96/1097989096.db2.gz VNQKANSVHJNJGU-CYBMUJFWSA-N -1 3 319.792 3.181 20 10 DGCDHM [O-]c1c(CN2CCC(Oc3ccncc3)CC2)ccc(F)c1F ZINC001233075768 1098219715 /nfs/dbraw/zinc/21/97/15/1098219715.db2.gz CYMAWGSLBVWHRM-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1c(CN2CC[C@@H](OCc3ccccc3)C2)ccc(F)c1F ZINC001233077835 1098220586 /nfs/dbraw/zinc/22/05/86/1098220586.db2.gz ZGPWWZNGGSSKTA-OAHLLOKOSA-N -1 3 319.351 3.462 20 10 DGCDHM O=C(c1ccccc1)[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233078656 1098221461 /nfs/dbraw/zinc/22/14/61/1098221461.db2.gz CZTPDKSFFLMVPP-AWEZNQCLSA-N -1 3 317.335 3.375 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(c2ccccn2)CC1 ZINC001233334588 1098292638 /nfs/dbraw/zinc/29/26/38/1098292638.db2.gz MOEAWYZELATFND-UHFFFAOYSA-N -1 3 304.340 3.445 20 10 DGCDHM Cc1cnccc1O[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336300 1098293665 /nfs/dbraw/zinc/29/36/65/1098293665.db2.gz HBUZQLZJWUOOFN-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1c(CN2CC[C@@H](O)C(F)(F)C2)cccc1-c1ccccc1 ZINC001234996669 1098738907 /nfs/dbraw/zinc/73/89/07/1098738907.db2.gz LVNQUEGSNSJAFZ-MRXNPFEDSA-N -1 3 319.351 3.261 20 10 DGCDHM CC1(C)[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@@H]21 ZINC001235303673 1098951363 /nfs/dbraw/zinc/95/13/63/1098951363.db2.gz QATRTDVOAAUHII-PHIMTYICSA-N -1 3 314.198 3.382 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1noc2cc(F)ccc12 ZINC001179429531 1099091758 /nfs/dbraw/zinc/09/17/58/1099091758.db2.gz DPGWRLCYDRQQEL-UHFFFAOYSA-N -1 3 308.259 3.241 20 10 DGCDHM CCOC(=O)c1coc2c1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203663954 1099544620 /nfs/dbraw/zinc/54/46/20/1099544620.db2.gz HZYIJUBTAXMVEP-UHFFFAOYSA-N -1 3 321.760 3.331 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ncsc3C2)c(Cl)c1 ZINC001236802829 1099795852 /nfs/dbraw/zinc/79/58/52/1099795852.db2.gz KSBMLMCLYMSONB-UHFFFAOYSA-N -1 3 310.806 3.069 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H]2c2ncccn2)c(Cl)c1 ZINC001236806295 1099799156 /nfs/dbraw/zinc/79/91/56/1099799156.db2.gz UGFVEMLSERPWBS-CQSZACIVSA-N -1 3 319.792 3.181 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@](F)(CO)CC1 ZINC001237077061 1099954874 /nfs/dbraw/zinc/95/48/74/1099954874.db2.gz CDGILANHYWQDMB-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM CCOC(=O)[C@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080405 1099957985 /nfs/dbraw/zinc/95/79/85/1099957985.db2.gz BUHHSWUZZWZLHC-VIFPVBQESA-N -1 3 318.200 3.084 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@H](C)C2)cc1Br ZINC001237675969 1100210406 /nfs/dbraw/zinc/21/04/06/1100210406.db2.gz DHQOIDWHVADTKF-GHMZBOCLSA-N -1 3 314.223 3.072 20 10 DGCDHM C[C@H]1C(=O)N(C)CCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248883670 1105186712 /nfs/dbraw/zinc/18/67/12/1105186712.db2.gz MWTXYAKQWHNSDV-NSHDSACASA-N -1 3 324.852 3.006 20 10 DGCDHM Cc1cc(CN2CCC(=O)C[C@H]2C)c([O-])cc1Br ZINC001250120559 1105445782 /nfs/dbraw/zinc/44/57/82/1105445782.db2.gz IQPLDMVLPANSKJ-SNVBAGLBSA-N -1 3 312.207 3.017 20 10 DGCDHM [O-]c1c(O)cccc1-c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001254230372 1106041065 /nfs/dbraw/zinc/04/10/65/1106041065.db2.gz WQNYHPNLUPGXPO-UHFFFAOYSA-N -1 3 302.717 3.392 20 10 DGCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc(Cl)ccn1 ZINC001324859735 1108488088 /nfs/dbraw/zinc/48/80/88/1108488088.db2.gz WRNLZMKKBDPXDN-UHFFFAOYSA-N -1 3 309.112 3.177 20 10 DGCDHM CC(C)(C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001303878620 1111156675 /nfs/dbraw/zinc/15/66/75/1111156675.db2.gz PLHSNRUXNVIAHG-UHFFFAOYSA-N -1 3 305.324 3.264 20 10 DGCDHM C[C@@H](c1ccccc1)N(Cc1ncnn1C)Cc1ccccc1[O-] ZINC000179646493 432065720 /nfs/dbraw/zinc/06/57/20/432065720.db2.gz BEFOAGDONRMQNL-HNNXBMFYSA-N -1 3 322.412 3.284 20 10 DGCDHM Cc1noc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000179756263 432070400 /nfs/dbraw/zinc/07/04/00/432070400.db2.gz RDYYCEZDAQJLOP-UHFFFAOYSA-N -1 3 307.781 3.117 20 10 DGCDHM C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nncn1C ZINC000278664989 299344887 /nfs/dbraw/zinc/34/48/87/299344887.db2.gz IXRGPURGAWVBAL-YUMQZZPRSA-N -1 3 315.204 3.239 20 10 DGCDHM CCOc1ccc(N(CC)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000272534485 130038677 /nfs/dbraw/zinc/03/86/77/130038677.db2.gz AZHISIRFGKDRIB-UHFFFAOYSA-N -1 3 315.369 3.472 20 10 DGCDHM CCc1noc(CC)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273604012 130142769 /nfs/dbraw/zinc/14/27/69/130142769.db2.gz SODYCJPMUAYXSF-JTQLQIEISA-N -1 3 319.361 3.264 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289220302 131366696 /nfs/dbraw/zinc/36/66/96/131366696.db2.gz CLNQQGHMJJMSLD-ZDUSSCGKSA-N -1 3 323.742 3.325 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@H]2C)c1[O-] ZINC000852637022 620635979 /nfs/dbraw/zinc/63/59/79/620635979.db2.gz AQYADLOZDKPWJU-GFCCVEGCSA-N -1 3 321.392 3.267 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC3(CCCC3)OC[C@@H]2C)c1[O-] ZINC000852637024 620636345 /nfs/dbraw/zinc/63/63/45/620636345.db2.gz AQYADLOZDKPWJU-LBPRGKRZSA-N -1 3 321.392 3.267 20 10 DGCDHM CCN(C(=O)[C@H](C)N(C)Cc1ccccc1[O-])c1ccccc1 ZINC000111236475 431201226 /nfs/dbraw/zinc/20/12/26/431201226.db2.gz LQJMEKKHOCLYFE-HNNXBMFYSA-N -1 3 312.413 3.266 20 10 DGCDHM Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109769627 431180469 /nfs/dbraw/zinc/18/04/69/431180469.db2.gz ZOSYNQQDCSYJQQ-ZDUSSCGKSA-N -1 3 316.376 3.299 20 10 DGCDHM CN(CC(=O)N[C@@H](c1ccccc1)C1CC1)Cc1ccccc1[O-] ZINC000111235289 431199142 /nfs/dbraw/zinc/19/91/42/431199142.db2.gz VNJBQOYCMVUHFC-FQEVSTJZSA-N -1 3 324.424 3.092 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCOC2)C1 ZINC000093820374 431916963 /nfs/dbraw/zinc/91/69/63/431916963.db2.gz QVRLNLPNSGWLDN-CQSZACIVSA-N -1 3 302.201 3.311 20 10 DGCDHM C[C@@H](NCC1(C)OCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193065723 432444970 /nfs/dbraw/zinc/44/49/70/432444970.db2.gz OTZZUBXQOZAYAH-MRVPVSSYSA-N -1 3 306.189 3.113 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C1CC=CC1 ZINC000175845129 432471573 /nfs/dbraw/zinc/47/15/73/432471573.db2.gz COSKWAGLJQCTRO-UHFFFAOYSA-N -1 3 324.218 3.469 20 10 DGCDHM COC1(C)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000272387863 432493052 /nfs/dbraw/zinc/49/30/52/432493052.db2.gz UIDURLSMHKTEPN-UHFFFAOYSA-N -1 3 314.223 3.156 20 10 DGCDHM Cc1ccc(C[C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000185651188 432520719 /nfs/dbraw/zinc/52/07/19/432520719.db2.gz KOOYJTJDQBAIED-HNNXBMFYSA-N -1 3 311.381 3.254 20 10 DGCDHM CCc1nn(C)c(CC)c1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000186176864 432565581 /nfs/dbraw/zinc/56/55/81/432565581.db2.gz OXOOPFGQTXKHQG-LLVKDONJSA-N -1 3 305.397 3.240 20 10 DGCDHM CCc1cnc(CNCc2cc(Cl)cc(OC)c2[O-])s1 ZINC000230935049 432731671 /nfs/dbraw/zinc/73/16/71/432731671.db2.gz UZDXYOLXXDKNRR-UHFFFAOYSA-N -1 3 312.822 3.363 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCC3(C2)CCOCC3)c1[O-] ZINC000267343263 432833930 /nfs/dbraw/zinc/83/39/30/432833930.db2.gz CUVYDLANIQVYGH-UHFFFAOYSA-N -1 3 323.820 3.251 20 10 DGCDHM COc1c([O-])c(CN(C)[C@@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000278192200 432889684 /nfs/dbraw/zinc/88/96/84/432889684.db2.gz HZURNKLZLHKBKC-JTQLQIEISA-N -1 3 306.318 3.095 20 10 DGCDHM Cc1cccc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])c1C ZINC000277352137 432841217 /nfs/dbraw/zinc/84/12/17/432841217.db2.gz PNEYQRWIPVSDTF-GOSISDBHSA-N -1 3 311.381 3.154 20 10 DGCDHM C[C@]1(O)CCCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000279643043 432988766 /nfs/dbraw/zinc/98/87/66/432988766.db2.gz JMPHQVVWWQVAFK-AWEZNQCLSA-N -1 3 304.217 3.436 20 10 DGCDHM CCOCc1nc([C@@H](C)N[C@H](C)c2ccc(C)cc2[O-])no1 ZINC000290200343 433011380 /nfs/dbraw/zinc/01/13/80/433011380.db2.gz PCAOBAVCMGTDHM-VXGBXAGGSA-N -1 3 305.378 3.032 20 10 DGCDHM CO[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000374681368 433256705 /nfs/dbraw/zinc/25/67/05/433256705.db2.gz VCFJCIAQQJXFRB-AWEZNQCLSA-N -1 3 311.809 3.249 20 10 DGCDHM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCCO1 ZINC000281226235 433273782 /nfs/dbraw/zinc/27/37/82/433273782.db2.gz BZBGRRKNLVABNR-AWEZNQCLSA-N -1 3 311.809 3.249 20 10 DGCDHM CC(C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000291766340 433340634 /nfs/dbraw/zinc/34/06/34/433340634.db2.gz SDCFZFRMIKKTAQ-UHFFFAOYSA-N -1 3 304.321 3.464 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000375333997 433433385 /nfs/dbraw/zinc/43/33/85/433433385.db2.gz AYWFQAOLQHAIGB-CVEARBPZSA-N -1 3 323.820 3.392 20 10 DGCDHM COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447793 292843176 /nfs/dbraw/zinc/84/31/76/292843176.db2.gz FLNOIHAAEABZBF-MLGOLLRUSA-N -1 3 316.357 3.339 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCn2c(cc3ccccc32)C1 ZINC000377138373 433850910 /nfs/dbraw/zinc/85/09/10/433850910.db2.gz JKJVALWVCVZCMK-UHFFFAOYSA-N -1 3 322.364 3.099 20 10 DGCDHM CCC[C@]1(CO)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293938235 433932034 /nfs/dbraw/zinc/93/20/34/433932034.db2.gz OAJTWNRIKNIRQR-HNNXBMFYSA-N -1 3 301.789 3.169 20 10 DGCDHM Cc1cnn([C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)c1 ZINC000293835665 433888421 /nfs/dbraw/zinc/88/84/21/433888421.db2.gz GVJABBJADRWDSI-GFCCVEGCSA-N -1 3 309.772 3.137 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000294199725 434034864 /nfs/dbraw/zinc/03/48/64/434034864.db2.gz ORMRNJQYNKBCOQ-KRWDZBQOSA-N -1 3 309.365 3.465 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1ccc2c(c1)OCCO2 ZINC000294300083 434076900 /nfs/dbraw/zinc/07/69/00/434076900.db2.gz PXYLJGHQOYMCDG-UHFFFAOYSA-N -1 3 323.751 3.246 20 10 DGCDHM CC1(C)C[C@H](O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295331605 434312721 /nfs/dbraw/zinc/31/27/21/434312721.db2.gz XPPDETJCTJKRAN-LLVKDONJSA-N -1 3 301.789 3.168 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](c3ccco3)C2)c1[O-] ZINC000370169257 434610261 /nfs/dbraw/zinc/61/02/61/434610261.db2.gz NMMFUEXIXGTQJW-GFCCVEGCSA-N -1 3 303.333 3.316 20 10 DGCDHM Cc1nc([C@H]2CCCCN2Cc2cc(Cl)ccc2[O-])no1 ZINC000372839448 434858174 /nfs/dbraw/zinc/85/81/74/434858174.db2.gz RVKVURJHRMQGRJ-CYBMUJFWSA-N -1 3 307.781 3.464 20 10 DGCDHM CCc1noc(C)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293676013 335114774 /nfs/dbraw/zinc/11/47/74/335114774.db2.gz JZEVFNNRLDZIDI-SECBINFHSA-N -1 3 305.334 3.010 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCCOC(C)(C)C2)c1[O-] ZINC000314217351 333094172 /nfs/dbraw/zinc/09/41/72/333094172.db2.gz AKYDCYQHSAVDJA-UHFFFAOYSA-N -1 3 311.809 3.249 20 10 DGCDHM CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185177287 333204904 /nfs/dbraw/zinc/20/49/04/333204904.db2.gz WFRPNGCDGTWGES-LBPRGKRZSA-N -1 3 316.376 3.132 20 10 DGCDHM Cc1cc(CN[C@H](C)c2cc(Br)ccc2[O-])on1 ZINC000185356863 533733729 /nfs/dbraw/zinc/73/37/29/533733729.db2.gz DKVAKZBZOQMCFM-SECBINFHSA-N -1 3 311.179 3.302 20 10 DGCDHM CCCN(Cc1csc(NC(C)=O)n1)Cc1ccccc1[O-] ZINC000266538850 521692958 /nfs/dbraw/zinc/69/29/58/521692958.db2.gz ICFKZZDVPNDYOP-UHFFFAOYSA-N -1 3 319.430 3.219 20 10 DGCDHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C ZINC000265768591 522223894 /nfs/dbraw/zinc/22/38/94/522223894.db2.gz NSIXUVSMNVBBQX-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM CN(Cc1nc(C(F)(F)F)cs1)Cc1ccccc1[O-] ZINC000157253110 523552810 /nfs/dbraw/zinc/55/28/10/523552810.db2.gz QCBMEZJRVYVSTI-UHFFFAOYSA-N -1 3 302.321 3.500 20 10 DGCDHM [O-]c1ccccc1CN(Cc1cncs1)C[C@@H]1CCCO1 ZINC000160173924 526371430 /nfs/dbraw/zinc/37/14/30/526371430.db2.gz MXDMLBOYRGMWKD-AWEZNQCLSA-N -1 3 304.415 3.030 20 10 DGCDHM COCCN(C(=O)c1cc([O-])cs1)[C@@H](C)c1ccccc1 ZINC000732278403 574569313 /nfs/dbraw/zinc/56/93/13/574569313.db2.gz LMQLTQQGMGSNRQ-LBPRGKRZSA-N -1 3 305.399 3.304 20 10 DGCDHM O=C(NCc1ccc(OC(F)(F)F)cc1)c1cc([O-])cs1 ZINC000732263234 574569395 /nfs/dbraw/zinc/56/93/95/574569395.db2.gz MAQMXMCEXVBPEB-UHFFFAOYSA-N -1 3 317.288 3.282 20 10 DGCDHM COc1cc(C)c([C@H](C)NC(=O)c2cc([O-])cs2)cc1OC ZINC000732269614 574569478 /nfs/dbraw/zinc/56/94/78/574569478.db2.gz GKRMNNAKBFYUIN-JTQLQIEISA-N -1 3 321.398 3.270 20 10 DGCDHM O=C(Nc1ccc(N2CCCCC2)cn1)c1cc([O-])cs1 ZINC000732270864 574569548 /nfs/dbraw/zinc/56/95/48/574569548.db2.gz VYFOEZCACMZNOL-UHFFFAOYSA-N -1 3 303.387 3.091 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000732275926 574569930 /nfs/dbraw/zinc/56/99/30/574569930.db2.gz RYHZETLPEHVLKD-CYBMUJFWSA-N -1 3 305.374 3.440 20 10 DGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)COCc1ccccc1 ZINC000732276297 574570244 /nfs/dbraw/zinc/57/02/44/574570244.db2.gz PYSDNKSPQFEPGV-GFCCVEGCSA-N -1 3 305.399 3.036 20 10 DGCDHM CC(=O)N1CCCc2cc(NC(=O)c3cc([O-])cs3)ccc21 ZINC000732281591 574570359 /nfs/dbraw/zinc/57/03/59/574570359.db2.gz RPBZCUUZCKQUTD-UHFFFAOYSA-N -1 3 316.382 3.005 20 10 DGCDHM O=C(Nc1nc(Cc2ccccc2)ns1)c1cc([O-])cs1 ZINC000732290129 574570728 /nfs/dbraw/zinc/57/07/28/574570728.db2.gz PVZIOAOPEHGGAZ-UHFFFAOYSA-N -1 3 317.395 3.148 20 10 DGCDHM COc1ccc2c(c1)CCCN(C(=O)c1cc([O-])cs1)C2 ZINC000732286636 574570854 /nfs/dbraw/zinc/57/08/54/574570854.db2.gz TVYIEZPVIZJDCI-UHFFFAOYSA-N -1 3 303.383 3.051 20 10 DGCDHM Cc1cc(C)c(NC(=O)COC(=O)c2cc([O-])cs2)c(C)c1 ZINC000732354232 574572311 /nfs/dbraw/zinc/57/23/11/574572311.db2.gz PTWZZMJUROKAAC-UHFFFAOYSA-N -1 3 319.382 3.174 20 10 DGCDHM O=C(COC(=O)c1cc([O-])cs1)c1cc2ccccc2o1 ZINC000732355018 574572352 /nfs/dbraw/zinc/57/23/52/574572352.db2.gz ZYWDNQILPGJFMU-UHFFFAOYSA-N -1 3 302.307 3.240 20 10 DGCDHM CCc1cccc(NC(=O)CNCc2c([O-])cccc2Cl)c1 ZINC000733327662 574616392 /nfs/dbraw/zinc/61/63/92/574616392.db2.gz AQLLBKWCSHMMTM-UHFFFAOYSA-N -1 3 318.804 3.336 20 10 DGCDHM Cc1ccc(C(=O)NCCCSc2nccs2)c([O-])c1C ZINC000736682176 574802570 /nfs/dbraw/zinc/80/25/70/574802570.db2.gz LBBDVWDCFSEGDA-UHFFFAOYSA-N -1 3 322.455 3.378 20 10 DGCDHM O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000740202003 574928535 /nfs/dbraw/zinc/92/85/35/574928535.db2.gz GWEIYMZFXXOGQU-UHFFFAOYSA-N -1 3 320.348 3.154 20 10 DGCDHM O=C([O-])c1ccc2c(c1)C[N@H+](Cc1c([O-])ccc3ccncc31)C2 ZINC000740202003 574928536 /nfs/dbraw/zinc/92/85/36/574928536.db2.gz GWEIYMZFXXOGQU-UHFFFAOYSA-N -1 3 320.348 3.154 20 10 DGCDHM CN1C(=O)C2(CCCC2)N[C@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000742438850 575000152 /nfs/dbraw/zinc/00/01/52/575000152.db2.gz GGIOFEBBKFWHOG-GOSISDBHSA-N -1 3 322.408 3.432 20 10 DGCDHM CCCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(F)ccc1[O-] ZINC000742443759 575000422 /nfs/dbraw/zinc/00/04/22/575000422.db2.gz OHTORMXTZUYVML-MRXNPFEDSA-N -1 3 320.408 3.465 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCS[C@H](C(C)C)C2)c1[O-] ZINC000750826678 575753939 /nfs/dbraw/zinc/75/39/39/575753939.db2.gz ANTLXZIKMVXQRV-HNNXBMFYSA-N -1 3 311.422 3.307 20 10 DGCDHM Cc1ccc(C(=O)NCCc2cccc(Cl)c2)c([O-])c1O ZINC000751531081 575789098 /nfs/dbraw/zinc/78/90/98/575789098.db2.gz ZKARZOJDQNMERQ-UHFFFAOYSA-N -1 3 305.761 3.032 20 10 DGCDHM CCC(CC)c1nnc(NC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000751533308 575789421 /nfs/dbraw/zinc/78/94/21/575789421.db2.gz MILODAZGTYDCJD-UHFFFAOYSA-N -1 3 321.402 3.414 20 10 DGCDHM CCc1nc(C)cc(NCc2cccc(Br)c2[O-])n1 ZINC000804654391 617604254 /nfs/dbraw/zinc/60/42/54/617604254.db2.gz PGDCDKAORICURI-UHFFFAOYSA-N -1 3 322.206 3.428 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H]1C1CC1 ZINC000894882827 618486928 /nfs/dbraw/zinc/48/69/28/618486928.db2.gz LSALFFCBTJVNGU-GFCCVEGCSA-N -1 3 300.171 3.278 20 10 DGCDHM CC1(C)OCc2c1nc(Cl)nc2NCc1c([O-])cccc1F ZINC000895832924 618839186 /nfs/dbraw/zinc/83/91/86/618839186.db2.gz QNPNUJCCOKNATD-UHFFFAOYSA-N -1 3 323.755 3.352 20 10 DGCDHM Cn1nc(CNCc2cc(Cl)c(F)cc2[O-])cc1C1CC1 ZINC000897231044 619033308 /nfs/dbraw/zinc/03/33/08/619033308.db2.gz SOGKGCAYLHZCEM-UHFFFAOYSA-N -1 3 309.772 3.085 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000928708724 619059576 /nfs/dbraw/zinc/05/95/76/619059576.db2.gz RQXOXUYFZCLQBN-DTWKUNHWSA-N -1 3 305.271 3.126 20 10 DGCDHM C[C@H](NCc1cc(C2CC2)n(C)n1)c1cc(F)cc(F)c1[O-] ZINC000927108383 619266680 /nfs/dbraw/zinc/26/66/80/619266680.db2.gz NQCGNBADVMUBTG-VIFPVBQESA-N -1 3 307.344 3.132 20 10 DGCDHM O=C(NCC[C@H]1CCC(F)(F)C1)NCc1c([O-])cccc1F ZINC000898491934 619279730 /nfs/dbraw/zinc/27/97/30/619279730.db2.gz VQGXOXJWAACPSI-SNVBAGLBSA-N -1 3 316.323 3.156 20 10 DGCDHM C[C@H](N[C@@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903326703 619761649 /nfs/dbraw/zinc/76/16/49/619761649.db2.gz MUWKNKVFYZKIBL-LKFCYVNXSA-N -1 3 305.328 3.262 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccc(-n2nccn2)cc1 ZINC000149175465 620104778 /nfs/dbraw/zinc/10/47/78/620104778.db2.gz GFVRFXFHWCPEBH-UHFFFAOYSA-N -1 3 300.749 3.238 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1Cl ZINC000151874375 620478929 /nfs/dbraw/zinc/47/89/29/620478929.db2.gz XDXAAEVPYNXMHF-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM CCn1cc(CN(C)Cc2c([O-])cccc2Br)cn1 ZINC000862244941 621566863 /nfs/dbraw/zinc/56/68/63/621566863.db2.gz HYXAKIOXOJHVSB-UHFFFAOYSA-N -1 3 324.222 3.003 20 10 DGCDHM C[C@H](NCc1cn2ccsc2n1)c1cc(F)cc(F)c1[O-] ZINC000756455071 621639511 /nfs/dbraw/zinc/63/95/11/621639511.db2.gz IOBFDBQQSYZHMJ-QMMMGPOBSA-N -1 3 309.341 3.230 20 10 DGCDHM C[C@@H](NCc1cn2ccsc2n1)c1cc(F)cc(F)c1[O-] ZINC000756455070 621639634 /nfs/dbraw/zinc/63/96/34/621639634.db2.gz IOBFDBQQSYZHMJ-MRVPVSSYSA-N -1 3 309.341 3.230 20 10 DGCDHM CC(=O)NCc1ccc(N[C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000757606146 621727926 /nfs/dbraw/zinc/72/79/26/621727926.db2.gz YQPUKEUIOGVBMW-LLVKDONJSA-N -1 3 302.349 3.341 20 10 DGCDHM CC(=O)NCc1ccc(N[C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000757606148 621727991 /nfs/dbraw/zinc/72/79/91/621727991.db2.gz YQPUKEUIOGVBMW-NSHDSACASA-N -1 3 302.349 3.341 20 10 DGCDHM CN(C)Cc1ccc(NCc2ccc(F)c(F)c2[O-])cc1F ZINC000864031251 621729278 /nfs/dbraw/zinc/72/92/78/621729278.db2.gz YPBFFPDNSLQRKQ-UHFFFAOYSA-N -1 3 310.319 3.483 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])cc1 ZINC000122709442 622389211 /nfs/dbraw/zinc/38/92/11/622389211.db2.gz FFXVDCNHARXUMP-UHFFFAOYSA-N -1 3 317.360 3.375 20 10 DGCDHM COc1c([O-])c(CNc2ccc(Cl)nc2C)ccc1[N+](=O)[O-] ZINC000789776458 625564659 /nfs/dbraw/zinc/56/46/59/625564659.db2.gz FQSLZUATVDTWAQ-UHFFFAOYSA-N -1 3 323.736 3.278 20 10 DGCDHM CCC(CC)C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768334136 622450476 /nfs/dbraw/zinc/45/04/76/622450476.db2.gz MCLPNFGMUGYHLI-UHFFFAOYSA-N -1 3 324.852 3.126 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(C2CCC2)CC1 ZINC000769410398 622525605 /nfs/dbraw/zinc/52/56/05/622525605.db2.gz CBSPQAMGYNBSKC-UHFFFAOYSA-N -1 3 315.244 3.369 20 10 DGCDHM COc1c([O-])c(CNc2ccc(C)c(F)c2)ccc1[N+](=O)[O-] ZINC000774916704 623207697 /nfs/dbraw/zinc/20/76/97/623207697.db2.gz WKDKLKYVCSEWGO-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCN(Cc2ccsc2)CC1 ZINC000775645929 623301689 /nfs/dbraw/zinc/30/16/89/623301689.db2.gz BKPLSVYAGBMXBY-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM C[C@@H]1CN(C)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775987673 623361363 /nfs/dbraw/zinc/36/13/63/623361363.db2.gz VZQRUYNTGBPJGI-VHSXEESVSA-N -1 3 303.233 3.223 20 10 DGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cc(F)ccc1F ZINC000776661505 623449614 /nfs/dbraw/zinc/44/96/14/623449614.db2.gz QLWAKTBYMPVHSC-CYBMUJFWSA-N -1 3 307.296 3.257 20 10 DGCDHM CC(C)(C)Oc1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790570814 625671465 /nfs/dbraw/zinc/67/14/65/625671465.db2.gz HEYXLHWIIDKDAO-UHFFFAOYSA-N -1 3 315.369 3.205 20 10 DGCDHM Cc1c(CNC(=O)c2cccc(O)c2[O-])oc2ccc(F)cc12 ZINC000790580375 625673014 /nfs/dbraw/zinc/67/30/14/625673014.db2.gz ORAIKBUXJJXJJP-UHFFFAOYSA-N -1 3 315.300 3.222 20 10 DGCDHM O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1[O-] ZINC000779541774 623778278 /nfs/dbraw/zinc/77/82/78/623778278.db2.gz JVBWRNMMFLRFGL-QHHAFSJGSA-N -1 3 305.717 3.109 20 10 DGCDHM CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877475121 623899620 /nfs/dbraw/zinc/89/96/20/623899620.db2.gz MBJWBIMVHKMFAO-RKDXNWHRSA-N -1 3 310.348 3.153 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](C)c1ccc(F)cc1 ZINC000790744275 625692137 /nfs/dbraw/zinc/69/21/37/625692137.db2.gz AMAJXWUOSPAHDR-LLVKDONJSA-N -1 3 303.333 3.460 20 10 DGCDHM COc1ccc(Cl)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000780908070 623996142 /nfs/dbraw/zinc/99/61/42/623996142.db2.gz NTHDQSRKWHHAPL-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC(C)C ZINC000787630600 625025469 /nfs/dbraw/zinc/02/54/69/625025469.db2.gz QMQTWCTVENDPKQ-UHFFFAOYSA-N -1 3 301.342 3.446 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cn2ccccc2n1 ZINC000790947669 625720436 /nfs/dbraw/zinc/72/04/36/625720436.db2.gz VXKWIGOBKYPMQA-UHFFFAOYSA-N -1 3 305.740 3.122 20 10 DGCDHM C[C@@](CO)(NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790966658 625724914 /nfs/dbraw/zinc/72/49/14/625724914.db2.gz YHKVDQREQANTDP-INIZCTEOSA-N -1 3 309.768 3.182 20 10 DGCDHM COC[C@@H](NCc1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000883167158 625950720 /nfs/dbraw/zinc/95/07/20/625950720.db2.gz REFNJCSWXKEFBW-MRXNPFEDSA-N -1 3 323.339 3.156 20 10 DGCDHM CN1C(=O)COc2cc(NCc3c([O-])cccc3Cl)ccc21 ZINC000798503940 626222212 /nfs/dbraw/zinc/22/22/12/626222212.db2.gz QVSQOEYJGGEPJO-UHFFFAOYSA-N -1 3 318.760 3.013 20 10 DGCDHM [O-]c1ccc2oc3c(c2c1CN1CCO[C@H](CF)C1)CCCC3 ZINC000840172186 626907677 /nfs/dbraw/zinc/90/76/77/626907677.db2.gz NEBCRIKAAPXWST-GFCCVEGCSA-N -1 3 319.376 3.188 20 10 DGCDHM COCc1nc(CN[C@@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000810253153 626992901 /nfs/dbraw/zinc/99/29/01/626992901.db2.gz MYWAKVXHVTUVTK-QMMMGPOBSA-N -1 3 314.357 3.124 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccc1O ZINC000136488601 627092420 /nfs/dbraw/zinc/09/24/20/627092420.db2.gz MXAFSMXGOISMMM-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1c([O-])cccc1F ZINC000886497014 627153209 /nfs/dbraw/zinc/15/32/09/627153209.db2.gz OMNVTMQAALMNCB-LBPRGKRZSA-N -1 3 316.376 3.084 20 10 DGCDHM C[C@H](NC1(C(=O)Nc2ccccc2)CC1)c1c([O-])cccc1F ZINC000886594150 627169473 /nfs/dbraw/zinc/16/94/73/627169473.db2.gz GUPIRHGTPDOSEK-LBPRGKRZSA-N -1 3 314.360 3.353 20 10 DGCDHM CNC(=O)C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605044 627171572 /nfs/dbraw/zinc/17/15/72/627171572.db2.gz IMSYXFMRRGDFEJ-SWLSCSKDSA-N -1 3 316.376 3.059 20 10 DGCDHM C[C@@H](N[C@@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630307 627176805 /nfs/dbraw/zinc/17/68/05/627176805.db2.gz ZNLQOIUMQPZPQV-ABAIWWIYSA-N -1 3 307.340 3.445 20 10 DGCDHM CC[C@H](NCc1nonc1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000811506775 627283320 /nfs/dbraw/zinc/28/33/20/627283320.db2.gz FGQQHCGXZFEMHW-NSHDSACASA-N -1 3 315.295 3.343 20 10 DGCDHM Cc1ccc2nc(CNCc3cc(Cl)cc(F)c3[O-])cn2c1 ZINC000811634384 627297210 /nfs/dbraw/zinc/29/72/10/627297210.db2.gz MWOGZKONQJXAGW-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM CC(C)CO[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816520148 627801199 /nfs/dbraw/zinc/80/11/99/627801199.db2.gz HNFNSTGRROKXOR-LBPRGKRZSA-N -1 3 301.789 3.432 20 10 DGCDHM CC[C@@H]1CN(C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000816660880 627821604 /nfs/dbraw/zinc/82/16/04/627821604.db2.gz SQIAQIMMJWCSNA-GFCCVEGCSA-N -1 3 303.233 3.225 20 10 DGCDHM CC(C)[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000816674776 627823189 /nfs/dbraw/zinc/82/31/89/627823189.db2.gz KKFSXZACHZVAKV-CQSZACIVSA-N -1 3 301.789 3.432 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)CC23CCC3)c1[O-] ZINC000817289799 627878949 /nfs/dbraw/zinc/87/89/49/627878949.db2.gz DIHAGEOMMOEOJM-CQSZACIVSA-N -1 3 323.820 3.128 20 10 DGCDHM C[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412540 627896145 /nfs/dbraw/zinc/89/61/45/627896145.db2.gz MJWQCBXQVVECKO-UWVGGRQHSA-N -1 3 304.217 3.149 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)CCN3)c1 ZINC000817950661 627972477 /nfs/dbraw/zinc/97/24/77/627972477.db2.gz WAPMCLWPRJZNDO-LLVKDONJSA-N -1 3 312.369 3.320 20 10 DGCDHM CC(C)c1ncc(Cl)c(C(=O)NCc2c([O-])cccc2F)n1 ZINC000928712009 628180300 /nfs/dbraw/zinc/18/03/00/628180300.db2.gz NBHRPHHJTIANIQ-UHFFFAOYSA-N -1 3 323.755 3.028 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000928710251 628180327 /nfs/dbraw/zinc/18/03/27/628180327.db2.gz RGKMHVPTSSFTFE-ZIAGYGMSSA-N -1 3 317.335 3.480 20 10 DGCDHM CC(C)(C)c1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC000928712697 628180655 /nfs/dbraw/zinc/18/06/55/628180655.db2.gz WLLMEOFRPMFCDD-UHFFFAOYSA-N -1 3 308.378 3.215 20 10 DGCDHM [O-]c1c(F)cccc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525356 628461412 /nfs/dbraw/zinc/46/14/12/628461412.db2.gz FGLPKDFABOJFCR-HZPDHXFCSA-N -1 3 321.779 3.493 20 10 DGCDHM Cc1cc([O-])c(CN(CCCO)CC(F)(F)F)cc1Cl ZINC000824710564 628685754 /nfs/dbraw/zinc/68/57/54/628685754.db2.gz VZZIJBFIFIELRO-UHFFFAOYSA-N -1 3 311.731 3.101 20 10 DGCDHM [O-]c1cc(Br)ccc1CN(CC(F)F)C1CC1 ZINC000824761985 628690928 /nfs/dbraw/zinc/69/09/28/628690928.db2.gz MEUPHOCOLYDOKM-UHFFFAOYSA-N -1 3 306.150 3.384 20 10 DGCDHM C[C@@H]1C[C@H](NCc2cccc(Br)c2[O-])c2nccn21 ZINC000825017679 628716774 /nfs/dbraw/zinc/71/67/74/628716774.db2.gz XDBWVJZTRWCUSP-SKDRFNHKSA-N -1 3 322.206 3.147 20 10 DGCDHM CC[C@]1(C)CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000825634425 628779851 /nfs/dbraw/zinc/77/98/51/628779851.db2.gz NFURHNCILMFTQZ-CQSZACIVSA-N -1 3 314.223 3.156 20 10 DGCDHM Cc1c(NCc2cc(Cl)ccc2O)cccc1-c1nn[n-]n1 ZINC000826242131 628835559 /nfs/dbraw/zinc/83/55/59/628835559.db2.gz BCNDWKJNNVFGIB-UHFFFAOYSA-N -1 3 315.764 3.146 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC000827538348 628969523 /nfs/dbraw/zinc/96/95/23/628969523.db2.gz OTXDHDLIHHKFJS-UHFFFAOYSA-N -1 3 307.821 3.437 20 10 DGCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](CC(F)(F)F)O1 ZINC000827787095 628991236 /nfs/dbraw/zinc/99/12/36/628991236.db2.gz MIOJUKQUNMDJQU-BXKDBHETSA-N -1 3 307.287 3.073 20 10 DGCDHM CCc1cc(CN2CC[C@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218863 629240361 /nfs/dbraw/zinc/24/03/61/629240361.db2.gz VLUDVAABZBQHEP-GOSISDBHSA-N -1 3 323.408 3.251 20 10 DGCDHM CCc1nnc(NCc2cc(C)cc(Br)c2[O-])o1 ZINC000834478532 629715552 /nfs/dbraw/zinc/71/55/52/629715552.db2.gz JBKBCMDWVJCLLV-UHFFFAOYSA-N -1 3 312.167 3.021 20 10 DGCDHM COc1ccc(CN(C)Cc2c([O-])cc(C)cc2Cl)cn1 ZINC000840940025 630381360 /nfs/dbraw/zinc/38/13/60/630381360.db2.gz UGTWTMAJXRFPDZ-UHFFFAOYSA-N -1 3 306.793 3.390 20 10 DGCDHM COc1cccc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000105460062 630712513 /nfs/dbraw/zinc/71/25/13/630712513.db2.gz QOIPZSSTFVDFPB-UHFFFAOYSA-N -1 3 313.184 3.392 20 10 DGCDHM CC[C@H](NCc1nnn(C(C)(C)C)n1)c1cc(Cl)ccc1[O-] ZINC000848560880 631693191 /nfs/dbraw/zinc/69/31/91/631693191.db2.gz MNHIRIKKVCZWJG-LBPRGKRZSA-N -1 3 323.828 3.028 20 10 DGCDHM CC[C@H](NCc1ncccn1)c1cc(Br)ccc1[O-] ZINC000702331303 660721808 /nfs/dbraw/zinc/72/18/08/660721808.db2.gz SYLHOXOPTBWGLW-LBPRGKRZSA-N -1 3 322.206 3.186 20 10 DGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)[C@@H](C)CO1 ZINC000707143454 660887824 /nfs/dbraw/zinc/88/78/24/660887824.db2.gz SHQUEZHEJBJJKV-QWRGUYRKSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@]1(C)COCCN1Cc1c([O-])cccc1Br ZINC000707129707 660889767 /nfs/dbraw/zinc/88/97/67/660889767.db2.gz LLHLUCPAEBHIHP-CQSZACIVSA-N -1 3 314.223 3.156 20 10 DGCDHM CC(C)[C@@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000709000156 660923508 /nfs/dbraw/zinc/92/35/08/660923508.db2.gz KTOWUXXDIRPULP-AWEZNQCLSA-N -1 3 314.223 3.012 20 10 DGCDHM CC(C)(C)C[C@H](NC(=O)c1cccc(O)c1[O-])C(F)(F)F ZINC000187220539 660970421 /nfs/dbraw/zinc/97/04/21/660970421.db2.gz XEZZZEOJSURUHL-JTQLQIEISA-N -1 3 305.296 3.195 20 10 DGCDHM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cccc(O)c1[O-] ZINC000794373714 661081612 /nfs/dbraw/zinc/08/16/12/661081612.db2.gz YVLDTZMQHKKUCI-AULYBMBSSA-N -1 3 317.772 3.427 20 10 DGCDHM O=C(N[C@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(O)c1[O-] ZINC000794279791 661076253 /nfs/dbraw/zinc/07/62/53/661076253.db2.gz KIIJSFBJMXFVPZ-JSGCOSHPSA-N -1 3 315.344 3.303 20 10 DGCDHM O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1cccc(O)c1[O-] ZINC000798008192 661187303 /nfs/dbraw/zinc/18/73/03/661187303.db2.gz BZJARNIYBTVJNQ-QWHCGFSZSA-N -1 3 303.745 3.037 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc(C)c1F ZINC000174728859 659544105 /nfs/dbraw/zinc/54/41/05/659544105.db2.gz SCZJAXXFFYJABM-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM CCOc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182138526 660035884 /nfs/dbraw/zinc/03/58/84/660035884.db2.gz LBQAEMCAIYFMGK-UHFFFAOYSA-N -1 3 301.342 3.366 20 10 DGCDHM Cc1nn(-c2ccccc2)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182626880 660067887 /nfs/dbraw/zinc/06/78/87/660067887.db2.gz SPBQDCKOYJPJQD-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H](C)C2)c1[O-] ZINC000190426722 662032288 /nfs/dbraw/zinc/03/22/88/662032288.db2.gz YQGGURCPEMMYRD-JTQLQIEISA-N -1 3 313.850 3.433 20 10 DGCDHM O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000193088991 662122290 /nfs/dbraw/zinc/12/22/90/662122290.db2.gz YWTWEQCWNBCYMC-UHFFFAOYSA-N -1 3 311.259 3.455 20 10 DGCDHM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193100909 662122764 /nfs/dbraw/zinc/12/27/64/662122764.db2.gz QRRKOBZETMEZLI-ABAIWWIYSA-N -1 3 315.344 3.460 20 10 DGCDHM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193100881 662122889 /nfs/dbraw/zinc/12/28/89/662122889.db2.gz QRRKOBZETMEZLI-IAQYHMDHSA-N -1 3 315.344 3.460 20 10 DGCDHM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193104488 662123244 /nfs/dbraw/zinc/12/32/44/662123244.db2.gz IYSHBOGNHBHEHA-ABAIWWIYSA-N -1 3 315.344 3.460 20 10 DGCDHM COc1ncccc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000037650371 662205551 /nfs/dbraw/zinc/20/55/51/662205551.db2.gz RFKJQXZARIKILU-UHFFFAOYSA-N -1 3 313.184 3.392 20 10 DGCDHM CC[C@@H]1CN(Cc2cccc(Br)c2[O-])CCS1 ZINC000093502251 662355875 /nfs/dbraw/zinc/35/58/75/662355875.db2.gz YRWPDMZLNQJYFD-LLVKDONJSA-N -1 3 316.264 3.482 20 10 DGCDHM CSCc1cc(C(=O)NCc2c([O-])cccc2F)ccc1F ZINC001596913052 1192710101 /nfs/dbraw/zinc/71/01/01/1192710101.db2.gz UQCPCYYKLQMWOY-UHFFFAOYSA-N -1 3 323.364 3.463 20 10 DGCDHM O=S(=O)(CC1CCCCC1)Nc1ccc([O-])c(Cl)c1 ZINC000085204610 1177522185 /nfs/dbraw/zinc/52/21/85/1177522185.db2.gz VORAQEPIKQVPKT-UHFFFAOYSA-N -1 3 303.811 3.368 20 10 DGCDHM C[C@H](NCc1cc(F)ccc1F)c1cc(C(=O)[O-])ccc1O ZINC001604341911 1193066871 /nfs/dbraw/zinc/06/68/71/1193066871.db2.gz MOPYKWAZBZZIDZ-VIFPVBQESA-N -1 3 307.296 3.219 20 10 DGCDHM C[C@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604346884 1193067741 /nfs/dbraw/zinc/06/77/41/1193067741.db2.gz SZUZKMMNFBYOGF-LBPRGKRZSA-N -1 3 311.381 3.430 20 10 DGCDHM O=C(CSc1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001456102734 1182397864 /nfs/dbraw/zinc/39/78/64/1182397864.db2.gz UQAGWXLLTCZFPL-UHFFFAOYSA-N -1 3 309.337 3.079 20 10 DGCDHM Cc1cc2nc(NC(=O)c3cccc(O)c3[O-])sc2cc1F ZINC001457077422 1182443195 /nfs/dbraw/zinc/44/31/95/1182443195.db2.gz APBWPWLFFHMZOR-UHFFFAOYSA-N -1 3 318.329 3.407 20 10 DGCDHM CCc1cccc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001605830336 1193177498 /nfs/dbraw/zinc/17/74/98/1193177498.db2.gz HJLVTVFKKPJWMV-UHFFFAOYSA-N -1 3 303.358 3.186 20 10 DGCDHM CCOC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001462119053 1182910531 /nfs/dbraw/zinc/91/05/31/1182910531.db2.gz GIUKOTIJJCMXRD-CQSZACIVSA-N -1 3 311.809 3.352 20 10 DGCDHM CN1CCCc2cc(CNCc3ccsc3C(=O)[O-])ccc21 ZINC001606230060 1193195285 /nfs/dbraw/zinc/19/52/85/1193195285.db2.gz NMDGGUHVOWIHTM-UHFFFAOYSA-N -1 3 316.426 3.119 20 10 DGCDHM C[S@](=O)(=NC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC001607005498 1193209879 /nfs/dbraw/zinc/20/98/79/1193209879.db2.gz MYEIULWUEKUVKP-LJQANCHMSA-N -1 3 315.803 3.404 20 10 DGCDHM O=C(N[C@H]1CCCc2c(F)cc(F)cc21)c1cccc(O)c1[O-] ZINC001468493977 1183337723 /nfs/dbraw/zinc/33/77/23/1183337723.db2.gz IFTNKXNZZUNKNN-AWEZNQCLSA-N -1 3 319.307 3.183 20 10 DGCDHM O=C([O-])CCCC[N@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001608712513 1193301046 /nfs/dbraw/zinc/30/10/46/1193301046.db2.gz HOYKILYIEQOABZ-UHFFFAOYSA-N -1 3 303.358 3.242 20 10 DGCDHM O=C([O-])CCCC[N@@H+](Cc1ccco1)Cc1ccccc1[O-] ZINC001608712513 1193301048 /nfs/dbraw/zinc/30/10/48/1193301048.db2.gz HOYKILYIEQOABZ-UHFFFAOYSA-N -1 3 303.358 3.242 20 10 DGCDHM C[C@@H]([NH2+]CCCOc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779756 1193356025 /nfs/dbraw/zinc/35/60/25/1193356025.db2.gz NRTNTQZMMDOVND-CYBMUJFWSA-N -1 3 315.369 3.210 20 10 DGCDHM C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609755260 1193354321 /nfs/dbraw/zinc/35/43/21/1193354321.db2.gz YTNCTARQIGXANQ-RYUDHWBXSA-N -1 3 315.369 3.078 20 10 DGCDHM C[C@@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778266 1193355448 /nfs/dbraw/zinc/35/54/48/1193355448.db2.gz YKHCGBQDGBZDPJ-ABAIWWIYSA-N -1 3 304.415 3.291 20 10 DGCDHM COc1ccc(C[NH2+][C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c([O-])c1 ZINC001610335782 1193383034 /nfs/dbraw/zinc/38/30/34/1193383034.db2.gz LMPLJTYEBMCRDS-UKRRQHHQSA-N -1 3 321.417 3.304 20 10 DGCDHM CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001557969633 1189096115 /nfs/dbraw/zinc/09/61/15/1189096115.db2.gz YINPKQQTTKOUJQ-JTQLQIEISA-N -1 3 303.383 3.311 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(-n2cccc2)cc1 ZINC001558456603 1189126370 /nfs/dbraw/zinc/12/63/70/1189126370.db2.gz ZHKDIXKDAPDBLG-UHFFFAOYSA-N -1 3 310.328 3.252 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@H](C(F)(F)F)O1 ZINC001560632889 1189353052 /nfs/dbraw/zinc/35/30/52/1189353052.db2.gz ZNSJXJVSZICILL-PELKAZGASA-N -1 3 309.715 3.197 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@](C)(C(F)F)O1 ZINC001560938364 1189408493 /nfs/dbraw/zinc/40/84/93/1189408493.db2.gz CLYPNVZPGQAPQU-OTYXRUKQSA-N -1 3 305.752 3.290 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@](C)(C(F)F)O1 ZINC001560938366 1189408756 /nfs/dbraw/zinc/40/87/56/1189408756.db2.gz CLYPNVZPGQAPQU-YMTOWFKASA-N -1 3 305.752 3.290 20 10 DGCDHM COc1ccc2nc(CNCc3c([O-])cccc3F)sc2c1 ZINC001561015968 1189420603 /nfs/dbraw/zinc/42/06/03/1189420603.db2.gz LSPJFJJGEWEALT-UHFFFAOYSA-N -1 3 318.373 3.439 20 10 DGCDHM Cc1cc([O-])c(CN2CC(F)(F)OC(F)(F)C2)cc1Cl ZINC001561015408 1189420753 /nfs/dbraw/zinc/42/07/53/1189420753.db2.gz VHQUFWBQUOCSQE-UHFFFAOYSA-N -1 3 313.678 3.372 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1C[C@@H]1C1CCCC1 ZINC001565481155 1189649654 /nfs/dbraw/zinc/64/96/54/1189649654.db2.gz HWFWONKZMARMBR-QWHCGFSZSA-N -1 3 306.381 3.157 20 10 DGCDHM COc1ccc2c(c1)N(Cc1ccc(Cl)cc1[O-])CCO2 ZINC001621228732 1193820067 /nfs/dbraw/zinc/82/00/67/1193820067.db2.gz JQADRLYLGYRONS-UHFFFAOYSA-N -1 3 305.761 3.453 20 10 DGCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)c2n[nH]cc21 ZINC001623055703 1193918614 /nfs/dbraw/zinc/91/86/14/1193918614.db2.gz YHOACBODEZFPCF-UHFFFAOYSA-N -1 3 314.320 3.038 20 10 DGCDHM CCOCc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001623155526 1193920619 /nfs/dbraw/zinc/92/06/19/1193920619.db2.gz CNSKLWKOYRZRPS-UHFFFAOYSA-N -1 3 318.348 3.390 20 10 DGCDHM CC1(C)CCc2cccc(NC(=O)c3cccc(O)c3[O-])c2O1 ZINC001630038725 1194266007 /nfs/dbraw/zinc/26/60/07/1194266007.db2.gz HBHDZYQAMKDSGB-UHFFFAOYSA-N -1 3 313.353 3.454 20 10 DGCDHM CC[C@H]1CCCC[C@H]1OCC(=O)NCc1c([O-])cccc1F ZINC001635361151 1194546640 /nfs/dbraw/zinc/54/66/40/1194546640.db2.gz YDANCAUJDKDJGP-BLLLJJGKSA-N -1 3 309.381 3.133 20 10 DGCDHM CCCOc1cc(C)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC001635431790 1194552248 /nfs/dbraw/zinc/55/22/48/1194552248.db2.gz SLTLVEXQPOHAON-UHFFFAOYSA-N -1 3 315.369 3.125 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2OCCF)c([O-])c1O ZINC001637306795 1194662537 /nfs/dbraw/zinc/66/25/37/1194662537.db2.gz ICPGWNDWRXZOSM-UHFFFAOYSA-N -1 3 305.305 3.007 20 10 DGCDHM Cc1ccccc1OCCCC(=O)NCc1c([O-])cccc1F ZINC001638858054 1194741581 /nfs/dbraw/zinc/74/15/81/1194741581.db2.gz FQTPWMFQKDQTCN-UHFFFAOYSA-N -1 3 317.360 3.315 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ncoc1-c1ccccc1 ZINC001645048311 1195152198 /nfs/dbraw/zinc/15/21/98/1195152198.db2.gz PJNWCHMTKKJGDY-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c2ccccc2n1 ZINC001646029311 1195211251 /nfs/dbraw/zinc/21/12/51/1195211251.db2.gz WENSKRRFRHPPKP-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCN(c2ccccc2O)CC1 ZINC001651894079 1195521240 /nfs/dbraw/zinc/52/12/40/1195521240.db2.gz FBVTWJSROADYMI-UHFFFAOYSA-N -1 3 318.804 3.073 20 10 DGCDHM CO[C@@H]1Cc2ccc(NCc3cc(F)c(F)cc3[O-])cc2C1 ZINC001652186935 1195560174 /nfs/dbraw/zinc/56/01/74/1195560174.db2.gz KPPZOTGPBJHFJE-CQSZACIVSA-N -1 3 305.324 3.396 20 10 DGCDHM O=C(CCc1cc(Cl)cs1)NCc1c([O-])cccc1F ZINC001652297930 1195577568 /nfs/dbraw/zinc/57/75/68/1195577568.db2.gz CASUCHNESSSHRD-UHFFFAOYSA-N -1 3 313.781 3.495 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]1c1c(F)cccc1F ZINC001652298747 1195578403 /nfs/dbraw/zinc/57/84/03/1195578403.db2.gz PSWUIFBTXYEJHX-ZJUUUORDSA-N -1 3 321.298 3.229 20 10 DGCDHM Cc1cccc2c(CC(=O)NCc3c([O-])cccc3F)c[nH]c21 ZINC001652298711 1195578436 /nfs/dbraw/zinc/57/84/36/1195578436.db2.gz NYAGIKVQCAYWPB-UHFFFAOYSA-N -1 3 312.344 3.180 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](c2ccncn2)C1 ZINC001657488136 1196148184 /nfs/dbraw/zinc/14/81/84/1196148184.db2.gz SXEUPMFTQYGDKB-LLVKDONJSA-N -1 3 321.783 3.354 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1ccc(OC(F)F)nc1 ZINC001657885665 1196190891 /nfs/dbraw/zinc/19/08/91/1196190891.db2.gz ADGPMZLSMYYLIL-UHFFFAOYSA-N -1 3 302.227 3.279 20 10 DGCDHM C[C@@H](NCc1cc(F)c(F)cc1[O-])c1c(F)cncc1F ZINC001658061386 1196208453 /nfs/dbraw/zinc/20/84/53/1196208453.db2.gz SEVUWULFESEZKW-SSDOTTSWSA-N -1 3 300.255 3.194 20 10 DGCDHM CC[C@@H]1CN(CC)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001658102533 1196211896 /nfs/dbraw/zinc/21/18/96/1196211896.db2.gz PYLSEPXRIUNEJS-CYBMUJFWSA-N -1 3 300.805 3.101 20 10 DGCDHM Cc1noc(-c2ccc(NCc3ccc(Cl)cc3[O-])cn2)n1 ZINC001658140294 1196215782 /nfs/dbraw/zinc/21/57/82/1196215782.db2.gz PTRYPYJVSKNVPZ-UHFFFAOYSA-N -1 3 316.748 3.411 20 10 DGCDHM Cn1cc(NCc2cc(F)c(F)cc2[O-])c(-c2ccccn2)n1 ZINC001658836373 1196306615 /nfs/dbraw/zinc/30/66/15/1196306615.db2.gz XRCOLIGHIJKVNS-UHFFFAOYSA-N -1 3 316.311 3.078 20 10 DGCDHM CC[C@@H]1CN(CC)CCN1Cc1c([O-])ccc(Cl)c1F ZINC001659209869 1196358861 /nfs/dbraw/zinc/35/88/61/1196358861.db2.gz HAJCXRVZCQSUBR-LLVKDONJSA-N -1 3 300.805 3.101 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001659847634 1196421207 /nfs/dbraw/zinc/42/12/07/1196421207.db2.gz KVLUWCAQOIIXBU-OAHLLOKOSA-N -1 3 323.314 3.463 20 10 DGCDHM O=C1CC[C@@H](c2ccccc2NCc2cc(F)c(F)cc2[O-])N1 ZINC001660615105 1196503979 /nfs/dbraw/zinc/50/39/79/1196503979.db2.gz ISLOMEMERSMSOI-HNNXBMFYSA-N -1 3 318.323 3.234 20 10 DGCDHM CCc1nc([C@@H](C)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC001662111895 1196682069 /nfs/dbraw/zinc/68/20/69/1196682069.db2.gz DBYUFQUEMRRUHG-SSDOTTSWSA-N -1 3 315.204 3.230 20 10 DGCDHM Cn1cnc(-c2cccc(NCc3cc(F)c(F)cc3[O-])c2)n1 ZINC001664218750 1196980998 /nfs/dbraw/zinc/98/09/98/1196980998.db2.gz SBLVNVGEXWFGLP-UHFFFAOYSA-N -1 3 316.311 3.078 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCc2cc(O)ccc2C1 ZINC001665938206 1197219074 /nfs/dbraw/zinc/21/90/74/1197219074.db2.gz XGFUWNSCAOSKSP-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1(C)C ZINC001591695728 975524857 /nfs/dbraw/zinc/52/48/57/975524857.db2.gz JNQOHXGHWZNAHJ-KNXALSJPSA-N -1 3 321.417 3.333 20 10 DGCDHM C[C@H](COc1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592782806 979420195 /nfs/dbraw/zinc/42/01/95/979420195.db2.gz MBPSHKDUXAPRPV-OLZOCXBDSA-N -1 3 315.369 3.209 20 10 DGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])C1(OC)CCC1 ZINC001595747670 982414529 /nfs/dbraw/zinc/41/45/29/982414529.db2.gz IKHOXPXDCFFCLI-MRXNPFEDSA-N -1 3 321.417 3.017 20 10 DGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])C1(OC)CCC1 ZINC001595747670 982414536 /nfs/dbraw/zinc/41/45/36/982414536.db2.gz IKHOXPXDCFFCLI-MRXNPFEDSA-N -1 3 321.417 3.017 20 10 DGCDHM CCC[N@H+](Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1ccccc1[O-] ZINC001595885692 982907513 /nfs/dbraw/zinc/90/75/13/982907513.db2.gz BFFCHIXPZWKRPJ-UHFFFAOYSA-N -1 3 302.374 3.139 20 10 DGCDHM CCC[N@@H+](Cc1cc(C)c(C(=O)[O-])[nH]1)Cc1ccccc1[O-] ZINC001595885692 982907517 /nfs/dbraw/zinc/90/75/17/982907517.db2.gz BFFCHIXPZWKRPJ-UHFFFAOYSA-N -1 3 302.374 3.139 20 10 DGCDHM C[C@@H]([NH2+]Cc1[nH]cc(C(=O)[O-])c1C1CC1)c1ccccc1[O-] ZINC001599841644 988847840 /nfs/dbraw/zinc/84/78/40/988847840.db2.gz ZGSLNDIBJXDBCN-SNVBAGLBSA-N -1 3 300.358 3.147 20 10 DGCDHM C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208267 994222380 /nfs/dbraw/zinc/22/23/80/994222380.db2.gz AJEINNILGBRSTQ-GTNSWQLSSA-N -1 3 312.369 3.287 20 10 DGCDHM C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234251 994398042 /nfs/dbraw/zinc/39/80/42/994398042.db2.gz WSECLDSJYSEOBM-OCCSQVGLSA-N -1 3 319.401 3.233 20 10 DGCDHM C[C@H]([NH2+]CC(C)(C)CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241174 994435954 /nfs/dbraw/zinc/43/59/54/994435954.db2.gz WMPJWHNSPUYXLP-VIFPVBQESA-N -1 3 301.333 3.422 20 10 DGCDHM C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252041 994501991 /nfs/dbraw/zinc/50/19/91/994501991.db2.gz MNLSEOIZVSQRDQ-AAEUAGOBSA-N -1 3 321.442 3.274 20 10 DGCDHM C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264425 994565579 /nfs/dbraw/zinc/56/55/79/994565579.db2.gz KIHFAABAYPMXHY-GXTWGEPZSA-N -1 3 307.390 3.090 20 10 DGCDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@@]1(C)O ZINC001237078398 1099958355 /nfs/dbraw/zinc/95/83/55/1099958355.db2.gz RRQOBTWZLSVETL-YMTOWFKASA-N -1 3 304.217 3.292 20 10 DGCDHM C[C@H]1CN(Cc2cc(F)c(F)cc2[O-])Cc2ccccc2O1 ZINC001182129660 1083626962 /nfs/dbraw/zinc/62/69/62/1083626962.db2.gz ZBLWVLSOVNIMBD-NSHDSACASA-N -1 3 305.324 3.454 20 10 DGCDHM O=C1CSc2cc(NCc3cc(F)c(F)cc3[O-])ccc2N1 ZINC001183442710 1083950245 /nfs/dbraw/zinc/95/02/45/1083950245.db2.gz FPWUPJJFSCGPRC-UHFFFAOYSA-N -1 3 322.336 3.327 20 10 DGCDHM Cc1cc(CN2Cc3ccncc3C2)c([O-])cc1Br ZINC001250128975 1084022576 /nfs/dbraw/zinc/02/25/76/1084022576.db2.gz SHOWSLOXVYKDBN-UHFFFAOYSA-N -1 3 319.202 3.374 20 10 DGCDHM CCOC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580327 1084085972 /nfs/dbraw/zinc/08/59/72/1084085972.db2.gz MWWGNHGWGNGIPW-VIFPVBQESA-N -1 3 318.200 3.084 20 10 DGCDHM C[C@@]1(F)CCN(Cc2cc(Br)ccc2[O-])C[C@@H]1F ZINC001203636607 1084633761 /nfs/dbraw/zinc/63/37/61/1084633761.db2.gz YFYPSVCFFSSSLG-QWHCGFSZSA-N -1 3 320.177 3.427 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1[C@H](CO)CCC[C@H]1C(F)(F)F ZINC001203651661 1084737011 /nfs/dbraw/zinc/73/70/11/1084737011.db2.gz SBDBOSBDVKUGOU-AAEUAGOBSA-N -1 3 323.742 3.323 20 10 DGCDHM CN(CCC(=O)c1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001142527225 1087278125 /nfs/dbraw/zinc/27/81/25/1087278125.db2.gz OUSZCOCXIJNRRL-UHFFFAOYSA-N -1 3 311.353 3.437 20 10 DGCDHM Cc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168522762 1088533717 /nfs/dbraw/zinc/53/37/17/1088533717.db2.gz VCXYZPJJYUKKGZ-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM Cc1cc2ccccc2n1CC(=O)NCc1c([O-])cccc1F ZINC001156164111 1089413705 /nfs/dbraw/zinc/41/37/05/1089413705.db2.gz NCQTZZLPVVPYAE-UHFFFAOYSA-N -1 3 312.344 3.111 20 10 DGCDHM CC(C)(Oc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001156170044 1089415997 /nfs/dbraw/zinc/41/59/97/1089415997.db2.gz DGRYBQBFQCYQLY-UHFFFAOYSA-N -1 3 303.333 3.005 20 10 DGCDHM O=C(CCCC(=O)c1ccccc1)NCc1c([O-])cccc1F ZINC001156178323 1089421243 /nfs/dbraw/zinc/42/12/43/1089421243.db2.gz ZQUMRECRGDDDIF-UHFFFAOYSA-N -1 3 315.344 3.201 20 10 DGCDHM COc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168527889 1090349262 /nfs/dbraw/zinc/34/92/62/1090349262.db2.gz OFVJUXQCCWDINW-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1cc2cnccc2o1 ZINC001203457568 1090533075 /nfs/dbraw/zinc/53/30/75/1090533075.db2.gz LIRCRCKDDMGVHI-JTQLQIEISA-N -1 3 313.313 3.292 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@](O)(CF)C1 ZINC001203574475 1090759692 /nfs/dbraw/zinc/75/96/92/1090759692.db2.gz XYBSOLKDTWAUTH-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM COc1nsc(CNCc2cccc(Cl)c2[O-])c1Cl ZINC001204002664 1090866013 /nfs/dbraw/zinc/86/60/13/1090866013.db2.gz RYDXUROWBRUJAP-UHFFFAOYSA-N -1 3 319.213 3.454 20 10 DGCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2F)C1 ZINC001137831552 1091092151 /nfs/dbraw/zinc/09/21/51/1091092151.db2.gz DPLNRPLVBVLIED-LBPRGKRZSA-N -1 3 324.396 3.020 20 10 DGCDHM CCN(Cc1cccnc1)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139128827 1091459402 /nfs/dbraw/zinc/45/94/02/1091459402.db2.gz FUIGPVIMOZAOGB-UHFFFAOYSA-N -1 3 324.380 3.224 20 10 DGCDHM Cc1cccc(O[C@@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139689604 1091643509 /nfs/dbraw/zinc/64/35/09/1091643509.db2.gz IFOPSXSERRORBU-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1cccnc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC001140337919 1091833526 /nfs/dbraw/zinc/83/35/26/1091833526.db2.gz MPRYRXNBRVNISH-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001140583119 1091919738 /nfs/dbraw/zinc/91/97/38/1091919738.db2.gz WNZGEJJOXYCKDK-UHFFFAOYSA-N -1 3 319.298 3.061 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001142524950 1092494808 /nfs/dbraw/zinc/49/48/08/1092494808.db2.gz QVNLAXFJIGMVOT-CQSZACIVSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001215145870 1093927089 /nfs/dbraw/zinc/92/70/89/1093927089.db2.gz NZVAMCKPRHEHNA-UHFFFAOYSA-N -1 3 320.308 3.001 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc3ccoc32)no1 ZINC001215325365 1093960437 /nfs/dbraw/zinc/96/04/37/1093960437.db2.gz OPHUDIZGTQKRNN-UHFFFAOYSA-N -1 3 310.265 3.267 20 10 DGCDHM CCc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)ccc1F ZINC001215325363 1093960716 /nfs/dbraw/zinc/96/07/16/1093960716.db2.gz ONXUKFHCTYBEQU-UHFFFAOYSA-N -1 3 316.288 3.222 20 10 DGCDHM Cc1cc(F)cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1F ZINC001215325262 1093960940 /nfs/dbraw/zinc/96/09/40/1093960940.db2.gz JBONNIXHMPKOFL-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM Cc1cc(F)cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1F ZINC001215327661 1093961757 /nfs/dbraw/zinc/96/17/57/1093961757.db2.gz MYZFFWWWIAOVLE-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM Cc1cc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)ccn1 ZINC001216951927 1094283358 /nfs/dbraw/zinc/28/33/58/1094283358.db2.gz PXIJHOQOTFYNFI-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM [O-]c1cc(Br)ccc1CN[C@@H]1CCCC1(F)F ZINC000691425761 1094941628 /nfs/dbraw/zinc/94/16/28/1094941628.db2.gz DZNFAUOLVJHJCT-LLVKDONJSA-N -1 3 306.150 3.432 20 10 DGCDHM CC[C@H]1CCc2nc(NC(=O)c3cccc(O)c3[O-])sc2C1 ZINC001136323611 1094988476 /nfs/dbraw/zinc/98/84/76/1094988476.db2.gz HYTWAAPVLWRESS-VIFPVBQESA-N -1 3 318.398 3.322 20 10 DGCDHM CCCCCCN1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684246 1095350750 /nfs/dbraw/zinc/35/07/50/1095350750.db2.gz SCNBEPAMOKDPAX-UHFFFAOYSA-N -1 3 312.404 3.368 20 10 DGCDHM C/C=C/C=C/C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001144000983 1095471652 /nfs/dbraw/zinc/47/16/52/1095471652.db2.gz ICGFWAXKFHZGIX-AOGGBPEJSA-N -1 3 302.761 3.342 20 10 DGCDHM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1Cc1c([O-])cccc1F ZINC001137841853 1095763500 /nfs/dbraw/zinc/76/35/00/1095763500.db2.gz XPBFOHCHQNFDTH-NEPJUHHUSA-N -1 3 324.396 3.019 20 10 DGCDHM O=C(Nc1ccccc1)[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC001138130630 1095901101 /nfs/dbraw/zinc/90/11/01/1095901101.db2.gz DPFJUCBQFDFXEF-INIZCTEOSA-N -1 3 314.360 3.134 20 10 DGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccco1 ZINC001147097456 1096169404 /nfs/dbraw/zinc/16/94/04/1096169404.db2.gz YENQNBAJUDXSCA-UHFFFAOYSA-N -1 3 302.717 3.117 20 10 DGCDHM Cc1cc(OC(F)F)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001148218660 1096328145 /nfs/dbraw/zinc/32/81/45/1096328145.db2.gz FOTYLWBJFCFGFZ-UHFFFAOYSA-N -1 3 309.268 3.260 20 10 DGCDHM O=C(Nc1cc2ccccc2s1)c1cc(O)c([O-])c(O)c1 ZINC001148581106 1096407248 /nfs/dbraw/zinc/40/72/48/1096407248.db2.gz LEBCWZOUUSXBLJ-UHFFFAOYSA-N -1 3 301.323 3.270 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCc2ccccc21 ZINC001227679012 1096968238 /nfs/dbraw/zinc/96/82/38/1096968238.db2.gz LOSQMUWYRDYOFH-CYBMUJFWSA-N -1 3 314.360 3.061 20 10 DGCDHM C[C@@H]1CC(CNC(=O)NCc2c([O-])cccc2F)C[C@@H](C)C1 ZINC001230793592 1097588600 /nfs/dbraw/zinc/58/86/00/1097588600.db2.gz PNNIFFHBWZBGJZ-RYUDHWBXSA-N -1 3 308.397 3.403 20 10 DGCDHM C[N@H+](CCc1ccccc1Cl)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452691 1097751870 /nfs/dbraw/zinc/75/18/70/1097751870.db2.gz RVHUMSBQTARVDZ-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@@H+](CCc1ccccc1Cl)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452691 1097751874 /nfs/dbraw/zinc/75/18/74/1097751874.db2.gz RVHUMSBQTARVDZ-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM Cc1cc([O-])c(CN2CC(Oc3cccnc3)C2)cc1Cl ZINC001231871102 1097871125 /nfs/dbraw/zinc/87/11/25/1097871125.db2.gz XZSQUKHQRZEBLO-UHFFFAOYSA-N -1 3 304.777 3.012 20 10 DGCDHM CCCNC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001231871155 1097871935 /nfs/dbraw/zinc/87/19/35/1097871935.db2.gz ZXDBZCUYVGWCET-OAHLLOKOSA-N -1 3 324.852 3.235 20 10 DGCDHM O=C1CCN(Cc2cc(Cl)c([O-])cc2O)[C@@H]2CCCC[C@@H]12 ZINC001232258638 1097982932 /nfs/dbraw/zinc/98/29/32/1097982932.db2.gz BPGGKLRPQITAJF-DGCLKSJQSA-N -1 3 309.793 3.085 20 10 DGCDHM COc1cc([O-])c(CN2CCc3cnccc3C2)cc1Cl ZINC001232266068 1097986457 /nfs/dbraw/zinc/98/64/57/1097986457.db2.gz IGZXVLAIEZBYLS-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](Oc2ccccc2)C1 ZINC001233334467 1098292761 /nfs/dbraw/zinc/29/27/61/1098292761.db2.gz IECBVHPMSYCXMF-ZDUSSCGKSA-N -1 3 305.324 3.324 20 10 DGCDHM [O-]c1c(CN2CC(O)(C(F)(F)F)C2)cccc1-c1ccccc1 ZINC001234990267 1098736605 /nfs/dbraw/zinc/73/66/05/1098736605.db2.gz FUYXFYCZXZHOQV-UHFFFAOYSA-N -1 3 323.314 3.168 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(-c2ccccc2)[nH]1 ZINC001178413309 1098829068 /nfs/dbraw/zinc/82/90/68/1098829068.db2.gz QFUQJNBPNBSANR-UHFFFAOYSA-N -1 3 310.328 3.456 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC001180178128 1099324298 /nfs/dbraw/zinc/32/42/98/1099324298.db2.gz QABQMVPYDKFLSR-AWEZNQCLSA-N -1 3 323.339 3.445 20 10 DGCDHM Cc1[nH]ccc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001188161405 1099714554 /nfs/dbraw/zinc/71/45/54/1099714554.db2.gz AJYRDPATSIEBRL-UHFFFAOYSA-N -1 3 315.760 3.160 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797723 1099791424 /nfs/dbraw/zinc/79/14/24/1099791424.db2.gz INNNKGCCZWUWFW-SWLSCSKDSA-N -1 3 323.820 3.388 20 10 DGCDHM CCN(Cc1ccncc1)Cc1c([O-])cc(OC)cc1Cl ZINC001236803067 1099797314 /nfs/dbraw/zinc/79/73/14/1099797314.db2.gz MJIVTUQVOHFAPT-UHFFFAOYSA-N -1 3 306.793 3.471 20 10 DGCDHM COC(=O)[C@]1(C)CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237086982 1099964115 /nfs/dbraw/zinc/96/41/15/1099964115.db2.gz QJMBGGHZPMGMGY-CQSZACIVSA-N -1 3 318.200 3.084 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC001237621087 1100190374 /nfs/dbraw/zinc/19/03/74/1100190374.db2.gz TZVOBSQKBJVROY-AWEZNQCLSA-N -1 3 322.767 3.233 20 10 DGCDHM CC(=O)[C@@H]1CCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237684343 1100215248 /nfs/dbraw/zinc/21/52/48/1100215248.db2.gz IRTXAUVVZDNULK-ZDUSSCGKSA-N -1 3 312.207 3.017 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC(c2ncccn2)CC1 ZINC001237798283 1100250117 /nfs/dbraw/zinc/25/01/17/1100250117.db2.gz CYEXGQCIFUGARQ-UHFFFAOYSA-N -1 3 321.783 3.354 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC001237812778 1100254892 /nfs/dbraw/zinc/25/48/92/1100254892.db2.gz HNRMFDWDFFWBAA-AWEZNQCLSA-N -1 3 322.767 3.233 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001237937695 1100297866 /nfs/dbraw/zinc/29/78/66/1100297866.db2.gz UAPZBFANUCMMGI-CYBMUJFWSA-N -1 3 322.767 3.233 20 10 DGCDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001194638216 1100977753 /nfs/dbraw/zinc/97/77/53/1100977753.db2.gz IUYUNROOTKKWRD-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM Cc1ccc(C)n1-c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001241443665 1101462130 /nfs/dbraw/zinc/46/21/30/1101462130.db2.gz JZYSQKOBIWRTOE-UHFFFAOYSA-N -1 3 316.368 3.336 20 10 DGCDHM Cc1ccc(C)n1-c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001241443665 1101462142 /nfs/dbraw/zinc/46/21/42/1101462142.db2.gz JZYSQKOBIWRTOE-UHFFFAOYSA-N -1 3 316.368 3.336 20 10 DGCDHM C=CS(=O)(=O)[N-]c1ccccc1C(=O)c1cc(C)cc(C)c1 ZINC001198621755 1101945224 /nfs/dbraw/zinc/94/52/24/1101945224.db2.gz UHFVPOGBKLYBQT-UHFFFAOYSA-N -1 3 315.394 3.420 20 10 DGCDHM CCOc1ncccc1CNCc1cc(Cl)cc(F)c1[O-] ZINC001199178894 1102079813 /nfs/dbraw/zinc/07/98/13/1102079813.db2.gz KJCRHOPZOOSHRQ-UHFFFAOYSA-N -1 3 310.756 3.268 20 10 DGCDHM C[C@@H]1C(=O)N(C)CCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248883668 1105186615 /nfs/dbraw/zinc/18/66/15/1105186615.db2.gz MWTXYAKQWHNSDV-LLVKDONJSA-N -1 3 324.852 3.006 20 10 DGCDHM CCCS(=O)(=O)[N-]c1ccc(C)cc1C(=O)c1ccccc1 ZINC001253711671 1105973128 /nfs/dbraw/zinc/97/31/28/1105973128.db2.gz ZAHQTLKSNXDRRC-UHFFFAOYSA-N -1 3 317.410 3.378 20 10 DGCDHM CC(=O)c1cc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)[n-]n1 ZINC001256940641 1106514592 /nfs/dbraw/zinc/51/45/92/1106514592.db2.gz JHLPBFDWRHRKIA-UHFFFAOYSA-N -1 3 319.324 3.120 20 10 DGCDHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3cc(O)c([O-])c(O)c3)o2)cc1 ZINC001257209505 1106551518 /nfs/dbraw/zinc/55/15/18/1106551518.db2.gz LBHOSPOSLKLPQM-STQMWFEESA-N -1 3 324.336 3.433 20 10 DGCDHM Cc1ccc([C@@H]2C[C@@H]2c2nnc(-c3ccc(O)c(O)c3[O-])o2)cc1 ZINC001257209713 1106551561 /nfs/dbraw/zinc/55/15/61/1106551561.db2.gz NZWAIUSAKOQFNT-STQMWFEESA-N -1 3 324.336 3.433 20 10 DGCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1O ZINC001259167167 1107088532 /nfs/dbraw/zinc/08/85/32/1107088532.db2.gz BIGHBRKPNZVILB-UHFFFAOYSA-N -1 3 319.382 3.012 20 10 DGCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])[C@H](C)CO1 ZINC000701194742 1108902816 /nfs/dbraw/zinc/90/28/16/1108902816.db2.gz WJGYQVMVLJUBST-MFKMUULPSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001312877701 1111678968 /nfs/dbraw/zinc/67/89/68/1111678968.db2.gz RHFSUFGUOIXTTA-HNNXBMFYSA-N -1 3 302.349 3.482 20 10 DGCDHM Cc1ccc(C(=O)N2CCCC[C@H]2c2cccn2C)c([O-])c1O ZINC000179532777 432061785 /nfs/dbraw/zinc/06/17/85/432061785.db2.gz RGLLALWKPKKMIF-HNNXBMFYSA-N -1 3 314.385 3.112 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCc2ccccc2[C@@H]1CO ZINC000180282078 432082497 /nfs/dbraw/zinc/08/24/97/432082497.db2.gz IDBPAJHFPWKNTH-INIZCTEOSA-N -1 3 303.789 3.137 20 10 DGCDHM COc1ccccc1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193015065 533024190 /nfs/dbraw/zinc/02/41/90/533024190.db2.gz YUXFEZLWPPAHTE-CQSZACIVSA-N -1 3 313.353 3.084 20 10 DGCDHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c([O-])c1O ZINC000272738121 130059036 /nfs/dbraw/zinc/05/90/36/130059036.db2.gz LNTIELOVHPMAKW-ZDUSSCGKSA-N -1 3 319.401 3.018 20 10 DGCDHM C[C@@H](NCc1ccc([C@H](C)O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273379225 130113836 /nfs/dbraw/zinc/11/38/36/130113836.db2.gz HUJWQENDLBJLKT-NEPJUHHUSA-N -1 3 316.357 3.205 20 10 DGCDHM C[C@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000273424977 130120591 /nfs/dbraw/zinc/12/05/91/130120591.db2.gz TVDWYWMRXKNXBM-LBPRGKRZSA-N -1 3 316.376 3.084 20 10 DGCDHM Cc1ccc([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c([O-])c1 ZINC000273537016 130134291 /nfs/dbraw/zinc/13/42/91/130134291.db2.gz XPYYPFUAFJEDBV-NHYWBVRUSA-N -1 3 307.340 3.363 20 10 DGCDHM C[C@@H](c1ccccc1)N(Cc1cnnn1C)Cc1ccccc1[O-] ZINC000289372472 131379682 /nfs/dbraw/zinc/37/96/82/131379682.db2.gz OMJYGDRGFOYMBI-HNNXBMFYSA-N -1 3 322.412 3.284 20 10 DGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](c2ccco2)C1 ZINC000187157548 296541775 /nfs/dbraw/zinc/54/17/75/296541775.db2.gz JWBDRVNOCFDWHH-YPMHNXCESA-N -1 3 301.342 3.304 20 10 DGCDHM C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193079842 533690269 /nfs/dbraw/zinc/69/02/69/533690269.db2.gz IFJKWTHOCYDOEK-DGCLKSJQSA-N -1 3 315.344 3.255 20 10 DGCDHM C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1ccccc1[O-] ZINC000290458350 278113125 /nfs/dbraw/zinc/11/31/25/278113125.db2.gz MXESQPKIABMPCL-CYBMUJFWSA-N -1 3 312.417 3.218 20 10 DGCDHM Cc1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)oc1C ZINC000109761768 431178838 /nfs/dbraw/zinc/17/88/38/431178838.db2.gz BGZSZSIJJJSJEF-INIZCTEOSA-N -1 3 316.401 3.178 20 10 DGCDHM Cn1cnnc1-c1cccc(NCc2cc(Cl)ccc2[O-])c1 ZINC000122644464 431840194 /nfs/dbraw/zinc/84/01/94/431840194.db2.gz LNGPWWWEHSVZFR-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM COC(=O)c1cc(CN(C)Cc2ccccc2[O-])c(C)s1 ZINC000089126320 431860614 /nfs/dbraw/zinc/86/06/14/431860614.db2.gz WTSOHBIMMSXGAY-UHFFFAOYSA-N -1 3 305.399 3.181 20 10 DGCDHM CCNC(=O)CN(CC)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271047345 432321511 /nfs/dbraw/zinc/32/15/11/432321511.db2.gz SDDIVCFDHORWST-UHFFFAOYSA-N -1 3 312.413 3.017 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c([O-])c1O ZINC000271304234 432371012 /nfs/dbraw/zinc/37/10/12/432371012.db2.gz TZKJRIBAUHOJLO-UHFFFAOYSA-N -1 3 312.369 3.259 20 10 DGCDHM C[C@@H](NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1[O-] ZINC000184877603 432441454 /nfs/dbraw/zinc/44/14/54/432441454.db2.gz XZVZJPXSDJLOFQ-LLVKDONJSA-N -1 3 320.824 3.214 20 10 DGCDHM [O-]c1ccccc1CN(Cc1cscn1)C[C@@H]1CCCO1 ZINC000176799392 432554252 /nfs/dbraw/zinc/55/42/52/432554252.db2.gz NUJUXTXEAMFPTN-HNNXBMFYSA-N -1 3 304.415 3.030 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(CCc1cccc(F)c1)C1CC1 ZINC000185656398 432519521 /nfs/dbraw/zinc/51/95/21/432519521.db2.gz VEPDPNMVXSFKHV-UHFFFAOYSA-N -1 3 315.344 3.084 20 10 DGCDHM CC[C@H](c1ccncc1)N(CC)C(=O)c1cccc(O)c1[O-] ZINC000185712949 432527025 /nfs/dbraw/zinc/52/70/25/432527025.db2.gz VWJHVXLBIRIOMM-CQSZACIVSA-N -1 3 300.358 3.106 20 10 DGCDHM COCC1=CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000185846520 432538350 /nfs/dbraw/zinc/53/83/50/432538350.db2.gz RWPOTJNKORWORS-UHFFFAOYSA-N -1 3 309.793 3.027 20 10 DGCDHM C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](c2ccco2)C1 ZINC000187157564 432650124 /nfs/dbraw/zinc/65/01/24/432650124.db2.gz JWBDRVNOCFDWHH-AAEUAGOBSA-N -1 3 301.342 3.304 20 10 DGCDHM C[C@H](CNC(=O)OC(C)(C)C)NCc1c([O-])cccc1Cl ZINC000227690921 432714195 /nfs/dbraw/zinc/71/41/95/432714195.db2.gz JFQNOGBZCHNVRQ-SNVBAGLBSA-N -1 3 314.813 3.048 20 10 DGCDHM CCC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277252922 432831394 /nfs/dbraw/zinc/83/13/94/432831394.db2.gz ICZDEWLLSYWXLP-UHFFFAOYSA-N -1 3 324.808 3.246 20 10 DGCDHM C[C@@H](NC[C@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332568 432891662 /nfs/dbraw/zinc/89/16/62/432891662.db2.gz WNZYDVOJKAGDLS-FWOIEVBISA-N -1 3 318.122 3.273 20 10 DGCDHM CC[C@@H](C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277470771 432853951 /nfs/dbraw/zinc/85/39/51/432853951.db2.gz UVGTVHDGBXMNED-GHMZBOCLSA-N -1 3 324.808 3.244 20 10 DGCDHM [O-]c1c(Cl)cccc1CNCc1ccnc(N2CCCC2)c1 ZINC000289983641 432981321 /nfs/dbraw/zinc/98/13/21/432981321.db2.gz BUZCWFLOYSLESD-UHFFFAOYSA-N -1 3 317.820 3.331 20 10 DGCDHM Cn1ccnc1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000373228798 433138039 /nfs/dbraw/zinc/13/80/39/433138039.db2.gz NDMJGQZWMGCKMN-NSHDSACASA-N -1 3 323.799 3.298 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cc(C)on2)c1[O-] ZINC000362847823 433883378 /nfs/dbraw/zinc/88/33/78/433883378.db2.gz QPIIZVNIXPASTB-INIZCTEOSA-N -1 3 318.348 3.367 20 10 DGCDHM Cc1cnn([C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)c1 ZINC000293835668 433886821 /nfs/dbraw/zinc/88/68/21/433886821.db2.gz GVJABBJADRWDSI-LBPRGKRZSA-N -1 3 309.772 3.137 20 10 DGCDHM Cn1cc(NC(=O)c2cccc(O)c2[O-])c(C2CCCCC2)n1 ZINC000295874253 434440586 /nfs/dbraw/zinc/44/05/86/434440586.db2.gz VBNWNGIKSKKELG-UHFFFAOYSA-N -1 3 315.373 3.131 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@]12CCOC2 ZINC000367047490 434535934 /nfs/dbraw/zinc/53/59/34/434535934.db2.gz JWDIECWFONOARZ-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM CCn1nncc1CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000527918861 435016983 /nfs/dbraw/zinc/01/69/83/435016983.db2.gz FERLAAWUBVTELD-QMMMGPOBSA-N -1 3 315.204 3.161 20 10 DGCDHM CC[C@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997624 435019050 /nfs/dbraw/zinc/01/90/50/435019050.db2.gz JBWYABWKRBQIJK-HOCLYGCPSA-N -1 3 314.360 3.135 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@@H]1c1ccncc1 ZINC000188192668 304548927 /nfs/dbraw/zinc/54/89/27/304548927.db2.gz IKLUVTZKNNDFIS-OAHLLOKOSA-N -1 3 312.369 3.250 20 10 DGCDHM C[C@@H]1[C@@H](C(=O)NCc2cc(Br)ccc2[O-])[C@@H]1C1CC1 ZINC000529391531 340753827 /nfs/dbraw/zinc/75/38/27/340753827.db2.gz ZYSWRIWNUASDHS-ULCPSODYSA-N -1 3 324.218 3.063 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2cccnc2)c1[O-] ZINC000181641942 518277673 /nfs/dbraw/zinc/27/76/73/518277673.db2.gz HSPXRRRCGINQOM-SNVBAGLBSA-N -1 3 304.777 3.494 20 10 DGCDHM CC[C@H](NCc1cccc(C(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000286272595 535917932 /nfs/dbraw/zinc/91/79/32/535917932.db2.gz VKDNANPSKDEJNG-INIZCTEOSA-N -1 3 316.376 3.132 20 10 DGCDHM C[C@H]1CCc2ccccc2N1C(=O)CN(C)Cc1ccccc1[O-] ZINC000731843867 574560334 /nfs/dbraw/zinc/56/03/34/574560334.db2.gz ZTEULFMVCHYVQR-HNNXBMFYSA-N -1 3 324.424 3.192 20 10 DGCDHM CCOC(=O)N(C)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000731870765 574560752 /nfs/dbraw/zinc/56/07/52/574560752.db2.gz WNIITTYBXLJPFU-UHFFFAOYSA-N -1 3 320.370 3.299 20 10 DGCDHM CC(C)C(=O)Nc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000731868838 574561411 /nfs/dbraw/zinc/56/14/11/574561411.db2.gz ZIPXQOCBEAKHHM-UHFFFAOYSA-N -1 3 304.371 3.301 20 10 DGCDHM O=C(OCc1ncc(-c2ccccc2)o1)c1cc([O-])cs1 ZINC000731911504 574561772 /nfs/dbraw/zinc/56/17/72/574561772.db2.gz KGRJTURAKNYCGD-UHFFFAOYSA-N -1 3 301.323 3.466 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CC=C(c2ccc(O)cc2)CC1 ZINC000732259074 574569207 /nfs/dbraw/zinc/56/92/07/574569207.db2.gz LIWYZIWFVZDGGY-UHFFFAOYSA-N -1 3 301.367 3.089 20 10 DGCDHM CCOCCOCc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000732273382 574569946 /nfs/dbraw/zinc/56/99/46/574569946.db2.gz TWRKDAZYJYZYQW-UHFFFAOYSA-N -1 3 321.398 3.259 20 10 DGCDHM CCc1cccc2c1OCC[C@@H]2NC(=O)c1cc([O-])cs1 ZINC000732282833 574570478 /nfs/dbraw/zinc/57/04/78/574570478.db2.gz VQIMKZCRAJZDNG-ZDUSSCGKSA-N -1 3 303.383 3.270 20 10 DGCDHM O=C(Nc1ccnn1CCc1ccccc1)c1cc([O-])cs1 ZINC000732281407 574570530 /nfs/dbraw/zinc/57/05/30/574570530.db2.gz FYXINDWXIMKZPA-UHFFFAOYSA-N -1 3 313.382 3.145 20 10 DGCDHM COCCN(CCCc1ccccc1)C(=O)c1cc([O-])cs1 ZINC000732278722 574570591 /nfs/dbraw/zinc/57/05/91/574570591.db2.gz UCOKFEDWMDDVII-UHFFFAOYSA-N -1 3 319.426 3.175 20 10 DGCDHM O=C(OCc1csc(-c2ccccn2)n1)c1cc([O-])cs1 ZINC000732353042 574572067 /nfs/dbraw/zinc/57/20/67/574572067.db2.gz KQRHICOXBIPOKA-UHFFFAOYSA-N -1 3 318.379 3.329 20 10 DGCDHM Cc1ccc2nc(CNCc3c([O-])cccc3Cl)cn2c1 ZINC000733326954 574616374 /nfs/dbraw/zinc/61/63/74/574616374.db2.gz IWEZDKSJEAXRNJ-UHFFFAOYSA-N -1 3 301.777 3.292 20 10 DGCDHM O=C(OCC(=O)c1ccc(F)c(Cl)c1)c1cc([O-])cs1 ZINC000736822887 574807794 /nfs/dbraw/zinc/80/77/94/574807794.db2.gz AOTRAJUPQVVWRC-UHFFFAOYSA-N -1 3 314.721 3.286 20 10 DGCDHM COc1ccc([C@@H](C)CCNC(=O)c2cc([O-])cs2)cc1 ZINC000743628496 575059180 /nfs/dbraw/zinc/05/91/80/575059180.db2.gz ROEFNBYEDPSJDC-NSHDSACASA-N -1 3 305.399 3.386 20 10 DGCDHM Cc1ccccc1[C@H]1CN(C(=O)c2cc([O-])cs2)[C@@H](C)CO1 ZINC000743710842 575061896 /nfs/dbraw/zinc/06/18/96/575061896.db2.gz WKRCMZVWOROPEC-SWLSCSKDSA-N -1 3 317.410 3.364 20 10 DGCDHM Cc1ccc2nc(CNCc3cc(Cl)ccc3[O-])cn2c1 ZINC000729681045 575260109 /nfs/dbraw/zinc/26/01/09/575260109.db2.gz PUCFKEPAFLFDKI-UHFFFAOYSA-N -1 3 301.777 3.292 20 10 DGCDHM Cc1ccccc1-c1cc(NC(=O)c2cc([O-])cs2)n(C)n1 ZINC000746409462 575451522 /nfs/dbraw/zinc/45/15/22/575451522.db2.gz FBSQTCYQVDXTGQ-UHFFFAOYSA-N -1 3 313.382 3.415 20 10 DGCDHM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1cc([O-])cs1 ZINC000746893573 575482734 /nfs/dbraw/zinc/48/27/34/575482734.db2.gz CMEHRMHHLJHYCC-LADRHHBVSA-N -1 3 323.439 3.024 20 10 DGCDHM COc1ccccc1C[C@@H](NC(=O)c1cc([O-])cs1)C(C)C ZINC000747943352 575552409 /nfs/dbraw/zinc/55/24/09/575552409.db2.gz GJWTYOKPUQWXIN-CQSZACIVSA-N -1 3 319.426 3.459 20 10 DGCDHM CCc1cccc(C(=O)NCCCSc2nccs2)c1[O-] ZINC000748038919 575557688 /nfs/dbraw/zinc/55/76/88/575557688.db2.gz BKXDUGKFUSLXTC-UHFFFAOYSA-N -1 3 322.455 3.323 20 10 DGCDHM COC(=O)/C(C)=C\CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000748818730 575609535 /nfs/dbraw/zinc/60/95/35/575609535.db2.gz XNZGUUOPXBSLIK-ZROIWOOFSA-N -1 3 315.369 3.107 20 10 DGCDHM CCCN(Cc1occc1C(=O)OC)Cc1ccccc1[O-] ZINC000750874711 575757100 /nfs/dbraw/zinc/75/71/00/575757100.db2.gz INIYNHBHFMPCHS-UHFFFAOYSA-N -1 3 303.358 3.184 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(N(C)C)c(Cl)c2)c([O-])c1O ZINC000751536237 575789585 /nfs/dbraw/zinc/78/95/85/575789585.db2.gz XHDIFYWRKUSSAA-UHFFFAOYSA-N -1 3 320.776 3.378 20 10 DGCDHM COc1cccc([O-])c1CNCc1cc(-c2ccccc2)on1 ZINC000726797391 576042333 /nfs/dbraw/zinc/04/23/33/576042333.db2.gz ALPLGMZYBUZNJD-UHFFFAOYSA-N -1 3 310.353 3.346 20 10 DGCDHM O=C([O-])[C@@H]1CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000405369240 600279044 /nfs/dbraw/zinc/27/90/44/600279044.db2.gz NQQLDIAKYIPQHR-INIZCTEOSA-N -1 3 311.381 3.232 20 10 DGCDHM CCOC(=O)CCN(Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000792165333 618421761 /nfs/dbraw/zinc/42/17/61/618421761.db2.gz PBPNKDVZXUDXIB-UHFFFAOYSA-N -1 3 315.772 3.102 20 10 DGCDHM COc1cc(N(C)Cc2ccc([O-])c(F)c2)cc(OC)c1OC ZINC000893461692 618563459 /nfs/dbraw/zinc/56/34/59/618563459.db2.gz PHUIAWUBLWRTDG-UHFFFAOYSA-N -1 3 321.348 3.194 20 10 DGCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000148637115 618752404 /nfs/dbraw/zinc/75/24/04/618752404.db2.gz QANIHSIGGLPGDQ-UHFFFAOYSA-N -1 3 305.399 3.454 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C)CC2)c1 ZINC000896586668 618930915 /nfs/dbraw/zinc/93/09/15/618930915.db2.gz ZWKXTQSSABWBED-NSHDSACASA-N -1 3 314.223 3.074 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1cnc([C@H]2CCCO2)s1 ZINC000896642497 618937879 /nfs/dbraw/zinc/93/78/79/618937879.db2.gz YDQMRXVTVLWASV-CQSZACIVSA-N -1 3 308.378 3.129 20 10 DGCDHM CCOc1ccc([N+](=O)[O-])cc1CNCc1c([O-])cccc1F ZINC000896642461 618938040 /nfs/dbraw/zinc/93/80/40/618938040.db2.gz WZSDWGNFIPJVNO-UHFFFAOYSA-N -1 3 320.320 3.128 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1ccccc1OCC(F)F ZINC000896638286 618939707 /nfs/dbraw/zinc/93/97/07/618939707.db2.gz ABEVJCGXHALUJG-UHFFFAOYSA-N -1 3 311.303 3.465 20 10 DGCDHM CCc1[nH]nc(Cl)c1CNCc1cccc(Cl)c1[O-] ZINC000898216197 619222454 /nfs/dbraw/zinc/22/24/54/619222454.db2.gz WEAFTGDHYXXMJX-UHFFFAOYSA-N -1 3 300.189 3.274 20 10 DGCDHM O=S(=O)(CCc1ccccc1)Nc1ccc([O-])c(Cl)c1 ZINC000149453278 620172268 /nfs/dbraw/zinc/17/22/68/620172268.db2.gz NJAHNLWYXDHCIX-UHFFFAOYSA-N -1 3 311.790 3.030 20 10 DGCDHM CC[C@@H](CC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000921973637 620975885 /nfs/dbraw/zinc/97/58/85/620975885.db2.gz QLSGAPRNOKEJOJ-QMMMGPOBSA-N -1 3 308.275 3.062 20 10 DGCDHM COc1ccc(N(C)Cc2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC000838868924 621293968 /nfs/dbraw/zinc/29/39/68/621293968.db2.gz HFYFDLWTERJYST-UHFFFAOYSA-N -1 3 319.792 3.358 20 10 DGCDHM COCCC1(C)CN(Cc2cccc(Br)c2[O-])C1 ZINC000839143027 621340950 /nfs/dbraw/zinc/34/09/50/621340950.db2.gz NTNCSZXWEXBBLS-UHFFFAOYSA-N -1 3 314.223 3.013 20 10 DGCDHM Cc1cc(C(=O)Nc2nc(C)ccc2[O-])c(C)n1-c1ccccn1 ZINC000753470366 621441879 /nfs/dbraw/zinc/44/18/79/621441879.db2.gz OGSGBVDLCYVYES-UHFFFAOYSA-N -1 3 322.368 3.150 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000862327072 621574101 /nfs/dbraw/zinc/57/41/01/621574101.db2.gz XRJSMQLPLSJEOA-GFCCVEGCSA-N -1 3 322.206 3.215 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)[C@@H](C)[C@@H](C)O1 ZINC000862337551 621575865 /nfs/dbraw/zinc/57/58/65/621575865.db2.gz WYVPKAQWTFZCIK-OUAUKWLOSA-N -1 3 314.223 3.152 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2nc(C)cs2)c1 ZINC000756533757 621645603 /nfs/dbraw/zinc/64/56/03/621645603.db2.gz IBQFUOSITGUTAB-GHMZBOCLSA-N -1 3 320.414 3.356 20 10 DGCDHM C[C@H](NCc1nccn1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000756539536 621646034 /nfs/dbraw/zinc/64/60/34/621646034.db2.gz PVQNJOFJZUOAQW-VIFPVBQESA-N -1 3 317.286 3.141 20 10 DGCDHM Cc1cc(Br)c([O-])c(CNc2cc(C)c(C)nn2)c1 ZINC000762652134 622089343 /nfs/dbraw/zinc/08/93/43/622089343.db2.gz PHCTWJPJRZLQPC-UHFFFAOYSA-N -1 3 322.206 3.482 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCc3cc(F)ccc3C2)c1[O-] ZINC000768810869 622478873 /nfs/dbraw/zinc/47/88/73/622478873.db2.gz DURCBHBUYPRZRC-UHFFFAOYSA-N -1 3 317.335 3.431 20 10 DGCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C(F)(F)F)O1 ZINC000769495446 622534173 /nfs/dbraw/zinc/53/41/73/622534173.db2.gz FTMWOYNESIEADB-QPUJVOFHSA-N -1 3 309.715 3.197 20 10 DGCDHM COc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1F ZINC000775072712 623227671 /nfs/dbraw/zinc/22/76/71/623227671.db2.gz YVGQUKOAIWRWON-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM COCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000775180032 623238616 /nfs/dbraw/zinc/23/86/16/623238616.db2.gz IZHGWXOKMQQXGE-UHFFFAOYSA-N -1 3 318.329 3.068 20 10 DGCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000775720274 623318230 /nfs/dbraw/zinc/31/82/30/623318230.db2.gz KPMKHXMBXUQURR-LSDHHAIUSA-N -1 3 324.852 3.267 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1n1ccnc1 ZINC000775738244 623321607 /nfs/dbraw/zinc/32/16/07/623321607.db2.gz XFUNCAWPVZPHIU-ABAIWWIYSA-N -1 3 323.799 3.464 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1n1ccnc1 ZINC000775738247 623321684 /nfs/dbraw/zinc/32/16/84/623321684.db2.gz XFUNCAWPVZPHIU-XHDPSFHLSA-N -1 3 323.799 3.464 20 10 DGCDHM CCCn1c2ccccc2nc1NC(=O)c1cccc(O)c1[O-] ZINC000776328027 623412069 /nfs/dbraw/zinc/41/20/69/623412069.db2.gz WXKCUMGFKALJML-UHFFFAOYSA-N -1 3 311.341 3.110 20 10 DGCDHM O=C(NCC1(Cc2ccccc2)CCC1)c1cccc(O)c1[O-] ZINC000776354952 623415662 /nfs/dbraw/zinc/41/56/62/623415662.db2.gz JXPUOEJSLIEWCC-UHFFFAOYSA-N -1 3 311.381 3.241 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])ccc1Br ZINC000126171586 623716365 /nfs/dbraw/zinc/71/63/65/623716365.db2.gz OOHFFGFULYBWRV-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2s1 ZINC000790717915 625689958 /nfs/dbraw/zinc/68/99/58/625689958.db2.gz FJVGHTFYKDKNPE-SECBINFHSA-N -1 3 314.366 3.199 20 10 DGCDHM CCOc1cc(NC(=O)c2ccc(C)c(O)c2[O-])ccc1OC ZINC000780895793 623995404 /nfs/dbraw/zinc/99/54/04/623995404.db2.gz GDHOXPXTMVFYLL-UHFFFAOYSA-N -1 3 317.341 3.066 20 10 DGCDHM CCCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000781015969 624009902 /nfs/dbraw/zinc/00/99/02/624009902.db2.gz SSJNBWMTPWRKHM-UHFFFAOYSA-N -1 3 301.342 3.447 20 10 DGCDHM CCCCCn1nc(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000790861241 625709082 /nfs/dbraw/zinc/70/90/82/625709082.db2.gz LJJOSLISYGAJFT-UHFFFAOYSA-N -1 3 303.362 3.045 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(F)c(OC)c2)c1 ZINC000783306325 624336817 /nfs/dbraw/zinc/33/68/17/624336817.db2.gz HBHTXZXTUJGRMA-JTQLQIEISA-N -1 3 319.332 3.500 20 10 DGCDHM O=C(N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000783852940 624400647 /nfs/dbraw/zinc/40/06/47/624400647.db2.gz YGELKWWMBRQPME-HUUCEWRRSA-N -1 3 311.381 3.239 20 10 DGCDHM CCN(Cc1c[nH]c2ccccc12)C(=O)c1cccc(O)c1[O-] ZINC000785434109 624665982 /nfs/dbraw/zinc/66/59/82/624665982.db2.gz JKVLQFPVJSGCGW-UHFFFAOYSA-N -1 3 310.353 3.241 20 10 DGCDHM CCc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c([O-])c1 ZINC000787130931 624982452 /nfs/dbraw/zinc/98/24/52/624982452.db2.gz CSLVMMFQSZHRSE-LLVKDONJSA-N -1 3 315.369 3.160 20 10 DGCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000787420679 625008654 /nfs/dbraw/zinc/00/86/54/625008654.db2.gz KNMLHKLBSPVIPU-GZMMTYOYSA-N -1 3 318.200 3.082 20 10 DGCDHM Cc1ncc2c(n1)CCC[C@@H]2NCc1c([O-])ccc(Cl)c1F ZINC000790966287 625724131 /nfs/dbraw/zinc/72/41/31/625724131.db2.gz HYBBFXVZASLFKH-ZDUSSCGKSA-N -1 3 321.783 3.450 20 10 DGCDHM COc1cnccc1[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000790993323 625733643 /nfs/dbraw/zinc/73/36/43/625733643.db2.gz TXAQEEUCKBSMJU-VIFPVBQESA-N -1 3 310.756 3.439 20 10 DGCDHM C[C@@H](O)[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157496 625947014 /nfs/dbraw/zinc/94/70/14/625947014.db2.gz AEBYVXNUVURICO-RFAUZJTJSA-N -1 3 311.303 3.021 20 10 DGCDHM O=C(N[C@@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000792630964 625967524 /nfs/dbraw/zinc/96/75/24/625967524.db2.gz XQKZLKWZFBGWFL-GXTWGEPZSA-N -1 3 315.344 3.303 20 10 DGCDHM CC[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1[O-] ZINC000796926048 626096770 /nfs/dbraw/zinc/09/67/70/626096770.db2.gz NGGROQITNJEKBL-INIZCTEOSA-N -1 3 314.360 3.380 20 10 DGCDHM CC[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130350 626700507 /nfs/dbraw/zinc/70/05/07/626700507.db2.gz WDEVCWNFCRQYPH-HUUCEWRRSA-N -1 3 318.804 3.313 20 10 DGCDHM CCN(CC(=O)N1CCCCCC1)Cc1cccc(Cl)c1[O-] ZINC000809713806 626940064 /nfs/dbraw/zinc/94/00/64/626940064.db2.gz MBWWIMQXOHWCAQ-UHFFFAOYSA-N -1 3 324.852 3.270 20 10 DGCDHM CCn1nccc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809774275 626951043 /nfs/dbraw/zinc/95/10/43/626951043.db2.gz HZEFAJAFMQDGBA-UHFFFAOYSA-N -1 3 300.189 3.205 20 10 DGCDHM CCNC(=O)c1cccc(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000886514635 627155490 /nfs/dbraw/zinc/15/54/90/627155490.db2.gz VFEMGCNXPNHHGT-GFCCVEGCSA-N -1 3 316.376 3.132 20 10 DGCDHM C[C@H](N[C@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630310 627176456 /nfs/dbraw/zinc/17/64/56/627176456.db2.gz ZNLQOIUMQPZPQV-XHDPSFHLSA-N -1 3 307.340 3.445 20 10 DGCDHM COc1cccc(OC)c1CN[C@@H](C)c1c([O-])cccc1F ZINC000886636151 627177765 /nfs/dbraw/zinc/17/77/65/627177765.db2.gz GSPQTJHVBQPGPP-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1nc2cc(Cl)ccn2n1 ZINC000811840447 627328365 /nfs/dbraw/zinc/32/83/65/627328365.db2.gz ZCEBHSOARZHGJS-UHFFFAOYSA-N -1 3 309.156 3.354 20 10 DGCDHM COc1cnccc1[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816586197 627811398 /nfs/dbraw/zinc/81/13/98/627811398.db2.gz CGFCIAKARDJHDP-SECBINFHSA-N -1 3 310.756 3.439 20 10 DGCDHM CC[C@H]1CN(C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000816660881 627821947 /nfs/dbraw/zinc/82/19/47/627821947.db2.gz SQIAQIMMJWCSNA-LBPRGKRZSA-N -1 3 303.233 3.225 20 10 DGCDHM CC[C@H](NCC(F)(F)CN)c1ccc(C(F)(F)F)cc1[O-] ZINC000817968364 627979180 /nfs/dbraw/zinc/97/91/80/627979180.db2.gz QPBCFFGKFZEDCE-JTQLQIEISA-N -1 3 312.282 3.046 20 10 DGCDHM Cc1ccc2c(c1)CN(C(=O)c1cccc(O)c1[O-])C(C)(C)C2 ZINC000818647747 628046375 /nfs/dbraw/zinc/04/63/75/628046375.db2.gz DJTNTZYHBDUTNF-UHFFFAOYSA-N -1 3 311.381 3.383 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(C(F)(F)F)CCCC1 ZINC000928706652 628179628 /nfs/dbraw/zinc/17/96/28/628179628.db2.gz UDIFWCNFTRFKET-UHFFFAOYSA-N -1 3 305.271 3.270 20 10 DGCDHM Cc1ccc(CO[C@@H](C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928710087 628180223 /nfs/dbraw/zinc/18/02/23/628180223.db2.gz GTUFEBVNHSSWPH-ZDUSSCGKSA-N -1 3 317.360 3.061 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000928710249 628180403 /nfs/dbraw/zinc/18/04/03/628180403.db2.gz RGKMHVPTSSFTFE-KGLIPLIRSA-N -1 3 317.335 3.480 20 10 DGCDHM COc1ccccc1[C@H](C)CC(=O)NCc1c([O-])cccc1F ZINC000928712679 628180637 /nfs/dbraw/zinc/18/06/37/628180637.db2.gz VXQOPMLQJNSPFB-GFCCVEGCSA-N -1 3 317.360 3.350 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)[C@H]1O ZINC000827152053 628928800 /nfs/dbraw/zinc/92/88/00/628928800.db2.gz PTTAZDSYLSVNCY-WOFXILAISA-N -1 3 304.217 3.148 20 10 DGCDHM C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1O ZINC000827947032 629006618 /nfs/dbraw/zinc/00/66/18/629006618.db2.gz YVHJPYGZMDZLGU-GFCCVEGCSA-N -1 3 317.360 3.437 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2ccsc2C(=O)[O-])cc1 ZINC000830831192 629309577 /nfs/dbraw/zinc/30/95/77/629309577.db2.gz TYTCSMKWQQJHJP-UHFFFAOYSA-N -1 3 304.415 3.144 20 10 DGCDHM CCCn1ncc(NC(=O)c2ccc(C)c(O)c2[O-])c1C1CC1 ZINC000834043498 629666671 /nfs/dbraw/zinc/66/66/71/629666671.db2.gz CVMISKBAQCBNHR-UHFFFAOYSA-N -1 3 315.373 3.142 20 10 DGCDHM CN(CCNC(=O)OC(C)(C)C)Cc1c([O-])cccc1Cl ZINC000835077253 629845465 /nfs/dbraw/zinc/84/54/65/629845465.db2.gz MWOHUGRTLDHETQ-UHFFFAOYSA-N -1 3 314.813 3.002 20 10 DGCDHM COCCN(Cc1cccnc1)Cc1c([O-])cc(C)cc1Cl ZINC000840948369 630382435 /nfs/dbraw/zinc/38/24/35/630382435.db2.gz GSRUUIKHVKLGJD-UHFFFAOYSA-N -1 3 320.820 3.398 20 10 DGCDHM C[C@H](CO)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000846059083 631208986 /nfs/dbraw/zinc/20/89/86/631208986.db2.gz XSTCULYFQCPRIU-SNVBAGLBSA-N -1 3 301.789 3.025 20 10 DGCDHM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])c1cnn(C)c1 ZINC000847078827 631399058 /nfs/dbraw/zinc/39/90/58/631399058.db2.gz UOGMIJSBHBUWDB-UHFFFAOYSA-N -1 3 307.781 3.008 20 10 DGCDHM CC[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Cl)ccc1[O-] ZINC000848560878 631692761 /nfs/dbraw/zinc/69/27/61/631692761.db2.gz MNHIRIKKVCZWJG-GFCCVEGCSA-N -1 3 323.828 3.028 20 10 DGCDHM CCc1ccc([C@H]2COCCN2Cc2cc(F)ccc2[O-])o1 ZINC000180166264 659953786 /nfs/dbraw/zinc/95/37/86/659953786.db2.gz AZIGTJSNOCLSOG-OAHLLOKOSA-N -1 3 305.349 3.260 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(OC(F)F)cc1 ZINC000186878851 660579349 /nfs/dbraw/zinc/57/93/49/660579349.db2.gz PRJSMOMPDZHQOU-SECBINFHSA-N -1 3 323.295 3.190 20 10 DGCDHM O=C(N[C@@H]1CCSc2c(F)cccc21)c1cccc(O)c1[O-] ZINC000186923685 660587428 /nfs/dbraw/zinc/58/74/28/660587428.db2.gz WPFMEUJYBKVVNM-GFCCVEGCSA-N -1 3 319.357 3.204 20 10 DGCDHM CC[C@]1(C)COCCN1Cc1ccc(Br)cc1[O-] ZINC000707691504 660916754 /nfs/dbraw/zinc/91/67/54/660916754.db2.gz QZUWPTHICNYMIQ-CQSZACIVSA-N -1 3 314.223 3.156 20 10 DGCDHM C[C@H](CNC(=O)c1cccc(O)c1[O-])Sc1ccccc1 ZINC000187142787 660957633 /nfs/dbraw/zinc/95/76/33/660957633.db2.gz UYRHUVOQNLEZNH-LLVKDONJSA-N -1 3 303.383 3.008 20 10 DGCDHM CC[C@@H]1CN(Cc2cccc(Br)c2[O-])CCCO1 ZINC000305961581 655572460 /nfs/dbraw/zinc/57/24/60/655572460.db2.gz PBSHMNPLLZSHCA-GFCCVEGCSA-N -1 3 314.223 3.156 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cn(Cc2ccccc2)nn1 ZINC000795805669 661173701 /nfs/dbraw/zinc/17/37/01/661173701.db2.gz KDSXOSWJRSYXIU-UHFFFAOYSA-N -1 3 314.776 3.298 20 10 DGCDHM CCn1c2ccccc2nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177666369 655938726 /nfs/dbraw/zinc/93/87/26/655938726.db2.gz OSCMRYWGXABUGQ-UHFFFAOYSA-N -1 3 311.341 3.028 20 10 DGCDHM O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000184772895 656425576 /nfs/dbraw/zinc/42/55/76/656425576.db2.gz JVGJRBALDBMFHT-UHFFFAOYSA-N -1 3 311.259 3.047 20 10 DGCDHM Cc1cccc(N2CCN(Cc3cccc(F)c3[O-])CC2)c1 ZINC000317417086 656615159 /nfs/dbraw/zinc/61/51/59/656615159.db2.gz YILJQKGJRNYDJX-UHFFFAOYSA-N -1 3 300.377 3.162 20 10 DGCDHM C[C@@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1[O-] ZINC000320513176 657557642 /nfs/dbraw/zinc/55/76/42/657557642.db2.gz DZLGHKCIBUFFQU-LLVKDONJSA-N -1 3 315.348 3.234 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1scnc1C1CC1 ZINC000930595141 661414176 /nfs/dbraw/zinc/41/41/76/661414176.db2.gz VUEDFBAFWXHXFC-UHFFFAOYSA-N -1 3 307.350 3.187 20 10 DGCDHM CC[C@@H](C)n1nc(NC(=O)NCc2c([O-])cccc2F)cc1C ZINC000930714802 661424079 /nfs/dbraw/zinc/42/40/79/661424079.db2.gz ADGRACYSTKAZSO-SNVBAGLBSA-N -1 3 320.368 3.329 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(c3ncco3)CC2)c1[O-] ZINC000931448460 661477167 /nfs/dbraw/zinc/47/71/67/661477167.db2.gz GBSKRAAXRIEVSU-UHFFFAOYSA-N -1 3 318.348 3.102 20 10 DGCDHM C[C@@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)cc1[O-] ZINC000188656201 661938709 /nfs/dbraw/zinc/93/87/09/661938709.db2.gz DSDGLTSFDREAKZ-LLVKDONJSA-N -1 3 303.333 3.482 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1-c1ccc(C)cc1 ZINC000193153150 662124155 /nfs/dbraw/zinc/12/41/55/662124155.db2.gz PYXJHEPTCWSUQM-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1 ZINC000193317409 662130097 /nfs/dbraw/zinc/13/00/97/662130097.db2.gz SYUILHVBOQNCQK-UHFFFAOYSA-N -1 3 305.399 3.392 20 10 DGCDHM CN(C)c1ccc(/C=C\CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001578998467 1191963963 /nfs/dbraw/zinc/96/39/63/1191963963.db2.gz LPRYEIVYKNOEMZ-PLNGDYQASA-N -1 3 320.400 3.058 20 10 DGCDHM CN(C)c1ccc(/C=C\CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001578998467 1191963968 /nfs/dbraw/zinc/96/39/68/1191963968.db2.gz LPRYEIVYKNOEMZ-PLNGDYQASA-N -1 3 320.400 3.058 20 10 DGCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1ccccc1Cl ZINC001584677600 1192212696 /nfs/dbraw/zinc/21/26/96/1192212696.db2.gz UEQJQYDGJRKCIU-UHFFFAOYSA-N -1 3 319.788 3.459 20 10 DGCDHM Cc1cc(O)c(CNc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001592055740 1192590865 /nfs/dbraw/zinc/59/08/65/1192590865.db2.gz CNDSEWCMBFCVQP-UHFFFAOYSA-N -1 3 315.764 3.146 20 10 DGCDHM c1csc(Sc2ncc(-c3nnn[n-]3)c3ccsc32)n1 ZINC001593588920 1192638333 /nfs/dbraw/zinc/63/83/33/1192638333.db2.gz JABVBRQTLILGBN-UHFFFAOYSA-N -1 3 318.412 3.084 20 10 DGCDHM c1csc(Sc2ncc(-c3nn[n-]n3)c3ccsc32)n1 ZINC001593588920 1192638335 /nfs/dbraw/zinc/63/83/35/1192638335.db2.gz JABVBRQTLILGBN-UHFFFAOYSA-N -1 3 318.412 3.084 20 10 DGCDHM O=C(CCn1ccc2ccccc21)NCc1c([O-])cccc1F ZINC001596910849 1192710310 /nfs/dbraw/zinc/71/03/10/1192710310.db2.gz ABUMOIHHZRGXNE-UHFFFAOYSA-N -1 3 312.344 3.193 20 10 DGCDHM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(F)cc1F ZINC001344043308 1179368979 /nfs/dbraw/zinc/36/89/79/1179368979.db2.gz YSTJQKKXYCLXNF-UHFFFAOYSA-N -1 3 309.659 3.407 20 10 DGCDHM CCCCNC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001200468894 1180666837 /nfs/dbraw/zinc/66/68/37/1180666837.db2.gz ZHWWCZHCIGZMMD-UHFFFAOYSA-N -1 3 323.849 3.358 20 10 DGCDHM CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336876 1193066115 /nfs/dbraw/zinc/06/61/15/1193066115.db2.gz BZVALEPQRXNSKY-JDFRZJQESA-N -1 3 321.417 3.192 20 10 DGCDHM C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604325562 1193064359 /nfs/dbraw/zinc/06/43/59/1193064359.db2.gz OSJGAPULICLYIQ-APPDUMDISA-N -1 3 312.369 3.287 20 10 DGCDHM C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338635 1193066696 /nfs/dbraw/zinc/06/66/96/1193066696.db2.gz PRIXQXGXSVQMKK-TZTCFGBESA-N -1 3 315.772 3.446 20 10 DGCDHM CCC(=O)c1cc(C(=O)NCc2c([O-])cccc2F)ccc1F ZINC001456028608 1182393326 /nfs/dbraw/zinc/39/33/26/1182393326.db2.gz JRKZNDJGPJCVMB-UHFFFAOYSA-N -1 3 319.307 3.193 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC001456027086 1182393618 /nfs/dbraw/zinc/39/36/18/1182393618.db2.gz CNLKTBHFFSNLKF-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM O=C(CCCc1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001456030007 1182394559 /nfs/dbraw/zinc/39/45/59/1182394559.db2.gz PNAGQRMPFJVGCQ-UHFFFAOYSA-N -1 3 305.324 3.310 20 10 DGCDHM CC(C)C1CN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001462153953 1182915788 /nfs/dbraw/zinc/91/57/88/1182915788.db2.gz FUCPTUNBKXVRQM-UHFFFAOYSA-N -1 3 302.187 3.382 20 10 DGCDHM CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001607391351 1193226791 /nfs/dbraw/zinc/22/67/91/1193226791.db2.gz JZJDYAGZVOEHSL-RAIGVLPGSA-N -1 3 309.431 3.415 20 10 DGCDHM CSCCc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001470970050 1183528624 /nfs/dbraw/zinc/52/86/24/1183528624.db2.gz MHTAPBSCXSDHGC-UHFFFAOYSA-N -1 3 303.383 3.256 20 10 DGCDHM CCSc1ccccc1CCNC(=O)c1cccc(O)c1[O-] ZINC001471756212 1183587725 /nfs/dbraw/zinc/58/77/25/1183587725.db2.gz SVQMFHFCGNICOY-UHFFFAOYSA-N -1 3 317.410 3.182 20 10 DGCDHM O=C(CCOc1ccccc1Cl)NCc1c([O-])cccc1F ZINC001471974814 1183604227 /nfs/dbraw/zinc/60/42/27/1183604227.db2.gz LCGBJAMPILYBRR-UHFFFAOYSA-N -1 3 323.751 3.270 20 10 DGCDHM [O-]c1c(Cl)cccc1CN[C@@H](CO)c1ccc(F)cc1F ZINC001474639924 1183954839 /nfs/dbraw/zinc/95/48/39/1183954839.db2.gz SRQFSMHXWOUVQZ-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1noc2ccc(F)cc12 ZINC001474672327 1183959769 /nfs/dbraw/zinc/95/97/69/1183959769.db2.gz CHIXZHKKLVLFTG-UHFFFAOYSA-N -1 3 308.259 3.241 20 10 DGCDHM Cn1ccc2ccc(NC(=O)NCc3c([O-])cccc3F)cc21 ZINC001476425407 1184039439 /nfs/dbraw/zinc/03/94/39/1184039439.db2.gz TUUKKYGADXJVFM-UHFFFAOYSA-N -1 3 313.332 3.345 20 10 DGCDHM O=C([O-])c1cnc(S[C@@H]2CCN(Cc3ccccc3)C2)s1 ZINC001608978783 1193317637 /nfs/dbraw/zinc/31/76/37/1193317637.db2.gz RJFGIFFGQCBMPA-GFCCVEGCSA-N -1 3 320.439 3.208 20 10 DGCDHM C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609755259 1193354623 /nfs/dbraw/zinc/35/46/23/1193354623.db2.gz YTNCTARQIGXANQ-NWDGAFQWSA-N -1 3 315.369 3.078 20 10 DGCDHM Cc1cc(O)c(CN[C@@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610475918 1193391267 /nfs/dbraw/zinc/39/12/67/1193391267.db2.gz PIXGOGCOIMYTHC-MRXNPFEDSA-N -1 3 321.323 3.203 20 10 DGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C(F)(F)F)o1 ZINC001558454382 1189126448 /nfs/dbraw/zinc/12/64/48/1189126448.db2.gz GFFMMGIBYNTSJU-UHFFFAOYSA-N -1 3 317.238 3.382 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1OC(F)F ZINC001558455076 1189126465 /nfs/dbraw/zinc/12/64/65/1189126465.db2.gz NHHADDJAUFRYAS-UHFFFAOYSA-N -1 3 311.259 3.063 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H](C(F)(F)F)O1 ZINC001560632890 1189353123 /nfs/dbraw/zinc/35/31/23/1189353123.db2.gz ZNSJXJVSZICILL-PRHODGIISA-N -1 3 309.715 3.197 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC[C@@H]1C1CC1 ZINC001564921806 1189606484 /nfs/dbraw/zinc/60/64/84/1189606484.db2.gz MCLMPUHCDXXVMJ-CHWSQXEVSA-N -1 3 306.381 3.157 20 10 DGCDHM Cc1cc([O-])c(CN2CC(=O)N(C(C)C)C(C)(C)C2)cc1Cl ZINC001621114263 1193804750 /nfs/dbraw/zinc/80/47/50/1193804750.db2.gz FJZVLXPBTRGMHQ-UHFFFAOYSA-N -1 3 324.852 3.185 20 10 DGCDHM Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000037375943 1193926434 /nfs/dbraw/zinc/92/64/34/1193926434.db2.gz MVCAIRYKONEKGJ-UHFFFAOYSA-N -1 3 317.197 3.376 20 10 DGCDHM CC[C@H](Oc1cccc(C)c1)C(=O)NCc1c([O-])cccc1F ZINC001635360244 1194547100 /nfs/dbraw/zinc/54/71/00/1194547100.db2.gz FRMIZOMRMCJARK-KRWDZBQOSA-N -1 3 317.360 3.314 20 10 DGCDHM Cc1cccc(Cl)c1CC(=O)NCc1c([O-])cccc1F ZINC001635367101 1194547572 /nfs/dbraw/zinc/54/75/72/1194547572.db2.gz YZNCQAVUPYWHDM-UHFFFAOYSA-N -1 3 307.752 3.352 20 10 DGCDHM O=C(Nc1cnc2c(ccc(F)c2F)c1)c1cccc(O)c1[O-] ZINC001644916246 1195142132 /nfs/dbraw/zinc/14/21/32/1195142132.db2.gz JFYNIEXQGVGQFZ-UHFFFAOYSA-N -1 3 316.263 3.177 20 10 DGCDHM Cc1nc2ccc(C(=O)NCc3c([O-])cccc3F)cc2s1 ZINC001645048321 1195152692 /nfs/dbraw/zinc/15/26/92/1195152692.db2.gz PXDPVTMESJOWOZ-UHFFFAOYSA-N -1 3 316.357 3.379 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1CCc2ccccc2CC1 ZINC001652298573 1195576625 /nfs/dbraw/zinc/57/66/25/1195576625.db2.gz MOFJMHVZZUJABF-UHFFFAOYSA-N -1 3 313.372 3.343 20 10 DGCDHM COc1ccc2c(c1)[C@H](NCc1cc(F)c(F)cc1[O-])CCO2 ZINC001657657878 1196166058 /nfs/dbraw/zinc/16/60/58/1196166058.db2.gz OYKRALJFKORIEK-OAHLLOKOSA-N -1 3 321.323 3.292 20 10 DGCDHM C[C@]1(c2cccc(NCc3cccc(F)c3[O-])c2)COC(=O)N1 ZINC001658807289 1196303243 /nfs/dbraw/zinc/30/32/43/1196303243.db2.gz ZMHQIHIZZBZDPQ-QGZVFWFLSA-N -1 3 316.332 3.098 20 10 DGCDHM CN1CCN(Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC001663903921 1196956436 /nfs/dbraw/zinc/95/64/36/1196956436.db2.gz UPGIUHNZUCDZRL-UHFFFAOYSA-N -1 3 304.340 3.122 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2cc(F)ccc21 ZINC001676529480 1198342823 /nfs/dbraw/zinc/34/28/23/1198342823.db2.gz JUAVHDJMTBCURT-OAHLLOKOSA-N -1 3 318.323 3.157 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCc2ccc(F)cc21 ZINC001677287534 1198509537 /nfs/dbraw/zinc/50/95/37/1198509537.db2.gz FFXIXOWDNYHPHC-HNNXBMFYSA-N -1 3 318.323 3.157 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2c1cccc2F ZINC001685347405 1199466990 /nfs/dbraw/zinc/46/69/90/1199466990.db2.gz XUZLHSGUHZSDFH-OAHLLOKOSA-N -1 3 318.323 3.157 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C(C)(C)C)CC2)c1[O-] ZINC000315323281 1199805493 /nfs/dbraw/zinc/80/54/93/1199805493.db2.gz LRZXNMWDKGBCNF-UHFFFAOYSA-N -1 3 324.852 3.164 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)cc1O ZINC000235895742 1202605016 /nfs/dbraw/zinc/60/50/16/1202605016.db2.gz LINLLSVJPUMJPK-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM CCCc1nc(C)c(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)o1 ZINC001596083800 983406714 /nfs/dbraw/zinc/40/67/14/983406714.db2.gz VJKAQWPNEDQAJW-SNVBAGLBSA-N -1 3 318.373 3.190 20 10 DGCDHM CN(C)c1ccc(CN(Cc2ccoc2C(=O)[O-])C2CC2)cc1 ZINC001598317714 991307145 /nfs/dbraw/zinc/30/71/45/991307145.db2.gz KKKBLBKHDZUZJE-UHFFFAOYSA-N -1 3 314.385 3.208 20 10 DGCDHM COc1ccc2ccc([O-])c(C[N@@H+](CC(=O)[O-])CC(C)C)c2c1 ZINC001599636298 994293835 /nfs/dbraw/zinc/29/38/35/994293835.db2.gz MVSTUHJIRONEDN-UHFFFAOYSA-N -1 3 317.385 3.097 20 10 DGCDHM COc1ccc2ccc([O-])c(C[N@H+](CC(=O)[O-])CC(C)C)c2c1 ZINC001599636298 994293843 /nfs/dbraw/zinc/29/38/43/994293843.db2.gz MVSTUHJIRONEDN-UHFFFAOYSA-N -1 3 317.385 3.097 20 10 DGCDHM COc1cc(C)cc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599392699 997066782 /nfs/dbraw/zinc/06/67/82/997066782.db2.gz SKORFMURTNYGDQ-LBPRGKRZSA-N -1 3 315.369 3.258 20 10 DGCDHM COCc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599293029 997093722 /nfs/dbraw/zinc/09/37/22/997093722.db2.gz AQJSIBILBQCEQD-LBPRGKRZSA-N -1 3 315.369 3.088 20 10 DGCDHM COCC[C@@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219132 997634707 /nfs/dbraw/zinc/63/47/07/997634707.db2.gz WPBWLDHDZBGMPD-BXUZGUMPSA-N -1 3 319.357 3.112 20 10 DGCDHM C[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])[C@H]1CO ZINC001236794149 1099786691 /nfs/dbraw/zinc/78/66/91/1099786691.db2.gz QEEATGNXDMPRRV-ZANVPECISA-N -1 3 304.217 3.292 20 10 DGCDHM O=c1[n-]c(NCc2ccc(O)c(O)c2)c(Cl)cc1Cl ZINC001169994101 1081811058 /nfs/dbraw/zinc/81/10/58/1081811058.db2.gz ZAZGOBSOUPABPL-UHFFFAOYSA-N -1 3 301.129 3.117 20 10 DGCDHM Cc1ncccc1CN(C)Cc1c([O-])cccc1Br ZINC001140103943 1081842496 /nfs/dbraw/zinc/84/24/96/1081842496.db2.gz VDFZPBPBGSNDPK-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM CC[C@H]1CN(CC)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001170272609 1082332394 /nfs/dbraw/zinc/33/23/94/1082332394.db2.gz JYISGVYZFIOXEY-HNNXBMFYSA-N -1 3 324.852 3.164 20 10 DGCDHM C[C@@H]1CCN(Cc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000694871981 1083151050 /nfs/dbraw/zinc/15/10/50/1083151050.db2.gz SDXURZIWWVKYMN-MNOVXSKESA-N -1 3 314.223 3.154 20 10 DGCDHM CCN(C)C(=O)c1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001181612035 1083501156 /nfs/dbraw/zinc/50/11/56/1083501156.db2.gz SDLQIBITRAWGRW-UHFFFAOYSA-N -1 3 320.339 3.374 20 10 DGCDHM CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1cccc(F)c1[O-] ZINC001183179530 1083889146 /nfs/dbraw/zinc/88/91/46/1083889146.db2.gz FYVYIXIJHXSCBX-KRWDZBQOSA-N -1 3 309.381 3.228 20 10 DGCDHM CC1(C)CC[C@@H](CO)N(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001183512148 1083965196 /nfs/dbraw/zinc/96/51/96/1083965196.db2.gz YXKWDGCAJLRSKA-LBPRGKRZSA-N -1 3 301.789 3.168 20 10 DGCDHM CCOC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203580319 1084086553 /nfs/dbraw/zinc/08/65/53/1084086553.db2.gz MWWGNHGWGNGIPW-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1Cl ZINC001185524553 1084463172 /nfs/dbraw/zinc/46/31/72/1084463172.db2.gz JHIUQAPIAFOYCO-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Br)ccc1[O-] ZINC001203645727 1084702845 /nfs/dbraw/zinc/70/28/45/1084702845.db2.gz NUMDHYGMPGGYBU-BETUJISGSA-N -1 3 324.218 3.241 20 10 DGCDHM O=C(C[C@@H]1CCc2ccccc2C1)NCc1c([O-])cccc1F ZINC001156170505 1089416317 /nfs/dbraw/zinc/41/63/17/1089416317.db2.gz OMXPMLJDPNQHKZ-CYBMUJFWSA-N -1 3 313.372 3.343 20 10 DGCDHM Cc1nc(NCc2cc(Cl)c3cccnc3c2[O-])ncc1F ZINC001157726363 1090088359 /nfs/dbraw/zinc/08/83/59/1090088359.db2.gz MOMBUZJXTAQLJP-UHFFFAOYSA-N -1 3 318.739 3.443 20 10 DGCDHM Cc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])c(N)c1 ZINC001157726373 1090088722 /nfs/dbraw/zinc/08/87/22/1090088722.db2.gz NEKDOIPIAHPXHD-UHFFFAOYSA-N -1 3 314.776 3.492 20 10 DGCDHM C[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)[C@@H]1CO ZINC001237077699 1090283666 /nfs/dbraw/zinc/28/36/66/1090283666.db2.gz JNDADOPHGALDSG-JOYOIKCWSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCc2ncccc2C1 ZINC001203643237 1090771945 /nfs/dbraw/zinc/77/19/45/1090771945.db2.gz VUKVKGSCOXLUSE-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1Cc2ncsc2C1 ZINC001203650201 1090773439 /nfs/dbraw/zinc/77/34/39/1090773439.db2.gz MWIJKWCXXRQCPP-UHFFFAOYSA-N -1 3 311.204 3.127 20 10 DGCDHM Cc1nc([C@@H]2COCCN2Cc2cc(Cl)ccc2[O-])cs1 ZINC001203656086 1090774533 /nfs/dbraw/zinc/77/45/33/1090774533.db2.gz HEPAZKPCEAGGHK-AWEZNQCLSA-N -1 3 324.833 3.384 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCc2nc(Cl)ncc2C1 ZINC001203663652 1090775852 /nfs/dbraw/zinc/77/58/52/1090775852.db2.gz CJRSOJITFRGPOU-UHFFFAOYSA-N -1 3 310.184 3.047 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](c2ccncn2)C1 ZINC001204852006 1091047981 /nfs/dbraw/zinc/04/79/81/1091047981.db2.gz UNNLAHQAIZODKV-LLVKDONJSA-N -1 3 321.783 3.354 20 10 DGCDHM CC(C)(C)OC(=O)C1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837922 1091209217 /nfs/dbraw/zinc/20/92/17/1091209217.db2.gz ZGSGJFCQDMZYRM-UHFFFAOYSA-N -1 3 309.381 3.085 20 10 DGCDHM Cc1cc(C)c(NC(=O)NCc2c([O-])cccc2F)c(C)n1 ZINC001205908046 1091404054 /nfs/dbraw/zinc/40/40/54/1091404054.db2.gz QAWCYNVSBKYFIC-UHFFFAOYSA-N -1 3 303.337 3.173 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](Oc2ccccc2)C1 ZINC001139685292 1091641362 /nfs/dbraw/zinc/64/13/62/1091641362.db2.gz VULUPNZPXFNFOM-ZDUSSCGKSA-N -1 3 305.324 3.324 20 10 DGCDHM Cc1ccc(O[C@@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)nc1 ZINC001139686932 1091642969 /nfs/dbraw/zinc/64/29/69/1091642969.db2.gz INDDGQBOZDRVDY-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM CC(C)[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC001140101453 1091768668 /nfs/dbraw/zinc/76/86/68/1091768668.db2.gz SQVDCZYNTMUSLA-CYBMUJFWSA-N -1 3 314.223 3.012 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCC(F)(F)[C@@H](F)C1 ZINC001140098972 1091766289 /nfs/dbraw/zinc/76/62/89/1091766289.db2.gz VOLFROCBWHSJFT-NSHDSACASA-N -1 3 324.140 3.334 20 10 DGCDHM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001298514749 1092066615 /nfs/dbraw/zinc/06/66/15/1092066615.db2.gz ZIURPFJMXNWWDH-HUUCEWRRSA-N -1 3 311.381 3.412 20 10 DGCDHM Cc1cnccc1O[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531339 1092496426 /nfs/dbraw/zinc/49/64/26/1092496426.db2.gz VFQQKODKACFSAR-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM CN(C)c1ccc(Cl)cc1NC(=O)c1cccc(O)c1[O-] ZINC001142863379 1092570815 /nfs/dbraw/zinc/57/08/15/1092570815.db2.gz SIKJUROXJGWNNS-UHFFFAOYSA-N -1 3 306.749 3.070 20 10 DGCDHM Cc1cccc([O-])c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001150376997 1092774703 /nfs/dbraw/zinc/77/47/03/1092774703.db2.gz FRRVAZFSXCQCSK-UHFFFAOYSA-N -1 3 311.381 3.215 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001215146026 1093926950 /nfs/dbraw/zinc/92/69/50/1093926950.db2.gz XLIBCWZPKJAELA-UHFFFAOYSA-N -1 3 323.230 3.229 20 10 DGCDHM COc1c(F)c(F)ccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215146033 1093927122 /nfs/dbraw/zinc/92/71/22/1093927122.db2.gz XUPFMSTVLGKENA-UHFFFAOYSA-N -1 3 320.251 3.102 20 10 DGCDHM Cc1ccc(Cl)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327739 1093961450 /nfs/dbraw/zinc/96/14/50/1093961450.db2.gz QMVFKBWKKMEKPM-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1cccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)n1 ZINC001216953263 1094283431 /nfs/dbraw/zinc/28/34/31/1094283431.db2.gz FLKQFYXVASDCJI-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM CC[C@@H](C)[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC001217096190 1094304914 /nfs/dbraw/zinc/30/49/14/1094304914.db2.gz OVZMKZAHGBJHLK-PRHODGIISA-N -1 3 322.302 3.308 20 10 DGCDHM CCOc1cccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c1[O-] ZINC000316286691 1095166514 /nfs/dbraw/zinc/16/65/14/1095166514.db2.gz KXYHZIGQTHBQLY-CQSZACIVSA-N -1 3 307.390 3.010 20 10 DGCDHM CCOc1cccc(C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c1[O-] ZINC000316286691 1095166519 /nfs/dbraw/zinc/16/65/19/1095166519.db2.gz KXYHZIGQTHBQLY-CQSZACIVSA-N -1 3 307.390 3.010 20 10 DGCDHM CC[C@@H](Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001221725007 1095334968 /nfs/dbraw/zinc/33/49/68/1095334968.db2.gz AGVDHAMYWOBQCY-AWEZNQCLSA-N -1 3 316.376 3.352 20 10 DGCDHM COc1cccc(CN(C)Cc2cccc(F)c2[O-])c1OC ZINC001138129522 1095897626 /nfs/dbraw/zinc/89/76/26/1095897626.db2.gz IPXIKEFAIXBOHR-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM CC(C)CSCCCNC(=O)NCc1c([O-])cccc1F ZINC001224247360 1096171704 /nfs/dbraw/zinc/17/17/04/1096171704.db2.gz OWKLTMOHULSPML-UHFFFAOYSA-N -1 3 314.426 3.110 20 10 DGCDHM O=C(Nc1cc(Cl)cc2ncoc21)c1cccc(O)c1[O-] ZINC001148218912 1096327475 /nfs/dbraw/zinc/32/74/75/1096327475.db2.gz NVZVEGRGDUNCJO-UHFFFAOYSA-N -1 3 304.689 3.145 20 10 DGCDHM Cc1c(C)c(NC(=O)c2cccc(O)c2[O-])c(C)c(C)c1N ZINC001148218893 1096328609 /nfs/dbraw/zinc/32/86/09/1096328609.db2.gz MKNSSEFCGREESN-UHFFFAOYSA-N -1 3 300.358 3.166 20 10 DGCDHM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1cc(O)c([O-])c(O)c1 ZINC001148586379 1096407611 /nfs/dbraw/zinc/40/76/11/1096407611.db2.gz MKDRTFJMRHHAHO-UHFFFAOYSA-N -1 3 318.716 3.190 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC001231452146 1097751946 /nfs/dbraw/zinc/75/19/46/1097751946.db2.gz FNVWRSKDKBXFJZ-ZDUSSCGKSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c([O-])c1 ZINC001231452146 1097751949 /nfs/dbraw/zinc/75/19/49/1097751949.db2.gz FNVWRSKDKBXFJZ-ZDUSSCGKSA-N -1 3 315.344 3.219 20 10 DGCDHM CCN(Cc1ccc(C(=O)[O-])cc1O)Cc1ccccc1F ZINC001231455892 1097753342 /nfs/dbraw/zinc/75/33/42/1097753342.db2.gz WNZWRXJAVAPGJN-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231454950 1097753759 /nfs/dbraw/zinc/75/37/59/1097753759.db2.gz LBNOPEXCWFYFBV-LBPRGKRZSA-N -1 3 315.369 3.292 20 10 DGCDHM COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231454950 1097753763 /nfs/dbraw/zinc/75/37/63/1097753763.db2.gz LBNOPEXCWFYFBV-LBPRGKRZSA-N -1 3 315.369 3.292 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@H](c3ccccn3)C2)cc1Cl ZINC001231870678 1097872239 /nfs/dbraw/zinc/87/22/39/1097872239.db2.gz NWAYPVVMUILOJR-QGZVFWFLSA-N -1 3 318.804 3.323 20 10 DGCDHM COc1cc([O-])c(CN2CC3(C2)C[C@H](F)CS3)cc1Cl ZINC001232269204 1097989112 /nfs/dbraw/zinc/98/91/12/1097989112.db2.gz SVECTXVHSNEBKS-JTQLQIEISA-N -1 3 317.813 3.084 20 10 DGCDHM [O-]c1c(CN2CC[C@@H](Oc3ccccc3)C2)ccc(F)c1F ZINC001233077317 1098219669 /nfs/dbraw/zinc/21/96/69/1098219669.db2.gz INRSZIVZXORKIY-CQSZACIVSA-N -1 3 305.324 3.324 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](OCc2ccccc2)C1 ZINC001233334837 1098291775 /nfs/dbraw/zinc/29/17/75/1098291775.db2.gz VVZYTRHAHAKPLI-AWEZNQCLSA-N -1 3 319.351 3.462 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cscc1C(F)F ZINC001178413448 1098828965 /nfs/dbraw/zinc/82/89/65/1098828965.db2.gz RXSSCPFVHDTWJK-UHFFFAOYSA-N -1 3 301.289 3.460 20 10 DGCDHM Nc1cccc2c1CCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001236365105 1099553311 /nfs/dbraw/zinc/55/33/11/1099553311.db2.gz CVPQSPGZGKTYJD-UHFFFAOYSA-N -1 3 306.768 3.325 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N)cc2)c(C)cc1Cl ZINC001237604234 1100186088 /nfs/dbraw/zinc/18/60/88/1100186088.db2.gz BGUVWGRGXCJFQA-UHFFFAOYSA-N -1 3 310.806 3.340 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN(CCO)Cc1cccs1 ZINC001237621379 1100192183 /nfs/dbraw/zinc/19/21/83/1100192183.db2.gz ZESUXHLQBSQDBM-UHFFFAOYSA-N -1 3 315.797 3.241 20 10 DGCDHM Cc1cc([O-])c(CN2Cc3ccncc3C2)cc1Br ZINC001237679885 1100211917 /nfs/dbraw/zinc/21/19/17/1100211917.db2.gz VVRJARQUCIHUGF-UHFFFAOYSA-N -1 3 319.202 3.374 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H](Oc2ccncc2)C1 ZINC001237800833 1100251192 /nfs/dbraw/zinc/25/11/92/1100251192.db2.gz BYAGSSVTCIMFAE-AWEZNQCLSA-N -1 3 322.767 3.233 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@H](F)CO2)CC1 ZINC001237806392 1100253333 /nfs/dbraw/zinc/25/33/33/1100253333.db2.gz VEMORZXLCBYYHC-LBPRGKRZSA-N -1 3 317.763 3.278 20 10 DGCDHM O=C([N-]c1c2nonc2ccc1Cl)c1occ2c1CCC2 ZINC001327167230 1103564389 /nfs/dbraw/zinc/56/43/89/1103564389.db2.gz PRKZNQZHJACEPC-UHFFFAOYSA-N -1 3 303.705 3.210 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@](C)(C(F)F)C2)cc1Cl ZINC001330434200 1104551410 /nfs/dbraw/zinc/55/14/10/1104551410.db2.gz HQHSZXYXKGBBRI-AWEZNQCLSA-N -1 3 305.752 3.210 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CC[C@](F)(CO)C2)cc1Cl ZINC001248881222 1105185791 /nfs/dbraw/zinc/18/57/91/1105185791.db2.gz UCKRIMCYAKMMSB-MRXNPFEDSA-N -1 3 315.816 3.249 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccn(C3CCCCC3)n2)c([O-])c1O ZINC001320825171 1107151549 /nfs/dbraw/zinc/15/15/49/1107151549.db2.gz LVKZPFYPUHSLBR-UHFFFAOYSA-N -1 3 315.373 3.360 20 10 DGCDHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c1C ZINC001260998654 1107341746 /nfs/dbraw/zinc/34/17/46/1107341746.db2.gz OZJYVVUQMZUVJW-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCCc3c(C)[nH]nc32)c1[O-] ZINC001308144195 1111384137 /nfs/dbraw/zinc/38/41/37/1111384137.db2.gz ZIYUYZKJTMRUJX-UHFFFAOYSA-N -1 3 319.792 3.233 20 10 DGCDHM [O-]c1c(F)cccc1CNCc1cccc(C(F)(F)F)n1 ZINC001308773109 1111473144 /nfs/dbraw/zinc/47/31/44/1111473144.db2.gz FWDNXYDSWRCKGR-UHFFFAOYSA-N -1 3 300.255 3.235 20 10 DGCDHM O=C(NCc1cccc(C(F)F)c1)NCc1c([O-])cccc1F ZINC001312502735 1111657367 /nfs/dbraw/zinc/65/73/67/1111657367.db2.gz NKXMGAWVZZJBCR-UHFFFAOYSA-N -1 3 324.302 3.468 20 10 DGCDHM COc1ccccc1C(C)(C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000103171928 432004866 /nfs/dbraw/zinc/00/48/66/432004866.db2.gz XWXUGMDLDWCUIU-UHFFFAOYSA-N -1 3 316.357 3.334 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccccn2)c1[O-] ZINC000091701814 193093455 /nfs/dbraw/zinc/09/34/55/193093455.db2.gz WLALYMNPRNDYIK-LLVKDONJSA-N -1 3 302.349 3.322 20 10 DGCDHM CN(Cc1nccs1)Cc1cc(Br)ccc1[O-] ZINC000093582018 193269361 /nfs/dbraw/zinc/26/93/61/193269361.db2.gz PIHFRCXOSCIEJX-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM Cc1nc(C2(NCc3cc(F)ccc3[O-])CCCCC2)no1 ZINC000272248714 130012274 /nfs/dbraw/zinc/01/22/74/130012274.db2.gz BSQRUXVQEVANCU-UHFFFAOYSA-N -1 3 305.353 3.172 20 10 DGCDHM Cc1ccc(C(=O)N2CCC[C@H]2c2ccsc2)c([O-])c1O ZINC000272854706 130069644 /nfs/dbraw/zinc/06/96/44/130069644.db2.gz TVWBUBHFHPPUME-ZDUSSCGKSA-N -1 3 303.383 3.445 20 10 DGCDHM C[C@H](N[C@@H](C)c1ccc(Br)cc1[O-])c1cnn(C)c1 ZINC000273563779 130137556 /nfs/dbraw/zinc/13/75/56/130137556.db2.gz IUCJTWOJHGFIKU-UWVGGRQHSA-N -1 3 324.222 3.300 20 10 DGCDHM C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279255623 130741062 /nfs/dbraw/zinc/74/10/62/130741062.db2.gz IRDIDQALHSYHTN-HIFRSBDPSA-N -1 3 311.381 3.191 20 10 DGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2c(F)cncc2F)c1[O-] ZINC000285899231 131209233 /nfs/dbraw/zinc/20/92/33/131209233.db2.gz ZRCNSKVGIFCLGU-MRVPVSSYSA-N -1 3 324.302 3.258 20 10 DGCDHM CCCOc1ccc(CNCc2noc3c2CCCC3)c([O-])c1 ZINC000288510846 131328744 /nfs/dbraw/zinc/32/87/44/131328744.db2.gz SYYBNPBZEPVFBD-UHFFFAOYSA-N -1 3 316.401 3.338 20 10 DGCDHM CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000288739984 131337899 /nfs/dbraw/zinc/33/78/99/131337899.db2.gz ZVPUWONLULXUJZ-OAHLLOKOSA-N -1 3 315.369 3.330 20 10 DGCDHM CC[C@@H](NCC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287700167 286902186 /nfs/dbraw/zinc/90/21/86/286902186.db2.gz NOSBDRWKQSRQGJ-GFCCVEGCSA-N -1 3 319.232 3.264 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000180484509 228356640 /nfs/dbraw/zinc/35/66/40/228356640.db2.gz DRZKRONRWYLAGO-AWEZNQCLSA-N -1 3 304.777 3.094 20 10 DGCDHM Cc1cc(CN[C@@H](C)c2cc(Br)ccc2[O-])on1 ZINC000185356842 228391263 /nfs/dbraw/zinc/39/12/63/228391263.db2.gz DKVAKZBZOQMCFM-VIFPVBQESA-N -1 3 311.179 3.302 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](C)c3cccc(O)c32)c([O-])c1O ZINC000186343159 278787440 /nfs/dbraw/zinc/78/74/40/278787440.db2.gz ICCIIZWMFPTNHD-JTQLQIEISA-N -1 3 313.353 3.266 20 10 DGCDHM CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410781 279027303 /nfs/dbraw/zinc/02/73/03/279027303.db2.gz LCSPVNVMRFMKGY-IUCAKERBSA-N -1 3 319.232 3.216 20 10 DGCDHM Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c(F)c1 ZINC000111235094 431200550 /nfs/dbraw/zinc/20/05/50/431200550.db2.gz MMHPMDKYABSAKN-CYBMUJFWSA-N -1 3 316.376 3.299 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC000093691083 431917724 /nfs/dbraw/zinc/91/77/24/431917724.db2.gz BQQXBWSHEHYEHE-HNNXBMFYSA-N -1 3 304.777 3.094 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2cnn(C)c2C)c1[O-] ZINC000183360865 432286754 /nfs/dbraw/zinc/28/67/54/432286754.db2.gz WPPYGIZSXYANFK-SECBINFHSA-N -1 3 321.808 3.141 20 10 DGCDHM CC1(c2ccccc2)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000193146865 432454796 /nfs/dbraw/zinc/45/47/96/432454796.db2.gz KACLDTSGMRQUOU-UHFFFAOYSA-N -1 3 311.381 3.292 20 10 DGCDHM C[C@H](NCc1nccs1)c1cc(Br)ccc1[O-] ZINC000185087435 432465945 /nfs/dbraw/zinc/46/59/45/432465945.db2.gz PVELOZIECHELDC-QMMMGPOBSA-N -1 3 313.220 3.462 20 10 DGCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1c1ccccc1 ZINC000185737846 432529392 /nfs/dbraw/zinc/52/93/92/432529392.db2.gz LWIFLQVGEYJTTD-DZGCQCFKSA-N -1 3 311.381 3.364 20 10 DGCDHM CCCN(Cc1nnc2n1CCCCC2)Cc1ccccc1[O-] ZINC000263905194 432592362 /nfs/dbraw/zinc/59/23/62/432592362.db2.gz FQRUULGYAQPAMB-UHFFFAOYSA-N -1 3 314.433 3.122 20 10 DGCDHM CC[C@H](NCc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1[O-] ZINC000296241646 432887522 /nfs/dbraw/zinc/88/75/22/432887522.db2.gz CNINCCYERADRSD-LBPRGKRZSA-N -1 3 306.797 3.282 20 10 DGCDHM CC[C@H]([NH2+]Cc1nnc(C2CC2)[n-]1)c1cccc(Cl)c1[O-] ZINC000296241646 432887524 /nfs/dbraw/zinc/88/75/24/432887524.db2.gz CNINCCYERADRSD-LBPRGKRZSA-N -1 3 306.797 3.282 20 10 DGCDHM CC(C)(C)OCc1cc(CN[C@H]2CCc3cccc([O-])c32)no1 ZINC000296383261 432902626 /nfs/dbraw/zinc/90/26/26/432902626.db2.gz JHVGVMXJKAKOAW-HNNXBMFYSA-N -1 3 316.401 3.472 20 10 DGCDHM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000278916124 432916408 /nfs/dbraw/zinc/91/64/08/432916408.db2.gz JYXHWADYQHVJAZ-DZGCQCFKSA-N -1 3 311.381 3.424 20 10 DGCDHM COCc1nc(CN[C@@H](C)c2cc(Cl)ccc2[O-])cs1 ZINC000289776660 432975340 /nfs/dbraw/zinc/97/53/40/432975340.db2.gz MKZMWNCULIXNCC-VIFPVBQESA-N -1 3 312.822 3.499 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000373466361 433154359 /nfs/dbraw/zinc/15/43/59/433154359.db2.gz OERDXGTYLAFFHH-SECBINFHSA-N -1 3 302.201 3.167 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1[O-] ZINC000373472903 433153646 /nfs/dbraw/zinc/15/36/46/433153646.db2.gz GOLKYWPVOXPCJH-ZUZCIYMTSA-N -1 3 311.809 3.054 20 10 DGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000281575810 433312506 /nfs/dbraw/zinc/31/25/06/433312506.db2.gz CWESIHPTQDEOSA-IINYFYTJSA-N -1 3 311.809 3.248 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](OCC3CC3)C2)c1[O-] ZINC000375320658 433428439 /nfs/dbraw/zinc/42/84/39/433428439.db2.gz RMGBVOSJSIQDRH-MRXNPFEDSA-N -1 3 321.392 3.125 20 10 DGCDHM Cc1n[nH]cc1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000375265374 433404483 /nfs/dbraw/zinc/40/44/83/433404483.db2.gz GYWUHSHGXHCLJH-UHFFFAOYSA-N -1 3 305.809 3.457 20 10 DGCDHM CC[C@H](NCc1ncnn1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000282902599 433640642 /nfs/dbraw/zinc/64/06/42/433640642.db2.gz WUIORZFRLINYIJ-AWEZNQCLSA-N -1 3 302.422 3.288 20 10 DGCDHM CC(C)c1nnc([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])[nH]1 ZINC000293547731 433778021 /nfs/dbraw/zinc/77/80/21/433778021.db2.gz GRLDNLFWEBGFHC-MRVPVSSYSA-N -1 3 312.776 3.277 20 10 DGCDHM CC(C)c1nc([C@@H](C)NCc2cc(Cl)c(F)cc2[O-])n[nH]1 ZINC000293547731 433778028 /nfs/dbraw/zinc/77/80/28/433778028.db2.gz GRLDNLFWEBGFHC-MRVPVSSYSA-N -1 3 312.776 3.277 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cc(C)on2)c1[O-] ZINC000362847824 433885442 /nfs/dbraw/zinc/88/54/42/433885442.db2.gz QPIIZVNIXPASTB-MRXNPFEDSA-N -1 3 318.348 3.367 20 10 DGCDHM CC(C)c1nc(CNCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000294756452 434131166 /nfs/dbraw/zinc/13/11/66/434131166.db2.gz ISHYKFIAHUMMDU-UHFFFAOYSA-N -1 3 315.204 3.230 20 10 DGCDHM CO[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1(C)C ZINC000294934994 434153340 /nfs/dbraw/zinc/15/33/40/434153340.db2.gz GOJVUGFZHQEOIW-CQSZACIVSA-N -1 3 301.789 3.432 20 10 DGCDHM CC[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccccc1[O-] ZINC000295068156 434178465 /nfs/dbraw/zinc/17/84/65/434178465.db2.gz QTTHFKBAGPMITA-GFCCVEGCSA-N -1 3 311.307 3.442 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2cn[nH]c2)CC1 ZINC000365256603 434297006 /nfs/dbraw/zinc/29/70/06/434297006.db2.gz OHXMOZCFUNOOPX-UHFFFAOYSA-N -1 3 309.772 3.287 20 10 DGCDHM COc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273428431 295299747 /nfs/dbraw/zinc/29/97/47/295299747.db2.gz VBGWUDKOCFUYMC-NSHDSACASA-N -1 3 302.330 3.160 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000369390930 434592872 /nfs/dbraw/zinc/59/28/72/434592872.db2.gz GSBAISDNPUKGIU-GFCCVEGCSA-N -1 3 322.767 3.233 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](c3ccco3)C2)c1[O-] ZINC000370169258 434609559 /nfs/dbraw/zinc/60/95/59/434609559.db2.gz NMMFUEXIXGTQJW-LBPRGKRZSA-N -1 3 303.333 3.316 20 10 DGCDHM Cn1nccc1[C@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000372812805 434856045 /nfs/dbraw/zinc/85/60/45/434856045.db2.gz CCTFYDNWOBIGLJ-NSHDSACASA-N -1 3 323.799 3.298 20 10 DGCDHM CC(C)(CO)[C@H](NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000293748059 335113066 /nfs/dbraw/zinc/11/30/66/335113066.db2.gz WNINRRXVOCMLCG-MRXNPFEDSA-N -1 3 320.820 3.290 20 10 DGCDHM COc1ccc(CN(C)Cc2cccc(F)c2[O-])c(OC)c1 ZINC000272347239 334033678 /nfs/dbraw/zinc/03/36/78/334033678.db2.gz ZVLUXFUVHJJSCD-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM CCc1nc(C)c(CNCc2cc(Cl)cc(OC)c2[O-])o1 ZINC000292865247 500610153 /nfs/dbraw/zinc/61/01/53/500610153.db2.gz VSNOTCLCYSNPIP-UHFFFAOYSA-N -1 3 310.781 3.203 20 10 DGCDHM COC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000181702615 522362530 /nfs/dbraw/zinc/36/25/30/522362530.db2.gz NWYGZVBZJCOUFY-QGZVFWFLSA-N -1 3 317.360 3.211 20 10 DGCDHM COCCCOC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180354387 523384217 /nfs/dbraw/zinc/38/42/17/523384217.db2.gz JVYCMSLOBGULGQ-UHFFFAOYSA-N -1 3 313.825 3.063 20 10 DGCDHM O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc([O-])cs1 ZINC000731863785 574560454 /nfs/dbraw/zinc/56/04/54/574560454.db2.gz DZGCLPPOXTYCJL-CYBMUJFWSA-N -1 3 320.414 3.004 20 10 DGCDHM O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cc([O-])cs1 ZINC000731865351 574560761 /nfs/dbraw/zinc/56/07/61/574560761.db2.gz CAHOHUDDFGNEKZ-HNNXBMFYSA-N -1 3 316.426 3.021 20 10 DGCDHM O=C(Nc1nnc(-c2ccccc2)s1)c1cc([O-])cs1 ZINC000731867842 574561380 /nfs/dbraw/zinc/56/13/80/574561380.db2.gz YEUDOQNDRQYOBD-UHFFFAOYSA-N -1 3 303.368 3.225 20 10 DGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc([O-])cs1 ZINC000732261807 574569269 /nfs/dbraw/zinc/56/92/69/574569269.db2.gz OLUVWVGDHRDXMO-UHFFFAOYSA-N -1 3 304.415 3.182 20 10 DGCDHM COc1ccccc1CN(C(=O)c1cc([O-])cs1)C1CC1 ZINC000732274254 574569847 /nfs/dbraw/zinc/56/98/47/574569847.db2.gz PLBFDDDUUSQCGC-UHFFFAOYSA-N -1 3 303.383 3.267 20 10 DGCDHM O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000732276934 574570212 /nfs/dbraw/zinc/57/02/12/574570212.db2.gz WYWGROKRXWWGLC-ZFWWWQNUSA-N -1 3 321.373 3.243 20 10 DGCDHM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000735522776 574704710 /nfs/dbraw/zinc/70/47/10/574704710.db2.gz YKWGWMVYYNKZRQ-HNNXBMFYSA-N -1 3 316.426 3.497 20 10 DGCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000739498681 574905064 /nfs/dbraw/zinc/90/50/64/574905064.db2.gz COGXTZCMMVEOPB-INIZCTEOSA-N -1 3 317.772 3.190 20 10 DGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)Oc1ccccc1Cl ZINC000743717341 575062258 /nfs/dbraw/zinc/06/22/58/575062258.db2.gz AVEODYRHGXIGHI-SECBINFHSA-N -1 3 311.790 3.304 20 10 DGCDHM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc([O-])cs1 ZINC000747522741 575522696 /nfs/dbraw/zinc/52/26/96/575522696.db2.gz RPVLVJGLTWLVFE-UHFFFAOYSA-N -1 3 308.428 3.061 20 10 DGCDHM CCO[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C12CCCCC2 ZINC000748339398 575581470 /nfs/dbraw/zinc/58/14/70/575581470.db2.gz NKVDHRUSEKSYFL-ZIAGYGMSSA-N -1 3 309.431 3.311 20 10 DGCDHM O=C(Nc1cccc(Oc2cccnn2)c1)c1cc([O-])cs1 ZINC000748350568 575582464 /nfs/dbraw/zinc/58/24/64/575582464.db2.gz NDAHBJSHLLLZOL-UHFFFAOYSA-N -1 3 313.338 3.288 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H](CO)c1ccsc1 ZINC000770668163 620890893 /nfs/dbraw/zinc/89/08/93/620890893.db2.gz KLLNJAWBLGKZHS-LBPRGKRZSA-N -1 3 301.770 3.069 20 10 DGCDHM COc1cc(CN(C)Cc2cc(F)cc(F)c2[O-])ccc1O ZINC000893918337 618676201 /nfs/dbraw/zinc/67/62/01/618676201.db2.gz ATINBTMTPJMOIQ-UHFFFAOYSA-N -1 3 309.312 3.017 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCn2nc(C3CC3)cc2C1 ZINC000896939167 618989758 /nfs/dbraw/zinc/98/97/58/618989758.db2.gz AHTQNPAYCKMZLI-UHFFFAOYSA-N -1 3 303.793 3.135 20 10 DGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c(C2CC2)n1 ZINC000928705546 619058868 /nfs/dbraw/zinc/05/88/68/619058868.db2.gz JPHDSHWGTMXAQM-UHFFFAOYSA-N -1 3 300.333 3.042 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCCc2occc21 ZINC000914151916 620508846 /nfs/dbraw/zinc/50/88/46/620508846.db2.gz PSBUFYJKPSYCKP-CYBMUJFWSA-N -1 3 304.321 3.001 20 10 DGCDHM C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC000914245994 620515073 /nfs/dbraw/zinc/51/50/73/620515073.db2.gz RKZIVNDCDYSTPZ-PWSUYJOCSA-N -1 3 318.348 3.247 20 10 DGCDHM Cn1nc(C2CC2)cc1CNCc1c([O-])ccc(Cl)c1F ZINC000922947876 621135651 /nfs/dbraw/zinc/13/56/51/621135651.db2.gz LJFKOGNKLINWHW-UHFFFAOYSA-N -1 3 309.772 3.085 20 10 DGCDHM C[C@@H]1C[C@H](NCc2c([O-])cccc2Br)c2nccn21 ZINC000858172488 621161150 /nfs/dbraw/zinc/16/11/50/621161150.db2.gz WGBROZUXFMPELF-SKDRFNHKSA-N -1 3 322.206 3.147 20 10 DGCDHM C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccns1 ZINC000858317485 621175231 /nfs/dbraw/zinc/17/52/31/621175231.db2.gz PZQNCDMWHSXNAT-SSDOTTSWSA-N -1 3 313.766 3.261 20 10 DGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)C1CCC(F)CC1 ZINC000923321352 621175840 /nfs/dbraw/zinc/17/58/40/621175840.db2.gz LNHARKFYDDWITH-VOMCLLRMSA-N -1 3 312.360 3.247 20 10 DGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)C1CCC(F)CC1 ZINC000923321350 621175898 /nfs/dbraw/zinc/17/58/98/621175898.db2.gz LNHARKFYDDWITH-UNXYVOJBSA-N -1 3 312.360 3.247 20 10 DGCDHM CC(C)(C)C(F)(F)CNC(=O)NCc1c([O-])cccc1F ZINC000923342475 621177982 /nfs/dbraw/zinc/17/79/82/621177982.db2.gz OUKKIJCXXITSFW-UHFFFAOYSA-N -1 3 304.312 3.012 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CC(C(F)F)C2)c1 ZINC000839141503 621340273 /nfs/dbraw/zinc/34/02/73/621340273.db2.gz RAXXMTJNXAAHBF-UHFFFAOYSA-N -1 3 306.150 3.160 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(F)cc2F)c1 ZINC000756494481 621641981 /nfs/dbraw/zinc/64/19/81/621641981.db2.gz FKSRZVJERYWICG-JTQLQIEISA-N -1 3 321.323 3.308 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2nc(C)cs2)c1 ZINC000756533763 621645978 /nfs/dbraw/zinc/64/59/78/621645978.db2.gz IBQFUOSITGUTAB-WDEREUQCSA-N -1 3 320.414 3.356 20 10 DGCDHM C[C@H](NCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756549903 621647223 /nfs/dbraw/zinc/64/72/23/621647223.db2.gz PLBPSKPYHNABCR-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM CCc1nc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])cs1 ZINC000756556965 621648442 /nfs/dbraw/zinc/64/84/42/621648442.db2.gz YPJLKKDNNBHVBJ-SNVBAGLBSA-N -1 3 320.414 3.049 20 10 DGCDHM COc1ccc(C)cc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756672828 621657903 /nfs/dbraw/zinc/65/79/03/621657903.db2.gz TXKBCHUAICCSIJ-GFCCVEGCSA-N -1 3 316.357 3.468 20 10 DGCDHM C[C@H](N[C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711859 621659984 /nfs/dbraw/zinc/65/99/84/621659984.db2.gz MUBOJBPTUODVBV-BJOHPYRUSA-N -1 3 311.303 3.194 20 10 DGCDHM C[C@H](NCc1nc2cc(F)ccc2n1C)c1ccc(F)cc1[O-] ZINC000756733668 621661286 /nfs/dbraw/zinc/66/12/86/621661286.db2.gz RSGUKANVUXRQPP-JTQLQIEISA-N -1 3 317.339 3.408 20 10 DGCDHM CC(C)c1nnc([C@@H](C)N[C@H](C)c2cc(F)cc(F)c2[O-])[nH]1 ZINC000756777652 621663780 /nfs/dbraw/zinc/66/37/80/621663780.db2.gz KFFGFZZOLVJOFM-RKDXNWHRSA-N -1 3 310.348 3.324 20 10 DGCDHM C[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1cncc(F)c1 ZINC000757638771 621730450 /nfs/dbraw/zinc/73/04/50/621730450.db2.gz NKKVNQYWZALQSM-UWVGGRQHSA-N -1 3 305.309 3.246 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2OCO3)c1 ZINC000757659862 621732160 /nfs/dbraw/zinc/73/21/60/621732160.db2.gz SNGSNICTRREWHZ-JTQLQIEISA-N -1 3 315.325 3.081 20 10 DGCDHM CC(C)(C)CC(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768252726 622447628 /nfs/dbraw/zinc/44/76/28/622447628.db2.gz NMEVOUOJPZWZTM-UHFFFAOYSA-N -1 3 324.852 3.126 20 10 DGCDHM CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000769326824 622518076 /nfs/dbraw/zinc/51/80/76/622518076.db2.gz PHMRGRIYPBNINL-ZDUSSCGKSA-N -1 3 311.809 3.352 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C(F)(F)F)O1 ZINC000769495441 622533923 /nfs/dbraw/zinc/53/39/23/622533923.db2.gz FTMWOYNESIEADB-PELKAZGASA-N -1 3 309.715 3.197 20 10 DGCDHM COc1c([O-])c(CN2CC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774813901 623194622 /nfs/dbraw/zinc/19/46/22/623194622.db2.gz IOHVYTRLWSKVFV-AWEZNQCLSA-N -1 3 314.341 3.256 20 10 DGCDHM COc1c([O-])c(CNc2ccc(C)cc2F)ccc1[N+](=O)[O-] ZINC000774927600 623208884 /nfs/dbraw/zinc/20/88/84/623208884.db2.gz HZICXJKXWKPYQZ-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1F ZINC000775098053 623230844 /nfs/dbraw/zinc/23/08/44/623230844.db2.gz QADPWXSCXSWFFT-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM COc1c(Cl)cc(Cl)cc1C=C1SC(=O)[N-]C1=O ZINC000874929006 623393414 /nfs/dbraw/zinc/39/34/14/623393414.db2.gz ZLEWUGHWDMPQLC-FPYGCLRLSA-N -1 3 304.154 3.326 20 10 DGCDHM Cc1ccc(C2=CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000790486247 625660707 /nfs/dbraw/zinc/66/07/07/625660707.db2.gz SSHSPZBFKMJLTE-UHFFFAOYSA-N -1 3 309.365 3.336 20 10 DGCDHM CC(C)C[C@H](NCc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000779156389 623736604 /nfs/dbraw/zinc/73/66/04/623736604.db2.gz NJLJXHAPUIXAKI-AWEZNQCLSA-N -1 3 311.397 3.377 20 10 DGCDHM CC[C@H](C)c1nc([C@@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877475119 623899304 /nfs/dbraw/zinc/89/93/04/623899304.db2.gz MBJWBIMVHKMFAO-DTWKUNHWSA-N -1 3 310.348 3.153 20 10 DGCDHM Cc1ccc(C(=O)Nc2ncc(C(C)(C)C)s2)c([O-])c1O ZINC000780953221 624002736 /nfs/dbraw/zinc/00/27/36/624002736.db2.gz TTWUEHAJNZUEEX-UHFFFAOYSA-N -1 3 306.387 3.413 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)c([O-])c1O ZINC000780958241 624003700 /nfs/dbraw/zinc/00/37/00/624003700.db2.gz CPLJHKWESAKWCV-UHFFFAOYSA-N -1 3 315.373 3.429 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1c(F)cccc1Cl ZINC000790857815 625709342 /nfs/dbraw/zinc/70/93/42/625709342.db2.gz QTMPFQBFZFUTIY-MRVPVSSYSA-N -1 3 309.724 3.381 20 10 DGCDHM CN(C)C(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000127261661 624332631 /nfs/dbraw/zinc/33/26/31/624332631.db2.gz XEGGQUGDILCVIX-UHFFFAOYSA-N -1 3 304.777 3.360 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccnc2)c1[O-] ZINC000805746601 624357901 /nfs/dbraw/zinc/35/79/01/624357901.db2.gz CCMNHHIICUMWSU-KRWDZBQOSA-N -1 3 314.360 3.466 20 10 DGCDHM O=C(Nc1cnc(-c2ccccc2)s1)c1cccc(O)c1[O-] ZINC000790911115 625715010 /nfs/dbraw/zinc/71/50/10/625715010.db2.gz LIKYIEIPXAQEJA-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000783852939 624400751 /nfs/dbraw/zinc/40/07/51/624400751.db2.gz YGELKWWMBRQPME-GJZGRUSLSA-N -1 3 311.381 3.239 20 10 DGCDHM CCOC(=O)[C@H](CC)N(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000787438561 625010613 /nfs/dbraw/zinc/01/06/13/625010613.db2.gz BWXBRKRXIRMOIP-AWEZNQCLSA-N -1 3 311.809 3.352 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2ncc[nH]2)CC1 ZINC000792164499 625916969 /nfs/dbraw/zinc/91/69/69/625916969.db2.gz JFVLFMUMWUAEHL-UHFFFAOYSA-N -1 3 309.772 3.287 20 10 DGCDHM COc1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1O ZINC000792237423 625929916 /nfs/dbraw/zinc/92/99/16/625929916.db2.gz CZVPEGFZLYMAHU-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cnn2ccccc12 ZINC000796480510 626054736 /nfs/dbraw/zinc/05/47/36/626054736.db2.gz MGKZUEKOWRBZDI-UHFFFAOYSA-N -1 3 305.740 3.122 20 10 DGCDHM CC[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1[O-] ZINC000796860692 626090934 /nfs/dbraw/zinc/09/09/34/626090934.db2.gz XPLZWVJXXMHERI-ZDUSSCGKSA-N -1 3 316.332 3.425 20 10 DGCDHM COCCc1ccnc(N[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000797046609 626107845 /nfs/dbraw/zinc/10/78/45/626107845.db2.gz XSSHSZDGDPIBBF-SNVBAGLBSA-N -1 3 308.328 3.427 20 10 DGCDHM CC[C@@H](NC1(c2ncccn2)CCC1)c1ccc(F)cc1[O-] ZINC000883311514 626642378 /nfs/dbraw/zinc/64/23/78/626642378.db2.gz CGIFJZXFZGTPKP-CQSZACIVSA-N -1 3 301.365 3.441 20 10 DGCDHM CN(Cc1nncn1C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000808214740 626806178 /nfs/dbraw/zinc/80/61/78/626806178.db2.gz SRBRNNAFQOLTHE-UHFFFAOYSA-N -1 3 322.368 3.052 20 10 DGCDHM [O-]c1ccccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000134235723 626865614 /nfs/dbraw/zinc/86/56/14/626865614.db2.gz RIDYOFGFEZLWHI-UHFFFAOYSA-N -1 3 308.175 3.150 20 10 DGCDHM C[C@H](O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827264 627103833 /nfs/dbraw/zinc/10/38/33/627103833.db2.gz XHGLWRRKEDDJNA-UWVGGRQHSA-N -1 3 304.217 3.292 20 10 DGCDHM C[C@@H](NCc1cccnc1N1CCCC1)c1c([O-])cccc1F ZINC000886636716 627177716 /nfs/dbraw/zinc/17/77/16/627177716.db2.gz SXWXZQXPEYRIFG-CYBMUJFWSA-N -1 3 315.392 3.377 20 10 DGCDHM Cc1cnn([C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)c1 ZINC000811520352 627286909 /nfs/dbraw/zinc/28/69/09/627286909.db2.gz NMPQOGPQWKFPME-ZDUSSCGKSA-N -1 3 309.772 3.137 20 10 DGCDHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000813523012 627496019 /nfs/dbraw/zinc/49/60/19/627496019.db2.gz CILJYNPPQVIGMM-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1C[C@H](CO)Cc2ccccc21 ZINC000814169940 627545704 /nfs/dbraw/zinc/54/57/04/627545704.db2.gz PSWPSUAVZMHJLR-GFCCVEGCSA-N -1 3 303.789 3.217 20 10 DGCDHM NC(=O)Nc1cc(NCc2c([O-])cccc2Cl)ccc1F ZINC000814301415 627557927 /nfs/dbraw/zinc/55/79/27/627557927.db2.gz ZCZRIXYVMYTQLG-UHFFFAOYSA-N -1 3 309.728 3.287 20 10 DGCDHM [O-]c1c(CN2CCn3c(nnc3C3CC3)C2)ccc2ccccc21 ZINC000816506937 627798703 /nfs/dbraw/zinc/79/87/03/627798703.db2.gz QTRJOSLFWQJHIL-UHFFFAOYSA-N -1 3 320.396 3.030 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](CO)c1cccc(F)c1 ZINC000816550311 627805995 /nfs/dbraw/zinc/80/59/95/627805995.db2.gz NVQUHSWSMPIMQA-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](CO)c1ccsc1 ZINC000816571321 627810332 /nfs/dbraw/zinc/81/03/32/627810332.db2.gz ZPUHTFRSADZHIR-GFCCVEGCSA-N -1 3 301.770 3.069 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(c2ccc(F)cc2)CCC1 ZINC000928709602 628180094 /nfs/dbraw/zinc/18/00/94/628180094.db2.gz JXMGQVFLSJFOPL-UHFFFAOYSA-N -1 3 317.335 3.409 20 10 DGCDHM COc1ccc2c(c1)N(C(=O)c1cccc(O)c1[O-])CCCC2 ZINC000819741772 628185123 /nfs/dbraw/zinc/18/51/23/628185123.db2.gz GHZLPLSWOIQNMX-UHFFFAOYSA-N -1 3 313.353 3.090 20 10 DGCDHM CCc1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000840945258 630381849 /nfs/dbraw/zinc/38/18/49/630381849.db2.gz GPMUEIWPZQTOTC-UHFFFAOYSA-N -1 3 312.200 3.341 20 10 DGCDHM C[C@@H]1[C@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978976 630390538 /nfs/dbraw/zinc/39/05/38/630390538.db2.gz QRIZFIGPTGFYMB-ZJUUUORDSA-N -1 3 304.217 3.292 20 10 DGCDHM COc1c(C)cccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848560031 631692797 /nfs/dbraw/zinc/69/27/97/631692797.db2.gz JFYXAJLBRYGPJC-LBPRGKRZSA-N -1 3 316.357 3.468 20 10 DGCDHM CC(C)(C)OC(=O)CN(Cc1cc(F)ccc1[O-])C1CCC1 ZINC000848927607 631790768 /nfs/dbraw/zinc/79/07/68/631790768.db2.gz JAVYAZWGVDLCPS-UHFFFAOYSA-N -1 3 309.381 3.228 20 10 DGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1c([O-])cccc1Br ZINC000707146666 660893665 /nfs/dbraw/zinc/89/36/65/660893665.db2.gz QDPJWOLCPRYMHV-WDEREUQCSA-N -1 3 314.223 3.154 20 10 DGCDHM C[C@@H]1N(Cc2ccc(Br)cc2[O-])CCOC1(C)C ZINC000708321353 660920296 /nfs/dbraw/zinc/92/02/96/660920296.db2.gz SAEJMIFMEKXSCH-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM CC(C)[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000709029838 660923491 /nfs/dbraw/zinc/92/34/91/660923491.db2.gz ORYJBMSINZOKEE-AWEZNQCLSA-N -1 3 314.223 3.012 20 10 DGCDHM CC(C)[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000708999828 660923690 /nfs/dbraw/zinc/92/36/90/660923690.db2.gz HWLHVMYWXBENJM-CQSZACIVSA-N -1 3 314.223 3.012 20 10 DGCDHM CON(C[C@H]1CCC[C@@H](C)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000794326125 661078880 /nfs/dbraw/zinc/07/88/80/661078880.db2.gz FYTUPRWDIYSACZ-YPMHNXCESA-N -1 3 307.390 3.236 20 10 DGCDHM COc1ccc(CNC(=O)c2ccc(C(C)C)cc2[O-])c(O)c1 ZINC000794388586 661082503 /nfs/dbraw/zinc/08/25/03/661082503.db2.gz YGDOXLLKBCRHJT-UHFFFAOYSA-N -1 3 315.369 3.160 20 10 DGCDHM O=C(N[C@@H]1CC[C@H](c2cccc(F)c2)C1)c1cccc(O)c1[O-] ZINC000794279790 661076090 /nfs/dbraw/zinc/07/60/90/661076090.db2.gz KIIJSFBJMXFVPZ-GXTWGEPZSA-N -1 3 315.344 3.303 20 10 DGCDHM COCCS(=O)(=O)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000255780158 655906437 /nfs/dbraw/zinc/90/64/37/655906437.db2.gz YOCSXAFMHUMKEW-UHFFFAOYSA-N -1 3 319.386 3.490 20 10 DGCDHM O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(O)c1[O-] ZINC000184770664 656425490 /nfs/dbraw/zinc/42/54/90/656425490.db2.gz CZWWVKLFGJXTTH-UHFFFAOYSA-N -1 3 313.231 3.249 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc3ncsc3c2)c([O-])c1O ZINC000182011444 660030416 /nfs/dbraw/zinc/03/04/16/660030416.db2.gz ABHKUHJJDBUIPY-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nc(C)cs2)c1[O-] ZINC000184218292 660159313 /nfs/dbraw/zinc/15/93/13/660159313.db2.gz FMPHQFFURTZPMY-SECBINFHSA-N -1 3 308.378 3.350 20 10 DGCDHM C[C@H](Nc1ccc(OC2COC2)cc1)c1ccc(F)cc1[O-] ZINC000188656177 661938762 /nfs/dbraw/zinc/93/87/62/661938762.db2.gz DSDGLTSFDREAKZ-NSHDSACASA-N -1 3 303.333 3.482 20 10 DGCDHM CN(C)c1ccc(CN2CCc3c(cccc3C(=O)[O-])C2)cc1 ZINC000391352510 685211038 /nfs/dbraw/zinc/21/10/38/685211038.db2.gz FTIWCDCDPUJCOX-UHFFFAOYSA-N -1 3 310.397 3.009 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@@H](CC)O1 ZINC000398443521 685237524 /nfs/dbraw/zinc/23/75/24/685237524.db2.gz PVVYLNYPHWBXCQ-HUUCEWRRSA-N -1 3 309.381 3.123 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](F)C[C@H]2C(F)(F)F)c1[O-] ZINC001620677341 1192061936 /nfs/dbraw/zinc/06/19/36/1192061936.db2.gz OKQFOCNDFLRXCD-JQWIXIFHSA-N -1 3 323.261 3.209 20 10 DGCDHM CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC001586495770 1192333935 /nfs/dbraw/zinc/33/39/35/1192333935.db2.gz UZSKFSNTPCVAQP-UHFFFAOYSA-N -1 3 305.305 3.278 20 10 DGCDHM Clc1cnc(SCc2ccccc2-c2nnn[n-]2)s1 ZINC001592539491 1192616456 /nfs/dbraw/zinc/61/64/56/1192616456.db2.gz ZQIHUJAFRWZOGG-UHFFFAOYSA-N -1 3 309.807 3.269 20 10 DGCDHM Clc1cnc(SCc2ccccc2-c2nn[n-]n2)s1 ZINC001592539491 1192616458 /nfs/dbraw/zinc/61/64/58/1192616458.db2.gz ZQIHUJAFRWZOGG-UHFFFAOYSA-N -1 3 309.807 3.269 20 10 DGCDHM Cc1cccc([O-])c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC001597856804 1192751774 /nfs/dbraw/zinc/75/17/74/1192751774.db2.gz YZIJMIBLLISFKR-UHFFFAOYSA-N -1 3 310.397 3.013 20 10 DGCDHM Cc1ccc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)c(Cl)n1 ZINC001600419181 1192849507 /nfs/dbraw/zinc/84/95/07/1192849507.db2.gz LODOIYPHZMIKJZ-JTQLQIEISA-N -1 3 320.776 3.298 20 10 DGCDHM Cc1ccc(C[NH2+][C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001600419872 1192850466 /nfs/dbraw/zinc/85/04/66/1192850466.db2.gz QLTGRVVSDVALJB-WMLDXEAASA-N -1 3 313.397 3.122 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC001334343244 1178751439 /nfs/dbraw/zinc/75/14/39/1178751439.db2.gz VJSWAMGNBYTLLQ-OAHLLOKOSA-N -1 3 323.339 3.445 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cnn(Cc2cccnc2)c1 ZINC001341867403 1179073433 /nfs/dbraw/zinc/07/34/33/1179073433.db2.gz DSLMIVMZMWSPPK-UHFFFAOYSA-N -1 3 314.776 3.298 20 10 DGCDHM C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326291 1193065475 /nfs/dbraw/zinc/06/54/75/1193065475.db2.gz GNKJTAZBQXQKSU-MLGOLLRUSA-N -1 3 311.381 3.299 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc2scnc21 ZINC001456027107 1182393801 /nfs/dbraw/zinc/39/38/01/1182393801.db2.gz CSHBNMOENSKKCW-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(s1)CCCC2 ZINC001456102813 1182398037 /nfs/dbraw/zinc/39/80/37/1182398037.db2.gz UUWRRDDLGDWJOR-UHFFFAOYSA-N -1 3 305.374 3.402 20 10 DGCDHM CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001607391352 1193226886 /nfs/dbraw/zinc/22/68/86/1193226886.db2.gz JZJDYAGZVOEHSL-WCFLWFBJSA-N -1 3 309.431 3.415 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc2cccc(O)c21 ZINC001471975648 1183604404 /nfs/dbraw/zinc/60/44/04/1183604404.db2.gz BJHGATWCXJMIDV-UHFFFAOYSA-N -1 3 311.312 3.320 20 10 DGCDHM Cc1cccc(CSCC(=O)NCc2c([O-])cccc2F)c1 ZINC001471974746 1183604504 /nfs/dbraw/zinc/60/45/04/1183604504.db2.gz INKSGQMDYPHFLG-UHFFFAOYSA-N -1 3 319.401 3.389 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC001607656258 1193246115 /nfs/dbraw/zinc/24/61/15/1193246115.db2.gz VENDQLOVKYZSHF-CZUORRHYSA-N -1 3 311.809 3.477 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])c1[O-] ZINC001607656253 1193246348 /nfs/dbraw/zinc/24/63/48/1193246348.db2.gz VENDQLOVKYZSHF-BBRMVZONSA-N -1 3 311.809 3.477 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc(-n2cccn2)c1 ZINC001474384870 1183913255 /nfs/dbraw/zinc/91/32/55/1183913255.db2.gz SFQKTEJEPFFKNE-UHFFFAOYSA-N -1 3 301.296 3.468 20 10 DGCDHM COc1ccc(NCc2ccc(Cl)cc2[O-])cc1NC(N)=O ZINC001474489949 1183929782 /nfs/dbraw/zinc/92/97/82/1183929782.db2.gz NEMWIOILPCZAGZ-UHFFFAOYSA-N -1 3 321.764 3.157 20 10 DGCDHM O=C(NCCCCc1ccccc1)NCc1c([O-])cccc1F ZINC001477369790 1184085904 /nfs/dbraw/zinc/08/59/04/1184085904.db2.gz RRKHGJFIGPRBLP-UHFFFAOYSA-N -1 3 316.376 3.353 20 10 DGCDHM CCC(CC)[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N(C)C ZINC001609916447 1193364601 /nfs/dbraw/zinc/36/46/01/1193364601.db2.gz AGAGKIWBMQLYJT-BLLLJJGKSA-N -1 3 322.449 3.107 20 10 DGCDHM COCc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001610272423 1193380870 /nfs/dbraw/zinc/38/08/70/1193380870.db2.gz OWUNKQQZHOABPL-LBPRGKRZSA-N -1 3 315.369 3.088 20 10 DGCDHM COc1cc(C(=O)NCc2c([O-])cccc2F)ccc1Cl ZINC001558454723 1189126104 /nfs/dbraw/zinc/12/61/04/1189126104.db2.gz LCKARXXVCUKNEE-UHFFFAOYSA-N -1 3 309.724 3.123 20 10 DGCDHM O=C(/C=C/SCc1ccco1)NCc1c([O-])cccc1F ZINC001558455150 1189126497 /nfs/dbraw/zinc/12/64/97/1189126497.db2.gz QKSWBGKPFMOBTE-SOFGYWHQSA-N -1 3 307.346 3.188 20 10 DGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H](C(F)(F)F)O1 ZINC001560632891 1189352502 /nfs/dbraw/zinc/35/25/02/1189352502.db2.gz ZNSJXJVSZICILL-QPUJVOFHSA-N -1 3 309.715 3.197 20 10 DGCDHM CNC(=O)N(C)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001560987106 1189415499 /nfs/dbraw/zinc/41/54/99/1189415499.db2.gz QZQIIGVRLHTLDR-UHFFFAOYSA-N -1 3 321.327 3.058 20 10 DGCDHM Cc1nn(C)c2cc(NCc3cc(F)c(F)cc3[O-])ccc12 ZINC001621349123 1193831518 /nfs/dbraw/zinc/83/15/18/1193831518.db2.gz XSZPCOMXVUVFNG-UHFFFAOYSA-N -1 3 303.312 3.478 20 10 DGCDHM CC(C)Oc1cc(C(N)=O)ccc1NCc1cccc(F)c1[O-] ZINC001621396256 1193837499 /nfs/dbraw/zinc/83/74/99/1193837499.db2.gz BFLRFKBPKPYVSI-UHFFFAOYSA-N -1 3 318.348 3.030 20 10 DGCDHM Cc1cc(CC(=O)[N-]OCC2CCC2)c(C)n1-c1ccccc1 ZINC001629832637 1194254575 /nfs/dbraw/zinc/25/45/75/1194254575.db2.gz HWBIGZYVOHKZGZ-UHFFFAOYSA-N -1 3 312.413 3.485 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(O)c2ccccc2c1 ZINC001638862830 1194741483 /nfs/dbraw/zinc/74/14/83/1194741483.db2.gz DUJGZBTZSGCTIZ-UHFFFAOYSA-N -1 3 311.312 3.320 20 10 DGCDHM O=C(c1cc(NCc2ccc(Cl)cc2[O-])c[nH]1)N1CCCC1 ZINC001652146532 1195553384 /nfs/dbraw/zinc/55/33/84/1195553384.db2.gz QHCNAIPBZAUKEF-UHFFFAOYSA-N -1 3 319.792 3.222 20 10 DGCDHM O=C(CCc1ccc(F)cc1F)NCc1c([O-])cccc1F ZINC001652297912 1195577107 /nfs/dbraw/zinc/57/71/07/1195577107.db2.gz AXAXOAWQRFGCKQ-UHFFFAOYSA-N -1 3 309.287 3.059 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1sccc1C(F)F ZINC001652298418 1195577227 /nfs/dbraw/zinc/57/72/27/1195577227.db2.gz KMWYSMXCTCQKJL-UHFFFAOYSA-N -1 3 301.289 3.460 20 10 DGCDHM O=C(CCSc1ccccc1)NCc1c([O-])cccc1F ZINC001652295224 1195577288 /nfs/dbraw/zinc/57/72/88/1195577288.db2.gz DCAKMRPSLPZTPL-UHFFFAOYSA-N -1 3 305.374 3.330 20 10 DGCDHM CN(C)c1ccc2c(c1)OCCN2Cc1cc(F)c(F)cc1[O-] ZINC001657677287 1196168725 /nfs/dbraw/zinc/16/87/25/1196168725.db2.gz FMCDLKQMEQVYLH-UHFFFAOYSA-N -1 3 320.339 3.135 20 10 DGCDHM COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001657860225 1196186777 /nfs/dbraw/zinc/18/67/77/1196186777.db2.gz NIQLDBJPQURTRI-QMTHXVAHSA-N -1 3 311.809 3.128 20 10 DGCDHM CCCN(Cc1cc(F)cc(F)c1[O-])[C@H](CC)C(=O)OCC ZINC001658849501 1196309359 /nfs/dbraw/zinc/30/93/59/1196309359.db2.gz ZAMSPIJRFXLVTP-CQSZACIVSA-N -1 3 315.360 3.224 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC001659847633 1196421069 /nfs/dbraw/zinc/42/10/69/1196421069.db2.gz KVLUWCAQOIIXBU-HNNXBMFYSA-N -1 3 323.314 3.463 20 10 DGCDHM CN(C)c1ccccc1CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001659916830 1196428860 /nfs/dbraw/zinc/42/88/60/1196428860.db2.gz SJACFAGMRCEIIT-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM CN1c2ccccc2N(Cc2cc(F)c(F)cc2[O-])CCC1=O ZINC001659937412 1196430349 /nfs/dbraw/zinc/43/03/49/1196430349.db2.gz GAOVJQBEVSBXHD-UHFFFAOYSA-N -1 3 318.323 3.044 20 10 DGCDHM C[C@@H]1CCCN(Cc2cccc(F)c2[O-])[C@@H]1C(=O)OC(C)(C)C ZINC001660080417 1196442937 /nfs/dbraw/zinc/44/29/37/1196442937.db2.gz GCQCTUKCFXFJKT-DOMZBBRYSA-N -1 3 323.408 3.474 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@@H](CO)c1cccc(F)c1 ZINC001661421272 1196604179 /nfs/dbraw/zinc/60/41/79/1196604179.db2.gz YKGJPLKPEJTBRQ-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM C[C@@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001665493633 1197144149 /nfs/dbraw/zinc/14/41/49/1197144149.db2.gz HVMKZVQUTZREGJ-LBPRGKRZSA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)cccc1[N+](=O)[O-] ZINC001673047488 1197635900 /nfs/dbraw/zinc/63/59/00/1197635900.db2.gz YWAKWKKRDCGKOT-UHFFFAOYSA-N -1 3 319.292 3.070 20 10 DGCDHM CCOc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000321985437 970833946 /nfs/dbraw/zinc/83/39/46/970833946.db2.gz DCCICAMHJCDZBC-CQSZACIVSA-N -1 3 321.417 3.114 20 10 DGCDHM CCOc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1[O-] ZINC000321985437 970833953 /nfs/dbraw/zinc/83/39/53/970833953.db2.gz DCCICAMHJCDZBC-CQSZACIVSA-N -1 3 321.417 3.114 20 10 DGCDHM CC[C@@]([NH2+]Cc1cc(F)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595299334 980426744 /nfs/dbraw/zinc/42/67/44/980426744.db2.gz PVRRJGRGAKCSDW-KRWDZBQOSA-N -1 3 303.333 3.011 20 10 DGCDHM CN1CCCc2cc(CNCc3csc(C(=O)[O-])c3)ccc21 ZINC001598603414 993601192 /nfs/dbraw/zinc/60/11/92/993601192.db2.gz ILDWFOMVQYQVJD-UHFFFAOYSA-N -1 3 316.426 3.119 20 10 DGCDHM C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252042 994501399 /nfs/dbraw/zinc/50/13/99/994501399.db2.gz MNLSEOIZVSQRDQ-DGCLKSJQSA-N -1 3 321.442 3.274 20 10 DGCDHM C[C@H]([NH2+]CCc1c(F)cccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593272756 994613679 /nfs/dbraw/zinc/61/36/79/994613679.db2.gz BBWHFEDCMPOCFQ-JTQLQIEISA-N -1 3 321.323 3.262 20 10 DGCDHM C[C@@H](NCc1ccc(F)cc1F)c1cc(C(=O)[O-])ccc1O ZINC001593299297 994720979 /nfs/dbraw/zinc/72/09/79/994720979.db2.gz RBWOSPULSOGHFX-SECBINFHSA-N -1 3 307.296 3.219 20 10 DGCDHM COc1cc(C)cc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599392696 997066909 /nfs/dbraw/zinc/06/69/09/997066909.db2.gz SKORFMURTNYGDQ-GFCCVEGCSA-N -1 3 315.369 3.258 20 10 DGCDHM CC[C@@H]1COCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237682354 1090317053 /nfs/dbraw/zinc/31/70/53/1090317053.db2.gz RCZMIYHMDPBGDG-GFCCVEGCSA-N -1 3 314.223 3.074 20 10 DGCDHM CCC1(NC(=O)OC(C)(C)C)CN(Cc2cc(F)ccc2[O-])C1 ZINC001140060282 1081778022 /nfs/dbraw/zinc/77/80/22/1081778022.db2.gz TUBRBVWDMPFSPQ-UHFFFAOYSA-N -1 3 324.396 3.020 20 10 DGCDHM C[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])Cc2ccccc2O1 ZINC001182129658 1083626175 /nfs/dbraw/zinc/62/61/75/1083626175.db2.gz ZBLWVLSOVNIMBD-LLVKDONJSA-N -1 3 305.324 3.454 20 10 DGCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC001185835971 1084536031 /nfs/dbraw/zinc/53/60/31/1084536031.db2.gz AAWAMOWDDPUJRJ-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM C[C@H]1C[C@@H](CF)N(Cc2cc(Br)ccc2[O-])C1 ZINC001203635916 1084630947 /nfs/dbraw/zinc/63/09/47/1084630947.db2.gz LCGSADCOVBQNLC-CABZTGNLSA-N -1 3 302.187 3.335 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000698222300 1087547340 /nfs/dbraw/zinc/54/73/40/1087547340.db2.gz SNQLVUSFBNFLNV-SECBINFHSA-N -1 3 309.715 3.199 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000698222303 1087547379 /nfs/dbraw/zinc/54/73/79/1087547379.db2.gz SNQLVUSFBNFLNV-VIFPVBQESA-N -1 3 309.715 3.199 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267104 1087588649 /nfs/dbraw/zinc/58/86/49/1087588649.db2.gz WJGINZJBLOHJAD-KGLIPLIRSA-N -1 3 305.752 3.326 20 10 DGCDHM CC(C)COc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001156170002 1089416177 /nfs/dbraw/zinc/41/61/77/1089416177.db2.gz BHWXZXYAIOMMSJ-UHFFFAOYSA-N -1 3 317.360 3.496 20 10 DGCDHM Cc1ccnc2ccc(C(=O)NCc3c([O-])cccc3F)cc12 ZINC001156171191 1089416736 /nfs/dbraw/zinc/41/67/36/1089416736.db2.gz XNNRZPSGLNIRBB-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC001156177502 1089421077 /nfs/dbraw/zinc/42/10/77/1089421077.db2.gz IQMMXBCRAMOWJE-NWDGAFQWSA-N -1 3 321.298 3.229 20 10 DGCDHM COc1cncnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157724704 1090088121 /nfs/dbraw/zinc/08/81/21/1090088121.db2.gz UDOSRDNAVOHDDF-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC2(COC2)C1 ZINC001203574536 1090759705 /nfs/dbraw/zinc/75/97/05/1090759705.db2.gz ZWHNIWNLBDOKQV-UHFFFAOYSA-N -1 3 302.201 3.311 20 10 DGCDHM C[C@@]1(F)CCN(Cc2cc(Br)ccc2[O-])C[C@H]1F ZINC001203636603 1090771248 /nfs/dbraw/zinc/77/12/48/1090771248.db2.gz YFYPSVCFFSSSLG-CHWSQXEVSA-N -1 3 320.177 3.427 20 10 DGCDHM Cc1nc(Cl)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001204503104 1090984870 /nfs/dbraw/zinc/98/48/70/1090984870.db2.gz AYJYVINUXDNETD-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM Cc1cc([O-])c(CN[C@@H](C)C(=O)OC2CCCC2)cc1Cl ZINC001205471642 1091228921 /nfs/dbraw/zinc/22/89/21/1091228921.db2.gz PBEQUCQOWBRGEQ-NSHDSACASA-N -1 3 311.809 3.318 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(C1)CC(F)(F)C2 ZINC001139126722 1091456976 /nfs/dbraw/zinc/45/69/76/1091456976.db2.gz NZDUSJZGJIQHRM-UHFFFAOYSA-N -1 3 321.323 3.038 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC(Oc2ccccc2F)C1 ZINC001140341445 1091835870 /nfs/dbraw/zinc/83/58/70/1091835870.db2.gz OFABATFHXRPQHF-UHFFFAOYSA-N -1 3 307.752 3.448 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CC(Oc2ccccc2F)C1 ZINC001140464879 1091875499 /nfs/dbraw/zinc/87/54/99/1091875499.db2.gz DRONKPPSGQAQDD-UHFFFAOYSA-N -1 3 307.752 3.448 20 10 DGCDHM Cc1cccc(O[C@@H]2CCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585377 1091921331 /nfs/dbraw/zinc/92/13/31/1091921331.db2.gz HKGDHQXLZSIRCH-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM NC(=O)N=Nc1ccc(C(=O)Nc2c([O-])cccc2Cl)cc1 ZINC001298550800 1092071825 /nfs/dbraw/zinc/07/18/25/1092071825.db2.gz NWWMWMSCAGLEFN-UHFFFAOYSA-N -1 3 318.720 3.460 20 10 DGCDHM O=C(Nc1cscc1Br)c1cccc(O)c1[O-] ZINC001298586352 1092076216 /nfs/dbraw/zinc/07/62/16/1092076216.db2.gz UXQJVYFLMSDRRV-UHFFFAOYSA-N -1 3 314.160 3.174 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](OCc2ccccc2)C1 ZINC001142520947 1092494214 /nfs/dbraw/zinc/49/42/14/1092494214.db2.gz RUUCSZYMQCLGSQ-OAHLLOKOSA-N -1 3 319.351 3.462 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001142521005 1092494714 /nfs/dbraw/zinc/49/47/14/1092494714.db2.gz UHYWIFROIRHQFJ-AWEZNQCLSA-N -1 3 323.314 3.463 20 10 DGCDHM COc1ccc(NC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001215125214 1093922522 /nfs/dbraw/zinc/92/25/22/1093922522.db2.gz ISJSWNICFHIQCY-UHFFFAOYSA-N -1 3 304.321 3.170 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001215143807 1093925966 /nfs/dbraw/zinc/92/59/66/1093925966.db2.gz UBSYTAQZMXEXHD-UHFFFAOYSA-N -1 3 308.215 3.232 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001215145845 1093926847 /nfs/dbraw/zinc/92/68/47/1093926847.db2.gz MLSHCUNPQMZVES-UHFFFAOYSA-N -1 3 323.230 3.229 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001215145971 1093926911 /nfs/dbraw/zinc/92/69/11/1093926911.db2.gz VDEUUUAFYJYKMH-UHFFFAOYSA-N -1 3 320.251 3.416 20 10 DGCDHM Cc1ccc(Cl)cc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325512 1093960415 /nfs/dbraw/zinc/96/04/15/1093960415.db2.gz XEIXHZHKLCBCFF-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc4ccccc4n3)no2)cc1O ZINC001215328417 1093961678 /nfs/dbraw/zinc/96/16/78/1093961678.db2.gz CCRJDBISPAKCMK-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM CC(C)c1cc([N-]S(=O)(=O)c2ccc(F)cc2N)ccc1O ZINC001215848300 1094073151 /nfs/dbraw/zinc/07/31/51/1094073151.db2.gz ABRXNFWQACZJRN-UHFFFAOYSA-N -1 3 324.377 3.038 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc(C(C)(C)C)cs1 ZINC000187077704 1094446291 /nfs/dbraw/zinc/44/62/91/1094446291.db2.gz TXFZVVPOIRIYFC-VIFPVBQESA-N -1 3 320.414 3.343 20 10 DGCDHM O=C(NCCc1cccc(Cl)c1)NCc1c([O-])cccc1F ZINC001221150573 1095206750 /nfs/dbraw/zinc/20/67/50/1095206750.db2.gz DVCHJBDFRZKBOL-UHFFFAOYSA-N -1 3 322.767 3.227 20 10 DGCDHM Cc1ccc(C(=O)N(C)c2cccc3c2CCCN3)c([O-])c1O ZINC001338984444 1095457466 /nfs/dbraw/zinc/45/74/66/1095457466.db2.gz PWEAYUMMHBCAOS-UHFFFAOYSA-N -1 3 312.369 3.041 20 10 DGCDHM O=C(Nc1ccn(C2CCCCC2)n1)c1cccc(O)c1[O-] ZINC001339175024 1095526665 /nfs/dbraw/zinc/52/66/65/1095526665.db2.gz HHEVIKWUISXRIT-UHFFFAOYSA-N -1 3 301.346 3.052 20 10 DGCDHM Cc1cccc(N2CCN(Cc3c([O-])cccc3F)CC2)c1C ZINC001137838997 1095758188 /nfs/dbraw/zinc/75/81/88/1095758188.db2.gz NENJFPVVBAVDKD-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM COc1cc2c(cc1OC)CN(Cc1c([O-])cccc1F)CC2 ZINC001137837519 1095761217 /nfs/dbraw/zinc/76/12/17/1095761217.db2.gz KCGLRZOGLBSPIF-UHFFFAOYSA-N -1 3 317.360 3.107 20 10 DGCDHM CCc1nc(NC(=O)NCc2c([O-])cccc2F)sc1C ZINC001119764401 1096257151 /nfs/dbraw/zinc/25/71/51/1096257151.db2.gz VXVYUUGVMGWGFJ-UHFFFAOYSA-N -1 3 309.366 3.180 20 10 DGCDHM Cc1nc2c(F)cccc2cc1NC(=O)c1cccc(O)c1[O-] ZINC001148212262 1096327927 /nfs/dbraw/zinc/32/79/27/1096327927.db2.gz UOKIXVDKZBWEPH-UHFFFAOYSA-N -1 3 312.300 3.346 20 10 DGCDHM O=C(NCCc1ccccc1Cl)NCc1c([O-])cccc1F ZINC001225169309 1096357503 /nfs/dbraw/zinc/35/75/03/1096357503.db2.gz MGBDWBLCZJZRKG-UHFFFAOYSA-N -1 3 322.767 3.227 20 10 DGCDHM CC(C)[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccc(F)cc1 ZINC001148589568 1096408463 /nfs/dbraw/zinc/40/84/63/1096408463.db2.gz CDWKBFCJZZRQKI-HNNXBMFYSA-N -1 3 319.332 3.070 20 10 DGCDHM CC[C@@H](C)C1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148590310 1096408636 /nfs/dbraw/zinc/40/86/36/1096408636.db2.gz HJUNBFDIQJNZGM-XSRFYTQQSA-N -1 3 307.390 3.138 20 10 DGCDHM CC(C)[C@@](C)(Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001171557306 1096922799 /nfs/dbraw/zinc/92/27/99/1096922799.db2.gz OZNVRNAUNLFAKK-LJQANCHMSA-N -1 3 313.397 3.485 20 10 DGCDHM CCO[C@@H](C)COc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227940817 1097017309 /nfs/dbraw/zinc/01/73/09/1097017309.db2.gz OQEKSNIHRJZZOP-LBPRGKRZSA-N -1 3 316.353 3.133 20 10 DGCDHM CC[N@H+](Cc1cccc(F)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455442 1097753993 /nfs/dbraw/zinc/75/39/93/1097753993.db2.gz NWJDPGHIEQVDLB-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455442 1097753995 /nfs/dbraw/zinc/75/39/95/1097753995.db2.gz NWJDPGHIEQVDLB-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001231565407 1097780651 /nfs/dbraw/zinc/78/06/51/1097780651.db2.gz VBRIUGRAOXLRAW-HNNXBMFYSA-N -1 3 311.381 3.155 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001231565407 1097780656 /nfs/dbraw/zinc/78/06/56/1097780656.db2.gz VBRIUGRAOXLRAW-HNNXBMFYSA-N -1 3 311.381 3.155 20 10 DGCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])CCN1C1CCCC1 ZINC001231882190 1097879293 /nfs/dbraw/zinc/87/92/93/1097879293.db2.gz MSHLZWLJVYOLCM-UHFFFAOYSA-N -1 3 324.424 3.132 20 10 DGCDHM C[C@H]1C(=O)CCN(Cc2cc(Cl)c([O-])cc2O)C12CCCC2 ZINC001232266489 1097986827 /nfs/dbraw/zinc/98/68/27/1097986827.db2.gz VDUOJQTYMQHVDN-NSHDSACASA-N -1 3 323.820 3.475 20 10 DGCDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2C)cc1Br ZINC001233135606 1098234928 /nfs/dbraw/zinc/23/49/28/1098234928.db2.gz WOIQMZUBRODDSB-SCZZXKLOSA-N -1 3 318.186 3.096 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC[C@@H](Oc2cccnc2)C1 ZINC001233334897 1098291469 /nfs/dbraw/zinc/29/14/69/1098291469.db2.gz YOIMFNGVVTYKOA-CYBMUJFWSA-N -1 3 320.339 3.109 20 10 DGCDHM Cc1ccc(O[C@@H]2CCN(Cc3c([O-])ccc(F)c3F)C2)nc1 ZINC001233336477 1098294435 /nfs/dbraw/zinc/29/44/35/1098294435.db2.gz NGCLPKDEIVARRF-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM O=C(c1ccccc1)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336463 1098294730 /nfs/dbraw/zinc/29/47/30/1098294730.db2.gz MIQOLVQMXDHABI-ZDUSSCGKSA-N -1 3 317.335 3.375 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCOC[C@H]1C1CCCCC1 ZINC001233336691 1098294820 /nfs/dbraw/zinc/29/48/20/1098294820.db2.gz VVCKFARQEOGICB-HNNXBMFYSA-N -1 3 311.372 3.452 20 10 DGCDHM [O-]c1c(CN2CC[C@@H]3CCO[C@H]3C2)cccc1C(F)(F)F ZINC001233416472 1098322867 /nfs/dbraw/zinc/32/28/67/1098322867.db2.gz JOHPSZXMSVYMQO-MFKMUULPSA-N -1 3 301.308 3.022 20 10 DGCDHM CC(C)Cc1nc(C(=O)NCc2c([O-])cccc2F)cs1 ZINC001178412887 1098828605 /nfs/dbraw/zinc/82/86/05/1098828605.db2.gz JIDNWQVLTGUEQW-UHFFFAOYSA-N -1 3 308.378 3.116 20 10 DGCDHM Cc1ccc(C[C@H](C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412860 1098829261 /nfs/dbraw/zinc/82/92/61/1098829261.db2.gz IOAVQTYIEOTDES-ZDUSSCGKSA-N -1 3 301.361 3.335 20 10 DGCDHM CNc1ccc(Cl)c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001178412849 1098829318 /nfs/dbraw/zinc/82/93/18/1098829318.db2.gz IGSDPNKKKURGRO-UHFFFAOYSA-N -1 3 308.740 3.156 20 10 DGCDHM C[C@H](NCc1cc(F)cc(F)c1[O-])c1c(F)cncc1F ZINC001178688955 1098909642 /nfs/dbraw/zinc/90/96/42/1098909642.db2.gz PJCPIWCUDVZIDR-ZETCQYMHSA-N -1 3 300.255 3.194 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](CF)C1 ZINC001235303326 1098951468 /nfs/dbraw/zinc/95/14/68/1098951468.db2.gz MZWLTQATXUZSQN-SECBINFHSA-N -1 3 320.177 3.475 20 10 DGCDHM Nc1ccc2c(c1)CCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001236110042 1099398860 /nfs/dbraw/zinc/39/88/60/1099398860.db2.gz XRARYGZJVAJDEH-UHFFFAOYSA-N -1 3 306.768 3.325 20 10 DGCDHM Nc1ccc2c(c1)CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001236233803 1099488671 /nfs/dbraw/zinc/48/86/71/1099488671.db2.gz KNSZESLFLGZZQW-UHFFFAOYSA-N -1 3 306.768 3.325 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCc2cnc(C3CC3)nc2C1 ZINC001203665598 1099567422 /nfs/dbraw/zinc/56/74/22/1099567422.db2.gz OUNGWYPSIZQYTF-UHFFFAOYSA-N -1 3 315.804 3.271 20 10 DGCDHM [O-]c1cccc(F)c1CNc1ncc(Br)cc1F ZINC001187678084 1099572187 /nfs/dbraw/zinc/57/21/87/1099572187.db2.gz TYNARHCIAAYFTD-UHFFFAOYSA-N -1 3 315.117 3.440 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@](F)(CO)CC1 ZINC001236793404 1099786761 /nfs/dbraw/zinc/78/67/61/1099786761.db2.gz KLOLJZJAVKXIGG-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(C1)CCOCC2 ZINC001236796487 1099789732 /nfs/dbraw/zinc/78/97/32/1099789732.db2.gz PKYRZPPCRFEDST-UHFFFAOYSA-N -1 3 302.201 3.311 20 10 DGCDHM COc1cc([O-])c(CN2CCc3nc(C)sc3C2)c(Cl)c1 ZINC001236802894 1099797183 /nfs/dbraw/zinc/79/71/83/1099797183.db2.gz LCOVTQMJAYEYQG-UHFFFAOYSA-N -1 3 324.833 3.377 20 10 DGCDHM COc1ccc(CN2CC[C@@H](C(F)(F)F)C2)c([O-])c1Cl ZINC001236812583 1099802999 /nfs/dbraw/zinc/80/29/99/1099802999.db2.gz ZOMAMBGPIHWOLV-SECBINFHSA-N -1 3 309.715 3.438 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@H](CCO)C1 ZINC001237080783 1099959430 /nfs/dbraw/zinc/95/94/30/1099959430.db2.gz FNRMCLVJXJALHN-JTQLQIEISA-N -1 3 304.217 3.293 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@H](Oc2ccccn2)C1 ZINC001237131029 1099987030 /nfs/dbraw/zinc/98/70/30/1099987030.db2.gz SKDITILZKRMWJK-NSHDSACASA-N -1 3 322.767 3.233 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001237621088 1100190411 /nfs/dbraw/zinc/19/04/11/1100190411.db2.gz TZVOBSQKBJVROY-CQSZACIVSA-N -1 3 322.767 3.233 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC001237800835 1100251376 /nfs/dbraw/zinc/25/13/76/1100251376.db2.gz BYAGSSVTCIMFAE-CQSZACIVSA-N -1 3 322.767 3.233 20 10 DGCDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c(C)c1 ZINC001251496933 1105664120 /nfs/dbraw/zinc/66/41/20/1105664120.db2.gz SAAZZKBATFGACR-UHFFFAOYSA-N -1 3 318.442 3.479 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1F ZINC001259480340 1107146534 /nfs/dbraw/zinc/14/65/34/1107146534.db2.gz BCXLAVDGFIGYFX-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM CCOC(=O)C[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1F ZINC001321863030 1107451146 /nfs/dbraw/zinc/45/11/46/1107451146.db2.gz HKEKNXYNVNDGAP-JTQLQIEISA-N -1 3 315.772 3.102 20 10 DGCDHM C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1c([O-])cccc1F ZINC001303875249 1111156488 /nfs/dbraw/zinc/15/64/88/1111156488.db2.gz DFKHRWUEDIROHU-JTQLQIEISA-N -1 3 323.751 3.268 20 10 DGCDHM CC(C)(C)c1ccc(C(=O)NCc2c([O-])cccc2F)nc1 ZINC001303876017 1111156505 /nfs/dbraw/zinc/15/65/05/1111156505.db2.gz SUBDRQQYYDRSBS-UHFFFAOYSA-N -1 3 302.349 3.154 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc(-n2ccnc2)c1 ZINC001308635908 1111454232 /nfs/dbraw/zinc/45/42/32/1111454232.db2.gz QFVFMLNECMWXTF-UHFFFAOYSA-N -1 3 301.296 3.468 20 10 DGCDHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c([O-])c1O ZINC000272738119 130058310 /nfs/dbraw/zinc/05/83/10/130058310.db2.gz LNTIELOVHPMAKW-CYBMUJFWSA-N -1 3 319.401 3.018 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(Cl)nc2)c1 ZINC000273435603 130120288 /nfs/dbraw/zinc/12/02/88/130120288.db2.gz WVMQXAIFLNPQFK-JTQLQIEISA-N -1 3 320.776 3.078 20 10 DGCDHM COc1ccc(CN[C@H](C)c2ccc(F)cc2[O-])c(OC)c1 ZINC000273441883 130121554 /nfs/dbraw/zinc/12/15/54/130121554.db2.gz YVKZCOOFOYYZIO-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(SC)cn2)c1 ZINC000273446593 130122439 /nfs/dbraw/zinc/12/24/39/130122439.db2.gz FEHFYCQMFBDXOM-JTQLQIEISA-N -1 3 318.398 3.469 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)CCO3)c1 ZINC000273547808 130135557 /nfs/dbraw/zinc/13/55/57/130135557.db2.gz ZQZFEVKSVQXDEQ-NSHDSACASA-N -1 3 313.353 3.287 20 10 DGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2c(F)cncc2F)c1[O-] ZINC000285899233 131208767 /nfs/dbraw/zinc/20/87/67/131208767.db2.gz ZRCNSKVGIFCLGU-QMMMGPOBSA-N -1 3 324.302 3.258 20 10 DGCDHM CCNC(=O)[C@@H](C)N[C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286887805 131254603 /nfs/dbraw/zinc/25/46/03/131254603.db2.gz ISNOPZHSIWHQAA-PELKAZGASA-N -1 3 319.232 3.264 20 10 DGCDHM C[C@@H]1CCN(C(=O)/C=C\c2cncs2)c2c([O-])cccc21 ZINC000493633196 287508577 /nfs/dbraw/zinc/50/85/77/287508577.db2.gz WUGONQKMYOEDRX-ISALQUGTSA-N -1 3 300.383 3.402 20 10 DGCDHM C[C@@](O)(CNCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000270478140 432249863 /nfs/dbraw/zinc/24/98/63/432249863.db2.gz IXLABJLYTCXTNO-SNVBAGLBSA-N -1 3 318.122 3.102 20 10 DGCDHM CC[C@H](NCC(=O)NC(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287700178 288035709 /nfs/dbraw/zinc/03/57/09/288035709.db2.gz NOSBDRWKQSRQGJ-LBPRGKRZSA-N -1 3 319.232 3.264 20 10 DGCDHM CC[C@H](N[C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314420 288090013 /nfs/dbraw/zinc/09/00/13/288090013.db2.gz DAZQVOGYGKCYFH-KBPBESRZSA-N -1 3 310.825 3.096 20 10 DGCDHM CN(CC(=O)N1CCC[C@H]2CCCC[C@@H]21)Cc1ccccc1[O-] ZINC000109770131 431179586 /nfs/dbraw/zinc/17/95/86/431179586.db2.gz XHNCOTVHSFCCDD-WBVHZDCISA-N -1 3 316.445 3.005 20 10 DGCDHM COCCOc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000113321395 431342535 /nfs/dbraw/zinc/34/25/35/431342535.db2.gz PZFOQEOSKAFOOE-UHFFFAOYSA-N -1 3 321.804 3.361 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCc1ccc(N2CCCC2)nc1 ZINC000113320220 431343052 /nfs/dbraw/zinc/34/30/52/431343052.db2.gz NCDZIGLQCOQCSG-UHFFFAOYSA-N -1 3 317.820 3.331 20 10 DGCDHM CCN(Cc1ccncc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000271051862 432322399 /nfs/dbraw/zinc/32/23/99/432322399.db2.gz XQSVYCNCGGNWSS-UHFFFAOYSA-N -1 3 302.349 3.151 20 10 DGCDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1n1ccnc1 ZINC000248892526 432326852 /nfs/dbraw/zinc/32/68/52/432326852.db2.gz SJPKRNAHUGEQES-BXUZGUMPSA-N -1 3 323.799 3.464 20 10 DGCDHM C[C@H](NCc1nnc2n1CCCCC2)c1cc(Cl)ccc1[O-] ZINC000184877586 432441590 /nfs/dbraw/zinc/44/15/90/432441590.db2.gz XZVZJPXSDJLOFQ-NSHDSACASA-N -1 3 320.824 3.214 20 10 DGCDHM [O-]c1ccccc1CN(Cc1cscn1)C[C@H]1CCCO1 ZINC000176799407 432553613 /nfs/dbraw/zinc/55/36/13/432553613.db2.gz NUJUXTXEAMFPTN-OAHLLOKOSA-N -1 3 304.415 3.030 20 10 DGCDHM C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000273465860 432602244 /nfs/dbraw/zinc/60/22/44/432602244.db2.gz IUJOVISOBYFWLL-XPTSAGLGSA-N -1 3 311.303 3.194 20 10 DGCDHM CCCOc1ccc(CN[C@H](COC)c2ccco2)c([O-])c1 ZINC000177576964 432637880 /nfs/dbraw/zinc/63/78/80/432637880.db2.gz AHQVBQZAONWBBE-OAHLLOKOSA-N -1 3 305.374 3.251 20 10 DGCDHM Cc1ncc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000264585178 432661058 /nfs/dbraw/zinc/66/10/58/432661058.db2.gz DTTIDWNSFKMESH-HNNXBMFYSA-N -1 3 318.442 3.338 20 10 DGCDHM CC(C)c1nc([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000276851334 432827195 /nfs/dbraw/zinc/82/71/95/432827195.db2.gz BCRCNFGYIYTVNG-IUCAKERBSA-N -1 3 310.348 3.324 20 10 DGCDHM CC(C)C[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277394725 432845364 /nfs/dbraw/zinc/84/53/64/432845364.db2.gz NSZKUZLAEOBAMF-LLVKDONJSA-N -1 3 324.808 3.244 20 10 DGCDHM C[C@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1[O-] ZINC000296617253 432924255 /nfs/dbraw/zinc/92/42/55/432924255.db2.gz WQNXWJONJBMBLC-QMMMGPOBSA-N -1 3 315.270 3.191 20 10 DGCDHM CC(C)(C)OCc1cc(CN[C@@H]2CCc3cccc([O-])c32)no1 ZINC000296383268 432902799 /nfs/dbraw/zinc/90/27/99/432902799.db2.gz JHVGVMXJKAKOAW-OAHLLOKOSA-N -1 3 316.401 3.472 20 10 DGCDHM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000185697298 292705444 /nfs/dbraw/zinc/70/54/44/292705444.db2.gz NEWDXYJUZQZZTK-KBPBESRZSA-N -1 3 311.381 3.424 20 10 DGCDHM CC[C@@H](NCc1cnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000375800454 433572070 /nfs/dbraw/zinc/57/20/70/433572070.db2.gz AQWCZNDXIJJFSY-OAHLLOKOSA-N -1 3 303.381 3.305 20 10 DGCDHM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000362333880 433652534 /nfs/dbraw/zinc/65/25/34/433652534.db2.gz FFBDZULLTLXYRG-HNNXBMFYSA-N -1 3 305.809 3.425 20 10 DGCDHM CCc1nc([C@H]2CCCCN2Cc2cc(F)ccc2[O-])no1 ZINC000376167896 433683368 /nfs/dbraw/zinc/68/33/68/433683368.db2.gz UMIFWNZQQIYUDE-CYBMUJFWSA-N -1 3 305.353 3.204 20 10 DGCDHM CCc1cnc(CNCc2cc(Cl)c(F)cc2[O-])s1 ZINC000293688089 433828645 /nfs/dbraw/zinc/82/86/45/433828645.db2.gz SAHISIQFMDSVDQ-UHFFFAOYSA-N -1 3 300.786 3.493 20 10 DGCDHM COCc1nc(CNCc2cc(Cl)c(F)cc2[O-])cs1 ZINC000293975443 433950027 /nfs/dbraw/zinc/95/00/27/433950027.db2.gz QXJSVSLCQOQKCR-UHFFFAOYSA-N -1 3 316.785 3.077 20 10 DGCDHM CS[C@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000295036205 434164639 /nfs/dbraw/zinc/16/46/39/434164639.db2.gz MCJJCDWEZIRYBJ-NSHDSACASA-N -1 3 302.237 3.092 20 10 DGCDHM Cc1cnn([C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)c1 ZINC000365623125 434304881 /nfs/dbraw/zinc/30/48/81/434304881.db2.gz PSVBGVWCNWDFGR-NSHDSACASA-N -1 3 309.772 3.137 20 10 DGCDHM Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(O)c1[O-])CC3 ZINC000369628878 434599919 /nfs/dbraw/zinc/59/99/19/434599919.db2.gz HBZSZZMNNLKGMV-UHFFFAOYSA-N -1 3 322.364 3.086 20 10 DGCDHM CC[C@@H](N[C@@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997620 435018537 /nfs/dbraw/zinc/01/85/37/435018537.db2.gz JBWYABWKRBQIJK-GDBMZVCRSA-N -1 3 314.360 3.135 20 10 DGCDHM COCCC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000529638670 435038707 /nfs/dbraw/zinc/03/87/07/435038707.db2.gz UWJXCXIPLJUNET-UHFFFAOYSA-N -1 3 301.789 3.433 20 10 DGCDHM COc1cc(Cl)cc(CN[C@@H](C)c2ncccc2F)c1[O-] ZINC000529688084 313254557 /nfs/dbraw/zinc/25/45/57/313254557.db2.gz HUXZWUWNQJQSAH-VIFPVBQESA-N -1 3 310.756 3.439 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCCN(c2ccccn2)CC1 ZINC000184805214 337200254 /nfs/dbraw/zinc/20/02/54/337200254.db2.gz BNKVQYWRKAAAJY-UHFFFAOYSA-N -1 3 317.820 3.153 20 10 DGCDHM CC[C@@H](N[C@H]1Cc2ccccc2NC1=O)c1ccc(F)cc1[O-] ZINC000527997626 337778895 /nfs/dbraw/zinc/77/88/95/337778895.db2.gz JBWYABWKRBQIJK-ZBFHGGJFSA-N -1 3 314.360 3.135 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2ccccn2)c1[O-] ZINC000181789519 518278914 /nfs/dbraw/zinc/27/89/14/518278914.db2.gz HCLOICKHWGZWEN-SNVBAGLBSA-N -1 3 304.777 3.494 20 10 DGCDHM CC(C)C(=O)NC[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000124143272 519503687 /nfs/dbraw/zinc/50/36/87/519503687.db2.gz QRJPEWHIRRRBFX-ZDUSSCGKSA-N -1 3 324.852 3.030 20 10 DGCDHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C ZINC000266480867 521800127 /nfs/dbraw/zinc/80/01/27/521800127.db2.gz SYFXAYOVRATRBF-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000189435079 523830009 /nfs/dbraw/zinc/83/00/09/523830009.db2.gz IUDUQXYDFKQVNS-UHFFFAOYSA-N -1 3 305.399 3.372 20 10 DGCDHM [O-]c1ccccc1CN(Cc1cncs1)C[C@H]1CCCO1 ZINC000160174024 526372747 /nfs/dbraw/zinc/37/27/47/526372747.db2.gz MXDMLBOYRGMWKD-CQSZACIVSA-N -1 3 304.415 3.030 20 10 DGCDHM COCCOc1ccccc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000273381783 536732021 /nfs/dbraw/zinc/73/20/21/536732021.db2.gz IHKBMPPIRMZUPU-ZDUSSCGKSA-N -1 3 319.376 3.407 20 10 DGCDHM Cc1cnc(CNCc2cccc(Br)c2[O-])s1 ZINC000230686670 546274835 /nfs/dbraw/zinc/27/48/35/546274835.db2.gz KFIHXSFJXPSACZ-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM O=C(NCc1cc(Br)cs1)c1cc([O-])cs1 ZINC000731872132 574560553 /nfs/dbraw/zinc/56/05/53/574560553.db2.gz WYAXVVDAHLPPFJ-UHFFFAOYSA-N -1 3 318.217 3.208 20 10 DGCDHM O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc([O-])cs1 ZINC000731871553 574560572 /nfs/dbraw/zinc/56/05/72/574560572.db2.gz IGCAJJYFJICZKV-CQSZACIVSA-N -1 3 319.382 3.264 20 10 DGCDHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc([O-])cs1 ZINC000732267772 574569466 /nfs/dbraw/zinc/56/94/66/574569466.db2.gz VHTNIWCWFBYFSK-CQSZACIVSA-N -1 3 319.382 3.264 20 10 DGCDHM COc1cccc(C[C@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000732274677 574569883 /nfs/dbraw/zinc/56/98/83/574569883.db2.gz LZKHUPQPSQMUME-CYBMUJFWSA-N -1 3 317.410 3.310 20 10 DGCDHM CCCC(=O)Nc1ccc(CNC(=O)c2cc([O-])cs2)cc1 ZINC000732272097 574569910 /nfs/dbraw/zinc/56/99/10/574569910.db2.gz GZTOABXYGPTVJY-UHFFFAOYSA-N -1 3 318.398 3.122 20 10 DGCDHM CC(C)COc1ccccc1CNC(=O)c1cc([O-])cs1 ZINC000732276930 574570121 /nfs/dbraw/zinc/57/01/21/574570121.db2.gz WYKKYNLNWVKNIE-UHFFFAOYSA-N -1 3 305.399 3.419 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)c1cccnc1)c1cc([O-])cs1 ZINC000732286337 574570768 /nfs/dbraw/zinc/57/07/68/574570768.db2.gz RAEYOPIMMDQMAC-INIZCTEOSA-N -1 3 310.378 3.368 20 10 DGCDHM CCCOc1ccc(OCCOC(=O)c2cc([O-])cs2)cc1 ZINC000732353442 574572129 /nfs/dbraw/zinc/57/21/29/574572129.db2.gz PABKRTUAFKKZSX-UHFFFAOYSA-N -1 3 322.382 3.478 20 10 DGCDHM Cc1ccc(F)cc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732353704 574572259 /nfs/dbraw/zinc/57/22/59/574572259.db2.gz LDNFTLQPBYVUNE-SECBINFHSA-N -1 3 323.345 3.085 20 10 DGCDHM Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)c1C ZINC000732353998 574572380 /nfs/dbraw/zinc/57/23/80/574572380.db2.gz MSQQTUDUNHOCDV-NSHDSACASA-N -1 3 319.382 3.255 20 10 DGCDHM CCNC(=O)c1cccc(CNCc2c([O-])cccc2Cl)c1 ZINC000733325135 574615730 /nfs/dbraw/zinc/61/57/30/574615730.db2.gz ZYPHJVCBJGMDNX-UHFFFAOYSA-N -1 3 318.804 3.085 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CNCc1c([O-])cccc1Cl ZINC000733327170 574616223 /nfs/dbraw/zinc/61/62/23/574616223.db2.gz OAHLXHCFHDJEAA-UHFFFAOYSA-N -1 3 322.748 3.252 20 10 DGCDHM CCO[C@@H](C)c1nc(COC(=O)c2cc([O-])cs2)cs1 ZINC000736824415 574808017 /nfs/dbraw/zinc/80/80/17/574808017.db2.gz JCQCNNCUPIIDDD-QMMMGPOBSA-N -1 3 313.400 3.365 20 10 DGCDHM COc1ccccc1[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000738554719 574873047 /nfs/dbraw/zinc/87/30/47/574873047.db2.gz IOYXPFDMZJDMDZ-NSHDSACASA-N -1 3 303.383 3.092 20 10 DGCDHM COc1ccc([C@H](C)CCNC(=O)c2cc([O-])cs2)cc1 ZINC000743628495 575059175 /nfs/dbraw/zinc/05/91/75/575059175.db2.gz ROEFNBYEDPSJDC-LLVKDONJSA-N -1 3 305.399 3.386 20 10 DGCDHM CCc1ccc([O-])c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000729277639 575231692 /nfs/dbraw/zinc/23/16/92/575231692.db2.gz GKLZEJFEAWOUQF-LLVKDONJSA-N -1 3 315.369 3.160 20 10 DGCDHM CC[C@H](CNC(=O)c1cc([O-])cs1)Oc1ccccc1F ZINC000748859360 575611985 /nfs/dbraw/zinc/61/19/85/575611985.db2.gz KEEISKZNQNAWDI-LLVKDONJSA-N -1 3 309.362 3.180 20 10 DGCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC000749545582 575664390 /nfs/dbraw/zinc/66/43/90/575664390.db2.gz PAPKKMIRRSJVHR-GFCCVEGCSA-N -1 3 306.343 3.243 20 10 DGCDHM Cc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)c([O-])c1O ZINC000751538600 575789925 /nfs/dbraw/zinc/78/99/25/575789925.db2.gz SNBWOYSJADWJSC-UHFFFAOYSA-N -1 3 309.724 3.129 20 10 DGCDHM O=C(OCc1nc(C(F)(F)F)cs1)c1cc([O-])cs1 ZINC000751716672 575798699 /nfs/dbraw/zinc/79/86/99/575798699.db2.gz XOHUTIKJKYBQHP-UHFFFAOYSA-N -1 3 309.290 3.286 20 10 DGCDHM Cc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)c([O-])c1O ZINC000751530554 576206559 /nfs/dbraw/zinc/20/65/59/576206559.db2.gz NQTFDPLWQTYLQX-UHFFFAOYSA-N -1 3 311.790 3.393 20 10 DGCDHM CCC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccn1 ZINC000916788663 620645837 /nfs/dbraw/zinc/64/58/37/620645837.db2.gz YPINMGFVQTUTJA-OAHLLOKOSA-N -1 3 317.364 3.267 20 10 DGCDHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)Cc1cccs1 ZINC000920444136 620800951 /nfs/dbraw/zinc/80/09/51/620800951.db2.gz WLLSJIMOKFFLRF-LLVKDONJSA-N -1 3 322.405 3.271 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000894793796 618462359 /nfs/dbraw/zinc/46/23/59/618462359.db2.gz IWQQSMGBEFODSE-GOEBONIOSA-N -1 3 309.356 3.204 20 10 DGCDHM CS[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894881254 618486181 /nfs/dbraw/zinc/48/61/81/618486181.db2.gz UUHUACSHTXIOPN-JTQLQIEISA-N -1 3 320.227 3.231 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1CC(C(F)(F)F)C1 ZINC000894890229 618488648 /nfs/dbraw/zinc/48/86/48/618488648.db2.gz FIGGJYKHGGBYDA-UHFFFAOYSA-N -1 3 310.113 3.149 20 10 DGCDHM Cc1ccc(CN(CCO)Cc2c([O-])cc(C)cc2Cl)o1 ZINC000840940884 618613652 /nfs/dbraw/zinc/61/36/52/618613652.db2.gz JCWHUFDLPYZZNS-UHFFFAOYSA-N -1 3 309.793 3.250 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 ZINC000840948962 618620882 /nfs/dbraw/zinc/62/08/82/618620882.db2.gz KEESNJOCOFMNKF-IRXDYDNUSA-N -1 3 307.821 3.497 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H](c1ncccn1)C1CC1 ZINC000896600400 618933116 /nfs/dbraw/zinc/93/31/16/618933116.db2.gz WZROJKUFRPXFFO-CQSZACIVSA-N -1 3 307.756 3.216 20 10 DGCDHM CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c([O-])c1 ZINC000898219473 619222914 /nfs/dbraw/zinc/22/29/14/619222914.db2.gz HMAPRNBBVKYKLF-UHFFFAOYSA-N -1 3 307.777 3.440 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCSC2(CCC2)C1 ZINC000927285617 619523885 /nfs/dbraw/zinc/52/38/85/619523885.db2.gz KJELPCHYYOPFGR-NSHDSACASA-N -1 3 324.421 3.149 20 10 DGCDHM [O-]c1cccc(F)c1CNC(=S)NCCCCC(F)(F)F ZINC000905662134 620014903 /nfs/dbraw/zinc/01/49/03/620014903.db2.gz SLJXFAHHXPJVPZ-UHFFFAOYSA-N -1 3 324.343 3.228 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](c1ccccc1)C1CC1 ZINC000913972936 620497177 /nfs/dbraw/zinc/49/71/77/620497177.db2.gz FDXLHKFCVOHOSI-KRWDZBQOSA-N -1 3 314.360 3.482 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H](CO)c1ccsc1 ZINC000770668162 620891002 /nfs/dbraw/zinc/89/10/02/620891002.db2.gz KLLNJAWBLGKZHS-GFCCVEGCSA-N -1 3 301.770 3.069 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1F)CC1CC1 ZINC000855882075 620945947 /nfs/dbraw/zinc/94/59/47/620945947.db2.gz KCWSFBLLRSTTBR-UHFFFAOYSA-N -1 3 315.344 3.289 20 10 DGCDHM Cc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])nc1C ZINC000840783594 621198994 /nfs/dbraw/zinc/19/89/94/621198994.db2.gz LJLRQZUZLBZWCF-LBPRGKRZSA-N -1 3 301.346 3.163 20 10 DGCDHM Cc1cc(CN(C)Cc2c([O-])cccc2Br)no1 ZINC000862222771 621563535 /nfs/dbraw/zinc/56/35/35/621563535.db2.gz BCZIBAWZURFYHL-UHFFFAOYSA-N -1 3 311.179 3.083 20 10 DGCDHM C[C@@]1(F)CCCN(Cc2c([O-])cccc2Br)C1 ZINC000862382115 621582466 /nfs/dbraw/zinc/58/24/66/621582466.db2.gz PYPSTIQGXTUMHW-CYBMUJFWSA-N -1 3 302.187 3.479 20 10 DGCDHM Cc1ccc2nc(CN[C@H](C)c3cc(F)cc(F)c3[O-])cn2c1 ZINC000756532886 621645355 /nfs/dbraw/zinc/64/53/55/621645355.db2.gz GUOYPHADIGWSAS-LLVKDONJSA-N -1 3 317.339 3.477 20 10 DGCDHM CC(C)n1cc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575913 621650573 /nfs/dbraw/zinc/65/05/73/621650573.db2.gz RFCAOSBVUTYNAW-NEPJUHHUSA-N -1 3 318.377 3.490 20 10 DGCDHM C[C@@H](NCc1csc(N(C)C)n1)c1cc(F)cc(F)c1[O-] ZINC000756635680 621654488 /nfs/dbraw/zinc/65/44/88/621654488.db2.gz GYZXBXKMCSMTEI-MRVPVSSYSA-N -1 3 313.373 3.044 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000756795248 621665179 /nfs/dbraw/zinc/66/51/79/621665179.db2.gz JZHANXSZFRGRNS-SNVBAGLBSA-N -1 3 315.325 3.081 20 10 DGCDHM Cn1nc(CNCc2c([O-])cccc2Cl)c2ccccc21 ZINC000759189611 621834090 /nfs/dbraw/zinc/83/40/90/621834090.db2.gz BRTYVECLGKSHGP-UHFFFAOYSA-N -1 3 301.777 3.222 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccc(-n2cncn2)c(F)c1 ZINC000120446351 621879833 /nfs/dbraw/zinc/87/98/33/621879833.db2.gz CYFCCXDLFTXXBN-UHFFFAOYSA-N -1 3 318.739 3.378 20 10 DGCDHM Cn1nc(CNCc2cc(Cl)cc(F)c2[O-])c2ccccc21 ZINC000761224996 621995526 /nfs/dbraw/zinc/99/55/26/621995526.db2.gz DVQJDZQGABBXHE-UHFFFAOYSA-N -1 3 319.767 3.361 20 10 DGCDHM C[C@@](O)(C1CCN(Cc2cccc(F)c2[O-])CC1)C(F)(F)F ZINC000768531667 622462332 /nfs/dbraw/zinc/46/23/32/622462332.db2.gz HRWKTKKIJSGNQT-CQSZACIVSA-N -1 3 321.314 3.057 20 10 DGCDHM C[C@@H](NCc1ccn(C)n1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774264798 623126561 /nfs/dbraw/zinc/12/65/61/623126561.db2.gz BUNILVWKRDGFJA-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000776347261 623414918 /nfs/dbraw/zinc/41/49/18/623414918.db2.gz AGBFWNDORVVNDK-HNNXBMFYSA-N -1 3 317.360 3.234 20 10 DGCDHM O=C(Nc1ccc(Nc2ccccc2)nc1)c1cccc(O)c1[O-] ZINC000776344845 623415167 /nfs/dbraw/zinc/41/51/67/623415167.db2.gz XZNRDDHHHQKSPE-UHFFFAOYSA-N -1 3 321.336 3.489 20 10 DGCDHM O=C(N[C@H]1CCC[C@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC000776351193 623415905 /nfs/dbraw/zinc/41/59/05/623415905.db2.gz UXLHSLSCYJCCSA-HOCLYGCPSA-N -1 3 311.381 3.239 20 10 DGCDHM COc1cc(CN(C)Cc2ccc(F)c(F)c2[O-])cc(OC)c1 ZINC000876596539 623655695 /nfs/dbraw/zinc/65/56/95/623655695.db2.gz AGXJLJAYBRULAD-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM O=C(Nc1cc(-c2ccccc2F)no1)c1cccc(O)c1[O-] ZINC000790647852 625682984 /nfs/dbraw/zinc/68/29/84/625682984.db2.gz VEQKPPZXLMNZAW-UHFFFAOYSA-N -1 3 314.272 3.144 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)ccc1O ZINC000780398770 623923360 /nfs/dbraw/zinc/92/33/60/623923360.db2.gz RFOIGUFBEGLMQB-UHFFFAOYSA-N -1 3 313.325 3.439 20 10 DGCDHM O=C1N[C@@H](c2ccc(Br)cc2[O-])Nc2ccccc21 ZINC000877842196 624065754 /nfs/dbraw/zinc/06/57/54/624065754.db2.gz ASMQCRLILOEVOL-ZDUSSCGKSA-N -1 3 319.158 3.009 20 10 DGCDHM COc1cnccc1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331294 624338322 /nfs/dbraw/zinc/33/83/22/624338322.db2.gz PJKFWSUUGNSRRU-WDEREUQCSA-N -1 3 317.345 3.116 20 10 DGCDHM Cc1nn(C)c2ncc(NCc3c([O-])cccc3Cl)cc12 ZINC000127285035 624345159 /nfs/dbraw/zinc/34/51/59/624345159.db2.gz UPAGKLSBFCZFNA-UHFFFAOYSA-N -1 3 302.765 3.248 20 10 DGCDHM CC[C@H](C)n1ncc(NC(=O)c2cccc(O)c2[O-])c1C1CC1 ZINC000790907572 625715406 /nfs/dbraw/zinc/71/54/06/625715406.db2.gz ITETURHDLDDXPH-JTQLQIEISA-N -1 3 315.373 3.395 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](C)[C@H](C)O1 ZINC000783738884 624389941 /nfs/dbraw/zinc/38/99/41/624389941.db2.gz YHKIJZVYMDOLOE-VWYCJHECSA-N -1 3 314.223 3.152 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2-c2cn[nH]c2)c([O-])c1O ZINC000784477099 624529745 /nfs/dbraw/zinc/52/97/45/624529745.db2.gz WHFWYJCJCOHWCP-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM CC1(c2cc(NC(=O)c3cccc(O)c3[O-])no2)CCCC1 ZINC000791001134 625735689 /nfs/dbraw/zinc/73/56/89/625735689.db2.gz WHUJSNGDCVDIJQ-UHFFFAOYSA-N -1 3 302.330 3.170 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](OC(F)F)C1 ZINC000792174390 625919771 /nfs/dbraw/zinc/91/97/71/625919771.db2.gz UUEUOABRFBZIGP-QMMMGPOBSA-N -1 3 309.715 3.388 20 10 DGCDHM CC[C@@H](c1ccccc1OC)N(C)C(=O)c1cccc(O)c1[O-] ZINC000807860651 626773121 /nfs/dbraw/zinc/77/31/21/626773121.db2.gz CSMFNPHKNDAKKU-AWEZNQCLSA-N -1 3 315.369 3.330 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCCc3occc3C2)c1[O-] ZINC000808797094 626862169 /nfs/dbraw/zinc/86/21/69/626862169.db2.gz HMFONGQLJUYYCS-UHFFFAOYSA-N -1 3 303.333 3.275 20 10 DGCDHM C[C@@]1(Cc2cccs2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000885256454 626994241 /nfs/dbraw/zinc/99/42/41/626994241.db2.gz CZXTZSWGOITYQU-KRWDZBQOSA-N -1 3 317.410 3.397 20 10 DGCDHM COc1ccc(OC)c(CN[C@H](C)c2c([O-])cccc2F)c1 ZINC000886494973 627152917 /nfs/dbraw/zinc/15/29/17/627152917.db2.gz COVFTBHXODYKJZ-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM COc1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1OC ZINC000886507728 627154623 /nfs/dbraw/zinc/15/46/23/627154623.db2.gz XAASBDSTBIFGHS-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2c([O-])cccc2F)c(OC)c1 ZINC000886507466 627154735 /nfs/dbraw/zinc/15/47/35/627154735.db2.gz MCOKUSWSAJHTDL-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM CC[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801661 627205902 /nfs/dbraw/zinc/20/59/02/627205902.db2.gz QPAGPQJEZANUCE-CMPLNLGQSA-N -1 3 311.731 3.400 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCOC[C@H](C2CCC2)C1 ZINC000814178412 627547537 /nfs/dbraw/zinc/54/75/37/627547537.db2.gz PCWIOJBGPPAYEK-CYBMUJFWSA-N -1 3 313.800 3.433 20 10 DGCDHM Cc1nnsc1CN[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815629217 627693093 /nfs/dbraw/zinc/69/30/93/627693093.db2.gz XMBHFZBXDOHOIU-ZETCQYMHSA-N -1 3 317.336 3.422 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000816501757 627797673 /nfs/dbraw/zinc/79/76/73/627797673.db2.gz AAHLOPYOIDSXCR-LBPRGKRZSA-N -1 3 309.772 3.218 20 10 DGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCCc2c1cnn2C ZINC000816519810 627801778 /nfs/dbraw/zinc/80/17/78/627801778.db2.gz WTGWRKBUOFUQAY-CQSZACIVSA-N -1 3 323.799 3.428 20 10 DGCDHM CC[C@@H](NCc1nc2c(s1)COCC2)c1ccc(F)cc1[O-] ZINC000927119768 628020980 /nfs/dbraw/zinc/02/09/80/628020980.db2.gz ZYBWOXPGJWDFAX-GFCCVEGCSA-N -1 3 322.405 3.301 20 10 DGCDHM COc1ccc([C@H](C)CC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928705587 628179488 /nfs/dbraw/zinc/17/94/88/628179488.db2.gz LOUPSMRQDWLYTG-GFCCVEGCSA-N -1 3 317.360 3.350 20 10 DGCDHM Cc1ccc(CO[C@H](C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928710085 628180410 /nfs/dbraw/zinc/18/04/10/628180410.db2.gz GTUFEBVNHSSWPH-CYBMUJFWSA-N -1 3 317.360 3.061 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1conc1C1CCCC1 ZINC000928709623 628180420 /nfs/dbraw/zinc/18/04/20/628180420.db2.gz KEFDKCVGSPCUBW-UHFFFAOYSA-N -1 3 304.321 3.107 20 10 DGCDHM COc1ccc(CCCC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928712313 628180773 /nfs/dbraw/zinc/18/07/73/628180773.db2.gz QUGROGKICMYTMM-UHFFFAOYSA-N -1 3 317.360 3.179 20 10 DGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000831526999 629385846 /nfs/dbraw/zinc/38/58/46/629385846.db2.gz BBBYJJATGTWFIX-BONVTDFDSA-N -1 3 311.809 3.105 20 10 DGCDHM COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)[O-])ccc2F)c1 ZINC000833733515 629644197 /nfs/dbraw/zinc/64/41/97/629644197.db2.gz JJGDMFCEFLWXGO-SNVBAGLBSA-N -1 3 319.332 3.089 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c(Cl)c1 ZINC000840948960 630382937 /nfs/dbraw/zinc/38/29/37/630382937.db2.gz KEESNJOCOFMNKF-DLBZAZTESA-N -1 3 307.821 3.497 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(c2ccncn2)CC1 ZINC000840952952 630383203 /nfs/dbraw/zinc/38/32/03/630383203.db2.gz CVGAAGMBCALXGO-UHFFFAOYSA-N -1 3 321.783 3.354 20 10 DGCDHM CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c([O-])c1 ZINC000848640910 631715640 /nfs/dbraw/zinc/71/56/40/631715640.db2.gz VXLREZMVCZESBA-TUKIKUTGSA-N -1 3 321.417 3.016 20 10 DGCDHM COc1ccnc(CNCc2c([O-])cc(C)cc2Cl)c1F ZINC000850381224 632134087 /nfs/dbraw/zinc/13/40/87/632134087.db2.gz XUFYNUQDJZQGCO-UHFFFAOYSA-N -1 3 310.756 3.187 20 10 DGCDHM Cc1cn(C)nc1NCc1cc(C)cc(Br)c1[O-] ZINC000850418700 632146667 /nfs/dbraw/zinc/14/66/67/632146667.db2.gz AMXCTLYTNCSLSY-UHFFFAOYSA-N -1 3 310.195 3.117 20 10 DGCDHM COc1ccnc(CN[C@H](C)c2cc(Cl)ccc2[O-])c1F ZINC000850536975 632185681 /nfs/dbraw/zinc/18/56/81/632185681.db2.gz LLHPGUNGOKSANB-SECBINFHSA-N -1 3 310.756 3.439 20 10 DGCDHM CCCCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185791579 660242315 /nfs/dbraw/zinc/24/23/15/660242315.db2.gz UVJNNKZMMMWQJU-CABCVRRESA-N -1 3 321.417 3.154 20 10 DGCDHM C[C@@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1[O-] ZINC000186326182 660369547 /nfs/dbraw/zinc/36/95/47/660369547.db2.gz WHUVOQGLLPOQMC-SNVBAGLBSA-N -1 3 316.332 3.060 20 10 DGCDHM C[C@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(F)cc1[O-] ZINC000186390297 660380345 /nfs/dbraw/zinc/38/03/45/660380345.db2.gz JCAACUVAQAVYDJ-LBPRGKRZSA-N -1 3 312.348 3.344 20 10 DGCDHM Cc1cnc(CNCc2c([O-])cccc2Br)s1 ZINC000706821728 660873922 /nfs/dbraw/zinc/87/39/22/660873922.db2.gz NYDYJGWCENSQRC-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(OC(F)F)c1 ZINC000186940806 656134554 /nfs/dbraw/zinc/13/45/54/656134554.db2.gz HZSGBTQQHPETQL-SECBINFHSA-N -1 3 323.295 3.190 20 10 DGCDHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cccc(O)c1[O-] ZINC000192987428 656183700 /nfs/dbraw/zinc/18/37/00/656183700.db2.gz OSXYSPAVQPDTNQ-UHFFFAOYSA-N -1 3 313.231 3.091 20 10 DGCDHM C[C@@H]1SCCN(Cc2cccc(Br)c2[O-])[C@H]1C ZINC000093501014 656356409 /nfs/dbraw/zinc/35/64/09/656356409.db2.gz MBRMPMYUBIWGCC-UWVGGRQHSA-N -1 3 316.264 3.481 20 10 DGCDHM CC(C)(C)c1nnc(NC(=O)NCc2c([O-])cccc2F)s1 ZINC000929888438 661348031 /nfs/dbraw/zinc/34/80/31/661348031.db2.gz ZXDJPHCQFQZDTB-UHFFFAOYSA-N -1 3 324.381 3.002 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000189428223 661978049 /nfs/dbraw/zinc/97/80/49/661978049.db2.gz CAIYGMXYSFJMAD-UHFFFAOYSA-N -1 3 309.362 3.203 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccc(F)c1)C1CC1 ZINC000189868571 661994619 /nfs/dbraw/zinc/99/46/19/661994619.db2.gz GKXVGZFVXVZUNQ-UHFFFAOYSA-N -1 3 301.317 3.042 20 10 DGCDHM O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc(O)c1[O-] ZINC000192909970 662115709 /nfs/dbraw/zinc/11/57/09/662115709.db2.gz FQJZDLCMWPWFLI-UHFFFAOYSA-N -1 3 320.348 3.336 20 10 DGCDHM Cc1cc(C)cc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2[O-])c1 ZINC001591951091 1192581741 /nfs/dbraw/zinc/58/17/41/1192581741.db2.gz IQSRYUQDXLYXGU-CYBMUJFWSA-N -1 3 323.400 3.040 20 10 DGCDHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1F ZINC001596180312 1192683805 /nfs/dbraw/zinc/68/38/05/1192683805.db2.gz ALSDOGZSUUGFHN-UHFFFAOYSA-N -1 3 307.296 3.041 20 10 DGCDHM Cc1cc(CNCc2ccc(N(C)C)c(F)c2)ccc1C(=O)[O-] ZINC001600209739 1192810626 /nfs/dbraw/zinc/81/06/26/1192810626.db2.gz UELIYUGMYQRHAY-UHFFFAOYSA-N -1 3 316.376 3.188 20 10 DGCDHM Cc1cc(Cl)nc(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001600220167 1192814052 /nfs/dbraw/zinc/81/40/52/1192814052.db2.gz LNLGHXDDWFFWDU-SNVBAGLBSA-N -1 3 320.776 3.298 20 10 DGCDHM O=C(C[C@@H]1CCNc2ccccc21)NCc1c([O-])cccc1F ZINC001341767544 1179059202 /nfs/dbraw/zinc/05/92/02/1179059202.db2.gz RDKFDDPGWCCULD-LBPRGKRZSA-N -1 3 314.360 3.137 20 10 DGCDHM CCOC(=O)C[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC001343973480 1179359344 /nfs/dbraw/zinc/35/93/44/1179359344.db2.gz VVGMSMQBTKKLPD-NSHDSACASA-N -1 3 315.772 3.102 20 10 DGCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1nccs1 ZINC001604186070 1193059102 /nfs/dbraw/zinc/05/91/02/1193059102.db2.gz VVUCWVQTGNUWKT-UWVGGRQHSA-N -1 3 306.387 3.001 20 10 DGCDHM CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604983745 1193104289 /nfs/dbraw/zinc/10/42/89/1193104289.db2.gz MVZUOTGZAKAFKF-WCBMZHEXSA-N -1 3 305.296 3.472 20 10 DGCDHM Cc1ccnc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)n1 ZINC001443856209 1182109757 /nfs/dbraw/zinc/10/97/57/1182109757.db2.gz AYGMRIPWWCMLDK-UHFFFAOYSA-N -1 3 321.336 3.116 20 10 DGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)c(F)c1 ZINC001446888167 1182179398 /nfs/dbraw/zinc/17/93/98/1182179398.db2.gz HMIXEEICXVBOAT-CQSZACIVSA-N -1 3 303.333 3.426 20 10 DGCDHM Cc1ccccc1C(C)(C)C(=O)NCc1c([O-])cccc1F ZINC001456093847 1182397190 /nfs/dbraw/zinc/39/71/90/1182397190.db2.gz ONIFWALCYZPGSM-UHFFFAOYSA-N -1 3 301.361 3.434 20 10 DGCDHM CN(C)c1ccc(CN2CCc3cc(C(=O)[O-])ccc3C2)cc1 ZINC001606054456 1193188871 /nfs/dbraw/zinc/18/88/71/1193188871.db2.gz XLSAKESTIBEYLA-UHFFFAOYSA-N -1 3 310.397 3.009 20 10 DGCDHM COc1cccc2c1nc(NCc1cccc(F)c1[O-])n2C ZINC001462684302 1182985310 /nfs/dbraw/zinc/98/53/10/1182985310.db2.gz ZUQOXYPSTHMALZ-UHFFFAOYSA-N -1 3 301.321 3.039 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC001468787082 1183359334 /nfs/dbraw/zinc/35/93/34/1183359334.db2.gz OEYMOCJYFGYXRF-JHJVBQTASA-N -1 3 306.381 3.299 20 10 DGCDHM C=Cc1ccc(CCNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001470263420 1183474695 /nfs/dbraw/zinc/47/46/95/1183474695.db2.gz NWHPRSDPJKPGBQ-UHFFFAOYSA-N -1 3 314.360 3.216 20 10 DGCDHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)c1ccccc1F ZINC001471974629 1183604159 /nfs/dbraw/zinc/60/41/59/1183604159.db2.gz IHMQQDLTKUJEJQ-NSHDSACASA-N -1 3 305.324 3.480 20 10 DGCDHM COc1ccc2c(c1)N(Cc1cc(F)c(F)cc1[O-])C[C@@H](C)O2 ZINC001474467220 1183926878 /nfs/dbraw/zinc/92/68/78/1183926878.db2.gz RSMKGPLGSWPGDK-SNVBAGLBSA-N -1 3 321.323 3.467 20 10 DGCDHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474504822 1183932898 /nfs/dbraw/zinc/93/28/98/1183932898.db2.gz KZSXNPYTFSJEGL-CQSZACIVSA-N -1 3 307.344 3.347 20 10 DGCDHM Cc1ccc([C@H](C)NCc2ccc(Cl)c(C(=O)[O-])n2)c(O)c1 ZINC001607751765 1193253349 /nfs/dbraw/zinc/25/33/49/1193253349.db2.gz IIENILADEDXVDS-JTQLQIEISA-N -1 3 320.776 3.298 20 10 DGCDHM CC(C)N1CCCC[C@H]1CSc1ncc(C(=O)[O-])s1 ZINC001609706836 1193350780 /nfs/dbraw/zinc/35/07/80/1193350780.db2.gz PLJZDJCTNNTRED-JTQLQIEISA-N -1 3 300.449 3.196 20 10 DGCDHM C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778743 1193355701 /nfs/dbraw/zinc/35/57/01/1193355701.db2.gz XOVKTELEQVZKEF-IUODEOHRSA-N -1 3 321.417 3.072 20 10 DGCDHM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001610763599 1193407530 /nfs/dbraw/zinc/40/75/30/1193407530.db2.gz ZVMHKYXZQGHAQX-QGZVFWFLSA-N -1 3 311.381 3.498 20 10 DGCDHM O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001610763599 1193407531 /nfs/dbraw/zinc/40/75/31/1193407531.db2.gz ZVMHKYXZQGHAQX-QGZVFWFLSA-N -1 3 311.381 3.498 20 10 DGCDHM CC(C)(C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001558457912 1189126408 /nfs/dbraw/zinc/12/64/08/1189126408.db2.gz ZQMWVSCZIIPAIH-UHFFFAOYSA-N -1 3 323.314 3.404 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(Sc2ccccc2)CC1 ZINC001558455764 1189126481 /nfs/dbraw/zinc/12/64/81/1189126481.db2.gz YBRSUANHVGQWGB-UHFFFAOYSA-N -1 3 317.385 3.472 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])cc1F ZINC001560670013 1189358268 /nfs/dbraw/zinc/35/82/68/1189358268.db2.gz NZEPWOAKGXCRJL-UHFFFAOYSA-N -1 3 311.303 3.450 20 10 DGCDHM Cc1cc([O-])c(CN[C@@H](C)C(=O)OC2CCCC2)c(Cl)c1 ZINC001560772004 1189378987 /nfs/dbraw/zinc/37/89/87/1189378987.db2.gz LWNLKEAEVSODQL-NSHDSACASA-N -1 3 311.809 3.318 20 10 DGCDHM O=C(NCc1ccc(Cl)s1)NCc1c([O-])cccc1F ZINC001563628548 1189523815 /nfs/dbraw/zinc/52/38/15/1189523815.db2.gz XXKZEDZZUABZOF-UHFFFAOYSA-N -1 3 314.769 3.246 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cc2c(cn1)CCCC2 ZINC001625209214 1194038078 /nfs/dbraw/zinc/03/80/78/1194038078.db2.gz ZPXJSXYCXVEUPC-UHFFFAOYSA-N -1 3 315.348 3.127 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(OCC(C)C)nc2)c([O-])c1O ZINC001627748766 1194142286 /nfs/dbraw/zinc/14/22/86/1194142286.db2.gz GKMHRIOBRGJWKF-UHFFFAOYSA-N -1 3 316.357 3.088 20 10 DGCDHM O=C(NCC1(c2cccc(F)c2)CCC1)c1cccc(O)c1[O-] ZINC001634123333 1194474833 /nfs/dbraw/zinc/47/48/33/1194474833.db2.gz VJUOZZCHVFIAFZ-UHFFFAOYSA-N -1 3 315.344 3.089 20 10 DGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1CC1CC1 ZINC001638863687 1194741394 /nfs/dbraw/zinc/74/13/94/1194741394.db2.gz QALPGNWCYPGGDI-UHFFFAOYSA-N -1 3 316.376 3.290 20 10 DGCDHM O=C(c1cc([O-])c2ccccc2c1)N1Cc2cccc(O)c2C1 ZINC001643173332 1195000447 /nfs/dbraw/zinc/00/04/47/1195000447.db2.gz DNVAZUWDSKWAMA-UHFFFAOYSA-N -1 3 305.333 3.407 20 10 DGCDHM CS[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001646034495 1195211204 /nfs/dbraw/zinc/21/12/04/1195211204.db2.gz KAWCOGDGTXVWCL-OAHLLOKOSA-N -1 3 305.374 3.252 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c2ncccc2c1 ZINC001646034499 1195211701 /nfs/dbraw/zinc/21/17/01/1195211701.db2.gz KECZIQZQYIPHCK-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM O=C(CCOc1ccc(Cl)cc1)NCc1c([O-])cccc1F ZINC001646028662 1195211777 /nfs/dbraw/zinc/21/17/77/1195211777.db2.gz KMBGNHINLSFRIY-UHFFFAOYSA-N -1 3 323.751 3.270 20 10 DGCDHM O=C(/C=C/c1ccc2ccccc2n1)NCc1c([O-])cccc1F ZINC001646029238 1195211855 /nfs/dbraw/zinc/21/18/55/1195211855.db2.gz SNEMGBPANIKXBM-ZHACJKMWSA-N -1 3 322.339 3.409 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC001652298745 1195578092 /nfs/dbraw/zinc/57/80/92/1195578092.db2.gz PSWUIFBTXYEJHX-UWVGGRQHSA-N -1 3 321.298 3.229 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC001652298744 1195578684 /nfs/dbraw/zinc/57/86/84/1195578684.db2.gz PSWUIFBTXYEJHX-NXEZZACHSA-N -1 3 321.298 3.229 20 10 DGCDHM CN1c2ccccc2N(Cc2ccc(Cl)cc2[O-])CCC1=O ZINC001652586028 1195621859 /nfs/dbraw/zinc/62/18/59/1195621859.db2.gz QCWRQLZWISSEND-UHFFFAOYSA-N -1 3 316.788 3.419 20 10 DGCDHM C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cccc(O)c1[O-] ZINC001653937118 1195761558 /nfs/dbraw/zinc/76/15/58/1195761558.db2.gz SLRMMXTXAVPHTP-SECBINFHSA-N -1 3 303.745 3.343 20 10 DGCDHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1 ZINC000070330016 1195862365 /nfs/dbraw/zinc/86/23/65/1195862365.db2.gz NYCVFVKBAYQJGE-UHFFFAOYSA-N -1 3 309.362 3.285 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC001658675767 1196287488 /nfs/dbraw/zinc/28/74/88/1196287488.db2.gz OMRUVLHAGQEBEG-PBHICJAKSA-N -1 3 319.351 3.368 20 10 DGCDHM CCOc1cc(C(=O)OC)ccc1NCc1cccc(F)c1[O-] ZINC001658926908 1196319831 /nfs/dbraw/zinc/31/98/31/1196319831.db2.gz XMOSKSXMQTZMAT-UHFFFAOYSA-N -1 3 319.332 3.329 20 10 DGCDHM O=C1CC[C@H](c2cccc(NCc3cc(F)c(F)cc3[O-])c2)N1 ZINC001659464924 1196385857 /nfs/dbraw/zinc/38/58/57/1196385857.db2.gz BRDWEBZOQUQKOL-OAHLLOKOSA-N -1 3 318.323 3.234 20 10 DGCDHM COc1cc2c(cc1O)CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001660018776 1196438834 /nfs/dbraw/zinc/43/88/34/1196438834.db2.gz XHVSLIUFDCJJGA-UHFFFAOYSA-N -1 3 319.788 3.318 20 10 DGCDHM O=C1CC[C@H](c2ccccc2NCc2cc(F)c(F)cc2[O-])N1 ZINC001660615106 1196504193 /nfs/dbraw/zinc/50/41/93/1196504193.db2.gz ISLOMEMERSMSOI-OAHLLOKOSA-N -1 3 318.323 3.234 20 10 DGCDHM Cc1cc(Cl)ncc1NC(=O)NCc1c([O-])cccc1F ZINC001668013399 1197395329 /nfs/dbraw/zinc/39/53/29/1197395329.db2.gz XZQFJSDTFZUCEL-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001670047423 1197517906 /nfs/dbraw/zinc/51/79/06/1197517906.db2.gz BEMUKTYOYWLPPE-VIFPVBQESA-N -1 3 324.302 3.370 20 10 DGCDHM C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001679796951 1198825265 /nfs/dbraw/zinc/82/52/65/1198825265.db2.gz GYNBFAHDCTVRNC-FUHWJXTLSA-N -1 3 314.360 3.061 20 10 DGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)cnc1Cl ZINC001669965136 1197511916 /nfs/dbraw/zinc/51/19/16/1197511916.db2.gz VAPLCWGMRXVHKB-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM C[C@H]([NH2+][C@@H]1C[C@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218482 994285928 /nfs/dbraw/zinc/28/59/28/994285928.db2.gz GKFHVWOFOPTABV-XGWLTEMNSA-N -1 3 311.381 3.372 20 10 DGCDHM C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239604 994423629 /nfs/dbraw/zinc/42/36/29/994423629.db2.gz GRAPMOMELXVXAM-GFCCVEGCSA-N -1 3 314.385 3.114 20 10 DGCDHM COc1cc(Cl)cc(C[NH2+][C@H](CC(C)(C)C)C(=O)[O-])c1[O-] ZINC001599420687 997589022 /nfs/dbraw/zinc/58/90/22/997589022.db2.gz OZNFDLFGOIYEKP-LLVKDONJSA-N -1 3 315.797 3.033 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCc2ncccc2C1 ZINC001140101298 1081840658 /nfs/dbraw/zinc/84/06/58/1081840658.db2.gz QIQBUGAKJLZMBX-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC001625908602 1084023184 /nfs/dbraw/zinc/02/31/84/1084023184.db2.gz XVTDTIJULXSSDE-UHFFFAOYSA-N -1 3 319.788 3.459 20 10 DGCDHM [O-]c1c(CNc2ncc(F)cn2)cc(Cl)c2cccnc12 ZINC001168522583 1088531603 /nfs/dbraw/zinc/53/16/03/1088531603.db2.gz FZBZFQBGGQBMPJ-UHFFFAOYSA-N -1 3 304.712 3.135 20 10 DGCDHM O=C(Cc1c[nH]c2cc(F)ccc12)NCc1c([O-])cccc1F ZINC001156170026 1089417303 /nfs/dbraw/zinc/41/73/03/1089417303.db2.gz CBLKVOGGVBOGJC-UHFFFAOYSA-N -1 3 316.307 3.011 20 10 DGCDHM Cc1ccc(Cl)cc1OCC(=O)NCc1c([O-])cccc1F ZINC001156177395 1089420586 /nfs/dbraw/zinc/42/05/86/1089420586.db2.gz FHZHZJWHPQFYCV-UHFFFAOYSA-N -1 3 323.751 3.188 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC[C@@](O)(CF)C1 ZINC001236794927 1089894946 /nfs/dbraw/zinc/89/49/46/1089894946.db2.gz WWCHYSKABUISJV-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM Cc1nccc(NCc2cc(Cl)c3cccnc3c2[O-])c1F ZINC001168526518 1090304496 /nfs/dbraw/zinc/30/44/96/1090304496.db2.gz XRNAMYUCWYPDMZ-UHFFFAOYSA-N -1 3 317.751 3.470 20 10 DGCDHM COc1nccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168528283 1090357881 /nfs/dbraw/zinc/35/78/81/1090357881.db2.gz SEONCOLRJPKGJL-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM C[C@@H]1CO[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]12 ZINC001203581857 1090761601 /nfs/dbraw/zinc/76/16/01/1090761601.db2.gz AKGRNZWUCKSEKS-XTWCZFFVSA-N -1 3 302.201 3.166 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1C[C@H](CO)CC[C@@H]1C(F)(F)F ZINC001203651227 1090773785 /nfs/dbraw/zinc/77/37/85/1090773785.db2.gz LFOFTMFLSLWODH-NOZJJQNGSA-N -1 3 323.742 3.181 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001139684449 1091641238 /nfs/dbraw/zinc/64/12/38/1091641238.db2.gz UZNPEUNVSADIPC-ZDUSSCGKSA-N -1 3 323.314 3.463 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCc2cnc(C3CC3)nc2C1 ZINC001140342485 1091836022 /nfs/dbraw/zinc/83/60/22/1091836022.db2.gz LLLCNVHMQJEBHX-UHFFFAOYSA-N -1 3 315.804 3.271 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCOC[C@H]1Cc1ccccc1 ZINC001140464569 1091875535 /nfs/dbraw/zinc/87/55/35/1091875535.db2.gz VSBIBFKYGJAOQT-QGZVFWFLSA-N -1 3 317.816 3.489 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCc2cnc(C3CC3)nc2C1 ZINC001140468800 1091878955 /nfs/dbraw/zinc/87/89/55/1091878955.db2.gz YDTRZJVIOQCTNM-UHFFFAOYSA-N -1 3 315.804 3.271 20 10 DGCDHM COCc1cc(NCc2cc(F)c(F)cc2[O-])ccc1OC ZINC001207243041 1091898354 /nfs/dbraw/zinc/89/83/54/1091898354.db2.gz IBDCTJSGWFQTQF-UHFFFAOYSA-N -1 3 309.312 3.438 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001140585529 1091921752 /nfs/dbraw/zinc/92/17/52/1091921752.db2.gz MMYODSUZHQDFEK-AWEZNQCLSA-N -1 3 320.339 3.109 20 10 DGCDHM Cc1ccc(O[C@H]2CCN(Cc3c([O-])cc(F)cc3F)C2)nc1 ZINC001140585498 1091921937 /nfs/dbraw/zinc/92/19/37/1091921937.db2.gz KMZSHUGDUOLRFP-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM CN1CCN(Cc2cc(F)c(F)cc2[O-])[C@H](c2ccccc2)C1 ZINC001142502074 1092489750 /nfs/dbraw/zinc/48/97/50/1092489750.db2.gz IDEKITKQKJBKTQ-KRWDZBQOSA-N -1 3 318.367 3.159 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001142521006 1092493969 /nfs/dbraw/zinc/49/39/69/1092493969.db2.gz UHYWIFROIRHQFJ-CQSZACIVSA-N -1 3 323.314 3.463 20 10 DGCDHM CCOc1ccccc1NC(=O)NCc1c([O-])cccc1F ZINC001214492675 1093786038 /nfs/dbraw/zinc/78/60/38/1093786038.db2.gz GYYGOWJJEWKKNX-UHFFFAOYSA-N -1 3 304.321 3.252 20 10 DGCDHM Cc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(F)cc1F ZINC001215327459 1093961870 /nfs/dbraw/zinc/96/18/70/1093961870.db2.gz BRIWKFULEWRBFZ-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(F)cc3Cl)no2)cc1O ZINC001215327625 1093961920 /nfs/dbraw/zinc/96/19/20/1093961920.db2.gz LCKUVKPNYGZNPX-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM Cc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc1Cl ZINC001215327623 1093961935 /nfs/dbraw/zinc/96/19/35/1093961935.db2.gz LAZCGHNNQIZWHF-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(O)c(C(C)C)c1 ZINC001215845537 1094072998 /nfs/dbraw/zinc/07/29/98/1094072998.db2.gz FQPSBPVUPNEYHL-UHFFFAOYSA-N -1 3 320.414 3.207 20 10 DGCDHM COCc1cc(NCc2c([O-])cccc2F)nc(C(C)(C)C)n1 ZINC001336837344 1094753517 /nfs/dbraw/zinc/75/35/17/1094753517.db2.gz SDRDOVDPFHDHRT-UHFFFAOYSA-N -1 3 319.380 3.377 20 10 DGCDHM [O-]c1cc(Br)ccc1CN[C@H]1CCCC1(F)F ZINC000691425763 1094942045 /nfs/dbraw/zinc/94/20/45/1094942045.db2.gz DZNFAUOLVJHJCT-NSHDSACASA-N -1 3 306.150 3.432 20 10 DGCDHM C[C@H](NCc1cc(Br)ccc1[O-])c1cscn1 ZINC000697935124 1095053418 /nfs/dbraw/zinc/05/34/18/1095053418.db2.gz IKINGCNWOSKJPR-QMMMGPOBSA-N -1 3 313.220 3.462 20 10 DGCDHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001221617416 1095314451 /nfs/dbraw/zinc/31/44/51/1095314451.db2.gz PMOWKAIDSYBUAV-NSHDSACASA-N -1 3 320.339 3.273 20 10 DGCDHM COc1cc(Cl)ccc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC000318984616 1095370064 /nfs/dbraw/zinc/37/00/64/1095370064.db2.gz KKHRIFOPVNJKBA-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC(CF)CC1 ZINC001144299715 1095592905 /nfs/dbraw/zinc/59/29/05/1095592905.db2.gz HEKQAQUHTPQSQR-UHFFFAOYSA-N -1 3 320.177 3.475 20 10 DGCDHM [O-]c1ccc(Br)cc1CNc1ccc(=S)[nH]c1 ZINC001171177864 1095647505 /nfs/dbraw/zinc/64/75/05/1095647505.db2.gz LBNWJJDIPJVALO-UHFFFAOYSA-N -1 3 311.204 3.451 20 10 DGCDHM COC(CN(Cc1ccccc1)Cc1cccc(F)c1[O-])OC ZINC001138122372 1095894579 /nfs/dbraw/zinc/89/45/79/1095894579.db2.gz ABDHZNGOZIZISU-UHFFFAOYSA-N -1 3 319.376 3.152 20 10 DGCDHM O=C(Nc1cncc(-c2ccccc2)c1)c1cccc(O)c1[O-] ZINC001148212173 1096327640 /nfs/dbraw/zinc/32/76/40/1096327640.db2.gz PLCGRCKSXDRBNC-UHFFFAOYSA-N -1 3 306.321 3.412 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc(F)cc1F ZINC001148218787 1096327731 /nfs/dbraw/zinc/32/77/31/1096327731.db2.gz LFZLKNYPLWOYJL-AWEZNQCLSA-N -1 3 319.307 3.353 20 10 DGCDHM CCCc1nc2ccc(NC(=O)c3cccc(O)c3[O-])cc2o1 ZINC001148218880 1096327887 /nfs/dbraw/zinc/32/78/87/1096327887.db2.gz LSPLPZLSHYWOLS-UHFFFAOYSA-N -1 3 312.325 3.444 20 10 DGCDHM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1cccc(O)c1[O-] ZINC001148213183 1096328277 /nfs/dbraw/zinc/32/82/77/1096328277.db2.gz ZPAHKRKAIMOIGC-UHFFFAOYSA-N -1 3 314.272 3.144 20 10 DGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(F)c1 ZINC001148224544 1096329340 /nfs/dbraw/zinc/32/93/40/1096329340.db2.gz OVINLCQFVOBTGC-CYBMUJFWSA-N -1 3 307.296 3.257 20 10 DGCDHM CC(C)N(C(=O)c1cc(O)c([O-])c(O)c1)[C@@H](C)c1ccccc1 ZINC001148587144 1096407370 /nfs/dbraw/zinc/40/73/70/1096407370.db2.gz DOIJBXRKTHNZEE-LBPRGKRZSA-N -1 3 315.369 3.415 20 10 DGCDHM CC(C)(C)c1cccc(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148587276 1096407597 /nfs/dbraw/zinc/40/75/97/1096407597.db2.gz GNVZPFVRPQABKE-UHFFFAOYSA-N -1 3 301.342 3.353 20 10 DGCDHM CC(C)=CCC/C(C)=C/CNC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148590100 1096408941 /nfs/dbraw/zinc/40/89/41/1096408941.db2.gz XCCQEAXLKMZQKT-KPKJPENVSA-N -1 3 305.374 3.226 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001231563532 1097779527 /nfs/dbraw/zinc/77/95/27/1097779527.db2.gz CCSXHTJJLQXEIG-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001231563532 1097779531 /nfs/dbraw/zinc/77/95/31/1097779531.db2.gz CCSXHTJJLQXEIG-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM C[N@H+](CCc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565472 1097780528 /nfs/dbraw/zinc/78/05/28/1097780528.db2.gz XSWUDMVMGCHVSS-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231565472 1097780531 /nfs/dbraw/zinc/78/05/31/1097780531.db2.gz XSWUDMVMGCHVSS-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM [O-]c1cc(O)c(CN2CCCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232259532 1097985204 /nfs/dbraw/zinc/98/52/04/1097985204.db2.gz KLANRKMRQIQQMJ-GFCCVEGCSA-N -1 3 309.715 3.320 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ccncc3C2)cc1Cl ZINC001232269897 1097989043 /nfs/dbraw/zinc/98/90/43/1097989043.db2.gz MLUQZDBBAATYCW-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM [O-]c1c(CN2C[C@@H](CF)[C@H](C(F)(F)F)C2)ccc(F)c1F ZINC001233074311 1098219922 /nfs/dbraw/zinc/21/99/22/1098219922.db2.gz MKCOXTUZJDWGDY-RKDXNWHRSA-N -1 3 313.241 3.250 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001233332480 1098290407 /nfs/dbraw/zinc/29/04/07/1098290407.db2.gz MJUMHEGIOCHUKJ-VXNVDRBHSA-N -1 3 313.241 3.250 20 10 DGCDHM COc1ccc(CN(C)Cc2c([O-])ccc(F)c2F)cc1OC ZINC001233334652 1098292957 /nfs/dbraw/zinc/29/29/57/1098292957.db2.gz OVDYXPZFFDLIIX-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM [O-]c1c(CN2CC[C@@H]3CCCO[C@H]3C2)cccc1C(F)(F)F ZINC001233416686 1098322104 /nfs/dbraw/zinc/32/21/04/1098322104.db2.gz RMTGKKCSBNKSGE-FZMZJTMJSA-N -1 3 315.335 3.412 20 10 DGCDHM O=C1C[C@@H](c2cccc(NCc3c([O-])cccc3Cl)c2)CN1 ZINC001178249375 1098754323 /nfs/dbraw/zinc/75/43/23/1098754323.db2.gz OHGBMMHSQBVGEN-GFCCVEGCSA-N -1 3 316.788 3.261 20 10 DGCDHM Cc1ccc(C[C@@H](C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001178412859 1098827825 /nfs/dbraw/zinc/82/78/25/1098827825.db2.gz IOAVQTYIEOTDES-CYBMUJFWSA-N -1 3 301.361 3.335 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CSc2ccccc21 ZINC001178412885 1098828860 /nfs/dbraw/zinc/82/88/60/1098828860.db2.gz JHYHBZLYGNHMIO-GFCCVEGCSA-N -1 3 303.358 3.037 20 10 DGCDHM O=C(NCc1c(O)cccc1F)c1cc2sccc2c([O-])c1 ZINC001178413851 1098829229 /nfs/dbraw/zinc/82/92/29/1098829229.db2.gz ZIWDQFDPAMTKAC-UHFFFAOYSA-N -1 3 317.341 3.382 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](c2ccccn2)C1 ZINC001203663682 1099539459 /nfs/dbraw/zinc/53/94/59/1099539459.db2.gz DBZISAZNOGKYDM-MRXNPFEDSA-N -1 3 304.777 3.014 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H](F)C[C@H]2C)c1 ZINC001236662408 1099729574 /nfs/dbraw/zinc/72/95/74/1099729574.db2.gz DQFUMPRMAXQHKI-MWLCHTKSSA-N -1 3 302.187 3.395 20 10 DGCDHM Cc1ncc(CN(C)Cc2cc(Cl)c(Cl)cc2[O-])cn1 ZINC001236799847 1099793301 /nfs/dbraw/zinc/79/33/01/1099793301.db2.gz QREYDFUPMAUHCO-UHFFFAOYSA-N -1 3 312.200 3.429 20 10 DGCDHM COc1cc([O-])c(CN2CCc3cccnc3C2)c(Cl)c1 ZINC001236809252 1099799137 /nfs/dbraw/zinc/79/91/37/1099799137.db2.gz UHGSCKWENMNMJM-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM COc1cc([O-])c(CN2CC(C)(C)OC(C)(C)C2)c(Cl)c1 ZINC001236807975 1099800652 /nfs/dbraw/zinc/80/06/52/1099800652.db2.gz LPQYLWXHLOIXFO-UHFFFAOYSA-N -1 3 313.825 3.444 20 10 DGCDHM COC(=O)[C@@]1(C)CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237086981 1099963872 /nfs/dbraw/zinc/96/38/72/1099963872.db2.gz QJMBGGHZPMGMGY-AWEZNQCLSA-N -1 3 318.200 3.084 20 10 DGCDHM CCN1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@H]1C ZINC001237087515 1099964538 /nfs/dbraw/zinc/96/45/38/1099964538.db2.gz YCXBFWYYFJLQPZ-SNVBAGLBSA-N -1 3 303.233 3.225 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCc2cccc(O)c2C1 ZINC001237806263 1100253359 /nfs/dbraw/zinc/25/33/59/1100253359.db2.gz SGXMWXSFIVYGKK-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM COC(=O)[C@@H]1CCN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248880407 1105185015 /nfs/dbraw/zinc/18/50/15/1105185015.db2.gz IMRJVFQWARBDFU-ZDUSSCGKSA-N -1 3 311.809 3.090 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2C[C@H](F)C[C@H]2CO)cc1Cl ZINC001248881213 1105185878 /nfs/dbraw/zinc/18/58/78/1105185878.db2.gz TUNGKNHYSIZVNB-NEPJUHHUSA-N -1 3 315.816 3.248 20 10 DGCDHM CCOC(=O)CN(C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248881340 1105185927 /nfs/dbraw/zinc/18/59/27/1105185927.db2.gz WLCNGSNMJVMPFT-UHFFFAOYSA-N -1 3 313.825 3.338 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001254512671 1106088468 /nfs/dbraw/zinc/08/84/68/1106088468.db2.gz KNYMFMOXTCWMDY-NWDGAFQWSA-N -1 3 310.309 3.125 20 10 DGCDHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3cc(O)c([O-])c(O)c3)o2)cc1 ZINC001257209503 1106551874 /nfs/dbraw/zinc/55/18/74/1106551874.db2.gz LBHOSPOSLKLPQM-OLZOCXBDSA-N -1 3 324.336 3.433 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(C)c(F)c2)c(C)cc1O ZINC001259479004 1107146930 /nfs/dbraw/zinc/14/69/30/1107146930.db2.gz HZHPZWAUZILXTO-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1F ZINC001259479856 1107147125 /nfs/dbraw/zinc/14/71/25/1107147125.db2.gz IPJXHLUWMSHUCB-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(N(C)C)c1 ZINC001259491109 1107150510 /nfs/dbraw/zinc/15/05/10/1107150510.db2.gz IPVUSGLZTSXUOT-UHFFFAOYSA-N -1 3 308.378 3.001 20 10 DGCDHM O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc([O-])c(F)c1 ZINC001260832690 1107324324 /nfs/dbraw/zinc/32/43/24/1107324324.db2.gz ZWRHQWDEBFJERS-UHFFFAOYSA-N -1 3 315.753 3.127 20 10 DGCDHM CSc1c(F)cccc1C(=O)NCc1c([O-])cccc1F ZINC001303875485 1111156698 /nfs/dbraw/zinc/15/66/98/1111156698.db2.gz JBMWRYNJBIRZCM-UHFFFAOYSA-N -1 3 309.337 3.322 20 10 DGCDHM Cc1cnc([C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])C2CC2)s1 ZINC001308291355 1111412129 /nfs/dbraw/zinc/41/21/29/1111412129.db2.gz XSYPOBYBWPHUOD-AWEZNQCLSA-N -1 3 319.386 3.306 20 10 DGCDHM CCO[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000042423872 183268451 /nfs/dbraw/zinc/26/84/51/183268451.db2.gz AYCITAFVOIDFKU-AWEZNQCLSA-N -1 3 311.809 3.249 20 10 DGCDHM Cc1nc(C)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273611050 130144420 /nfs/dbraw/zinc/14/44/20/130144420.db2.gz VWCGMDUPOCSVQY-QMMMGPOBSA-N -1 3 307.375 3.225 20 10 DGCDHM COc1cc(Cl)cc(CN2CCOC3(CCCC3)C2)c1[O-] ZINC000273786609 130166921 /nfs/dbraw/zinc/16/69/21/130166921.db2.gz UOMFGWLRSHUHJW-UHFFFAOYSA-N -1 3 311.809 3.199 20 10 DGCDHM CCc1nn(C)c(OC)c1CN[C@@H](CC)c1ccc(F)cc1[O-] ZINC000286055483 131218047 /nfs/dbraw/zinc/21/80/47/131218047.db2.gz LFOIFFZMWKGMAU-AWEZNQCLSA-N -1 3 321.396 3.077 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@@H]2C)c([O-])c1O ZINC000182452975 292069809 /nfs/dbraw/zinc/06/98/09/292069809.db2.gz ZPJFBVKAUSVANG-DZGCQCFKSA-N -1 3 311.381 3.424 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000093865935 400258536 /nfs/dbraw/zinc/25/85/36/400258536.db2.gz VNHMHHVJBQAFQB-OAHLLOKOSA-N -1 3 304.777 3.094 20 10 DGCDHM CC[C@@H](NCC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287685905 286902256 /nfs/dbraw/zinc/90/22/56/286902256.db2.gz MXAAQIWFNMHYIG-GFCCVEGCSA-N -1 3 319.232 3.218 20 10 DGCDHM [O-]c1ccccc1CN(Cc1nccs1)C[C@H]1CCCO1 ZINC000269735708 432204610 /nfs/dbraw/zinc/20/46/10/432204610.db2.gz ZQVZTIQJOPQATO-CQSZACIVSA-N -1 3 304.415 3.030 20 10 DGCDHM Cc1nnc(-c2cccc(NCc3cc(F)ccc3[O-])c2)n1C ZINC000373136636 229550708 /nfs/dbraw/zinc/55/07/08/229550708.db2.gz DEYFRUXJXRZBPB-UHFFFAOYSA-N -1 3 312.348 3.247 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(n2ccnc2)CC1 ZINC000191284865 432245932 /nfs/dbraw/zinc/24/59/32/432245932.db2.gz FSPSXZOLZDEFBR-UHFFFAOYSA-N -1 3 309.772 3.218 20 10 DGCDHM COc1ccc([C@H](CO)N(C)Cc2c([O-])cccc2Cl)cc1 ZINC000126421755 431949580 /nfs/dbraw/zinc/94/95/80/431949580.db2.gz WYLVGWGBEKYZQY-INIZCTEOSA-N -1 3 321.804 3.220 20 10 DGCDHM C[C@@H](NCc1nccs1)c1cc(Br)ccc1[O-] ZINC000185087451 432465441 /nfs/dbraw/zinc/46/54/41/432465441.db2.gz PVELOZIECHELDC-MRVPVSSYSA-N -1 3 313.220 3.462 20 10 DGCDHM C[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2c([O-])cccc21 ZINC000186306296 432579956 /nfs/dbraw/zinc/57/99/56/432579956.db2.gz CEMQBGOWOXHRQK-FYJFLYSWSA-N -1 3 312.344 3.480 20 10 DGCDHM COc1cc(Cl)cc(CN2CCOCC23CCCC3)c1[O-] ZINC000273755872 432630652 /nfs/dbraw/zinc/63/06/52/432630652.db2.gz OFVIDAXQVZFDLF-UHFFFAOYSA-N -1 3 311.809 3.199 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccc(F)cc1)CC1CC1 ZINC000187097724 432646284 /nfs/dbraw/zinc/64/62/84/432646284.db2.gz USTRMSXAXFMLOL-UHFFFAOYSA-N -1 3 315.344 3.289 20 10 DGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177678557 432649199 /nfs/dbraw/zinc/64/91/99/432649199.db2.gz WJROTQUGEJTVLU-UHFFFAOYSA-N -1 3 315.369 3.164 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C2(C)C)c([O-])c1O ZINC000276160941 432777873 /nfs/dbraw/zinc/77/78/73/432777873.db2.gz FQADXFHLZNZNGM-JTQLQIEISA-N -1 3 317.307 3.209 20 10 DGCDHM C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901124 432826612 /nfs/dbraw/zinc/82/66/12/432826612.db2.gz JBMBRIBERQDIAX-OTYXRUKQSA-N -1 3 311.303 3.194 20 10 DGCDHM C[C@H](N[C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997217 432827433 /nfs/dbraw/zinc/82/74/33/432827433.db2.gz YRAWUODMFQJFGU-ZANVPECISA-N -1 3 307.344 3.132 20 10 DGCDHM CC[C@H](NCc1ncccc1N(C)C)c1ccc(F)cc1[O-] ZINC000289749758 432972604 /nfs/dbraw/zinc/97/26/04/432972604.db2.gz LAVSRYCRNVMLPD-AWEZNQCLSA-N -1 3 303.381 3.233 20 10 DGCDHM CC[C@H](NCc1csc(COC)n1)c1ccc(F)cc1[O-] ZINC000289901895 432978772 /nfs/dbraw/zinc/97/87/72/432978772.db2.gz TYIVYGYMKLJCCO-ZDUSSCGKSA-N -1 3 310.394 3.375 20 10 DGCDHM CCOCc1nc([C@H](C)N[C@H](CC)c2ccc(C)cc2[O-])no1 ZINC000290183159 433008422 /nfs/dbraw/zinc/00/84/22/433008422.db2.gz NSGXJGGFGNQJBD-GXTWGEPZSA-N -1 3 319.405 3.422 20 10 DGCDHM CC[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(C)cc1[O-] ZINC000282902601 433638334 /nfs/dbraw/zinc/63/83/34/433638334.db2.gz WUIORZFRLINYIJ-CQSZACIVSA-N -1 3 302.422 3.288 20 10 DGCDHM CCCCN(Cc1nc([C@H](C)OC)no1)Cc1ccccc1[O-] ZINC000282545949 433616235 /nfs/dbraw/zinc/61/62/35/433616235.db2.gz WMMVTYZQFZEGGM-ZDUSSCGKSA-N -1 3 319.405 3.285 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1nccn1C(F)F ZINC000294258929 434062174 /nfs/dbraw/zinc/06/21/74/434062174.db2.gz NUOPKOSRAVADDC-UHFFFAOYSA-N -1 3 305.687 3.066 20 10 DGCDHM Cc1cc(Cl)cc(CN2CCn3c(nnc3C(C)C)C2)c1[O-] ZINC000369443293 434595031 /nfs/dbraw/zinc/59/50/31/434595031.db2.gz OKYBPAPIHDZNQA-UHFFFAOYSA-N -1 3 320.824 3.085 20 10 DGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1cccc(F)c1[O-] ZINC000272296064 534890153 /nfs/dbraw/zinc/89/01/53/534890153.db2.gz OWEJROBVDVNZFR-ZDUSSCGKSA-N -1 3 324.396 3.020 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCCN(CC(F)(F)F)CC1 ZINC000129474296 526362997 /nfs/dbraw/zinc/36/29/97/526362997.db2.gz RZDNUUJYPROPPC-UHFFFAOYSA-N -1 3 322.758 3.116 20 10 DGCDHM Cc1ncc(/C=C/C(=O)N2CCCc3cccc([O-])c32)s1 ZINC000182903967 527220158 /nfs/dbraw/zinc/22/01/58/527220158.db2.gz QAWIIWUJJSYFQH-BQYQJAHWSA-N -1 3 300.383 3.150 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@]1(CO)CCc2ccccc21 ZINC000365169230 527628040 /nfs/dbraw/zinc/62/80/40/527628040.db2.gz ISMNAEJUJYGBJS-QGZVFWFLSA-N -1 3 321.779 3.108 20 10 DGCDHM CC[C@@H]1CCCCN1C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000731843842 574560097 /nfs/dbraw/zinc/56/00/97/574560097.db2.gz YVBWQPVYNJWWJL-GOEBONIOSA-N -1 3 304.434 3.004 20 10 DGCDHM COc1cccc2sc(NC(=O)c3cc([O-])cs3)nc21 ZINC000731866172 574560613 /nfs/dbraw/zinc/56/06/13/574560613.db2.gz RGGHTYPDEDUBEI-UHFFFAOYSA-N -1 3 306.368 3.324 20 10 DGCDHM CCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000731873792 574560674 /nfs/dbraw/zinc/56/06/74/574560674.db2.gz USQYAIYUQDBTAI-JTQLQIEISA-N -1 3 315.398 3.314 20 10 DGCDHM COc1ccc(CN(C(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000731864190 574560689 /nfs/dbraw/zinc/56/06/89/574560689.db2.gz OEWBORHQQXBAKP-UHFFFAOYSA-N -1 3 303.383 3.267 20 10 DGCDHM COc1cccc([C@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000731867548 574561213 /nfs/dbraw/zinc/56/12/13/574561213.db2.gz WSZYJDNBWMEWJM-CQSZACIVSA-N -1 3 303.383 3.440 20 10 DGCDHM CN(Cc1ccc(Br)o1)C(=O)c1cc([O-])cs1 ZINC000731869012 574561462 /nfs/dbraw/zinc/56/14/62/574561462.db2.gz IAPJMTAPTUZVTP-UHFFFAOYSA-N -1 3 316.176 3.081 20 10 DGCDHM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc([O-])cs1 ZINC000731869105 574561475 /nfs/dbraw/zinc/56/14/75/574561475.db2.gz LVAICFYXMIOAFI-UHFFFAOYSA-N -1 3 313.338 3.288 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC(C(=O)c2ccccc2)CC1 ZINC000731868188 574561492 /nfs/dbraw/zinc/56/14/92/574561492.db2.gz QENKXCGZJIJORA-UHFFFAOYSA-N -1 3 315.394 3.189 20 10 DGCDHM CCN(CC)[C@H](CNC(=O)c1cc([O-])cs1)c1ccsc1 ZINC000731869246 574561497 /nfs/dbraw/zinc/56/14/97/574561497.db2.gz DMRBIJGFRBPTIZ-CYBMUJFWSA-N -1 3 324.471 3.328 20 10 DGCDHM CCCn1c(NC(=O)c2cc([O-])cs2)nc2ccccc21 ZINC000732264830 574569378 /nfs/dbraw/zinc/56/93/78/574569378.db2.gz YFCRAMHUDYDQDR-UHFFFAOYSA-N -1 3 301.371 3.466 20 10 DGCDHM Cc1nccc(-c2cccc(NC(=O)c3cc([O-])cs3)c2)n1 ZINC000732268091 574569463 /nfs/dbraw/zinc/56/94/63/574569463.db2.gz ASHYJYBTSQMFBC-UHFFFAOYSA-N -1 3 311.366 3.471 20 10 DGCDHM O=C(NCc1ccccc1C(F)(F)F)c1cc([O-])cs1 ZINC000732267524 574569526 /nfs/dbraw/zinc/56/95/26/574569526.db2.gz JHQUBVYBICTZNR-UHFFFAOYSA-N -1 3 301.289 3.403 20 10 DGCDHM Cc1ccc([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC000734358795 574659385 /nfs/dbraw/zinc/65/93/85/574659385.db2.gz OOFFBTXLRPKMQX-UHFFFAOYSA-N -1 3 308.428 3.069 20 10 DGCDHM CC[C@](NCc1ccc2c(c1)CCO2)(C(=O)[O-])c1ccccc1 ZINC000736919527 574810887 /nfs/dbraw/zinc/81/08/87/574810887.db2.gz AZMZRKPRCABYMS-LJQANCHMSA-N -1 3 311.381 3.101 20 10 DGCDHM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1cc([O-])cs1 ZINC000740129351 574924975 /nfs/dbraw/zinc/92/49/75/574924975.db2.gz WWORTFUKFVUROK-UHFFFAOYSA-N -1 3 320.370 3.115 20 10 DGCDHM O=C(NCc1coc(-c2ccccc2)n1)c1cc([O-])cs1 ZINC000743598931 575058018 /nfs/dbraw/zinc/05/80/18/575058018.db2.gz PAZWSICIUVXKBB-UHFFFAOYSA-N -1 3 300.339 3.039 20 10 DGCDHM C[C@@H](NCc1cc(-c2ccccc2)ccc1[O-])c1nncn1C ZINC000729680492 575260006 /nfs/dbraw/zinc/26/00/06/575260006.db2.gz QZXOKQLMUBUNEW-CYBMUJFWSA-N -1 3 308.385 3.039 20 10 DGCDHM CCOc1cccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000751536560 575789985 /nfs/dbraw/zinc/78/99/85/575789985.db2.gz ZEOIQFCYOVGKIA-GFCCVEGCSA-N -1 3 315.369 3.296 20 10 DGCDHM C[C@H]1C[C@@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847307 575929205 /nfs/dbraw/zinc/92/92/05/575929205.db2.gz ZQHVJGXOARJMGG-HZMBPMFUSA-N -1 3 302.330 3.307 20 10 DGCDHM CC(C)c1ncc(CN(C)Cc2cc(F)cc(F)c2[O-])cn1 ZINC000894660384 618418932 /nfs/dbraw/zinc/41/89/32/618418932.db2.gz NMGPSGNVPYZQSK-UHFFFAOYSA-N -1 3 307.344 3.216 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@@H](C)[S@@]1=O ZINC000840948244 618620967 /nfs/dbraw/zinc/62/09/67/618620967.db2.gz NKFWKVFMQUHATD-HTGLOVNISA-N -1 3 315.866 3.085 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1cnc(CC(F)(F)F)s1 ZINC000896637629 618939845 /nfs/dbraw/zinc/93/98/45/618939845.db2.gz FTSLSLAGWYTURS-UHFFFAOYSA-N -1 3 320.311 3.382 20 10 DGCDHM CCC(CC)n1nc(C(=O)NCc2c([O-])cccc2F)cc1C ZINC000928708754 619059522 /nfs/dbraw/zinc/05/95/22/619059522.db2.gz SMBOSHWQHJRBQA-UHFFFAOYSA-N -1 3 319.380 3.327 20 10 DGCDHM O=C(NCC[C@@H]1CCC(F)(F)C1)NCc1c([O-])cccc1F ZINC000898491931 619279713 /nfs/dbraw/zinc/27/97/13/619279713.db2.gz VQGXOXJWAACPSI-JTQLQIEISA-N -1 3 316.323 3.156 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCC(F)(F)C1 ZINC000922354139 621028615 /nfs/dbraw/zinc/02/86/15/621028615.db2.gz FWBYRNHVZZLBGL-JTQLQIEISA-N -1 3 316.323 3.156 20 10 DGCDHM C[C@@]1(CCNC(=O)NCc2c([O-])cccc2F)C[C@]1(F)Cl ZINC000923067273 621154165 /nfs/dbraw/zinc/15/41/65/621154165.db2.gz UNZIXCCVBFAOHI-ZIAGYGMSSA-N -1 3 318.751 3.035 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)C(F)(F)[C@H](C)C2)c1[O-] ZINC000859411807 621275395 /nfs/dbraw/zinc/27/53/95/621275395.db2.gz NHERVUJFKZDDMG-NXEZZACHSA-N -1 3 315.335 3.457 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN[C@H](C)c2ccn(C)n2)c1 ZINC000839193162 621347796 /nfs/dbraw/zinc/34/77/96/621347796.db2.gz ZCYLQKBDLPWABS-SNVBAGLBSA-N -1 3 324.222 3.047 20 10 DGCDHM CSc1cc(O)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000754732853 621528976 /nfs/dbraw/zinc/52/89/76/621528976.db2.gz TUZNBAJCULARPY-UHFFFAOYSA-N -1 3 305.355 3.086 20 10 DGCDHM [O-]c1ccc(F)cc1CN[C@@H](c1nccs1)C(F)(F)F ZINC000862431297 621588699 /nfs/dbraw/zinc/58/86/99/621588699.db2.gz HEYFNPZUILBEAS-JTQLQIEISA-N -1 3 306.284 3.381 20 10 DGCDHM C[C@@H](NCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756494000 621641976 /nfs/dbraw/zinc/64/19/76/621641976.db2.gz CMMGJUWSWJLEKW-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM CC(C)n1cc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575920 621650815 /nfs/dbraw/zinc/65/08/15/621650815.db2.gz RFCAOSBVUTYNAW-VXGBXAGGSA-N -1 3 318.377 3.490 20 10 DGCDHM COc1ccccc1[C@H](CO)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710186 621659750 /nfs/dbraw/zinc/65/97/50/621659750.db2.gz BUXUAQJUSYWULX-BMIGLBTASA-N -1 3 323.339 3.063 20 10 DGCDHM C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711864 621659796 /nfs/dbraw/zinc/65/97/96/621659796.db2.gz MUBOJBPTUODVBV-RFAUZJTJSA-N -1 3 311.303 3.194 20 10 DGCDHM COc1ccccc1[C@H](CO)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710187 621659874 /nfs/dbraw/zinc/65/98/74/621659874.db2.gz BUXUAQJUSYWULX-BONVTDFDSA-N -1 3 323.339 3.063 20 10 DGCDHM C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000756833379 621667147 /nfs/dbraw/zinc/66/71/47/621667147.db2.gz ZDULENFMIGTOOO-LLVKDONJSA-N -1 3 323.389 3.249 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2ccccn2)c1 ZINC000757891119 621745276 /nfs/dbraw/zinc/74/52/76/621745276.db2.gz VTBRJBZPSZOYJT-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM COc1ccc(C)cc1[C@@H](C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000120100715 621782167 /nfs/dbraw/zinc/78/21/67/621782167.db2.gz FWYKHGVEVPRXNV-GFCCVEGCSA-N -1 3 316.357 3.468 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2cc(Cl)cn2C)c1[O-] ZINC000120273759 621823400 /nfs/dbraw/zinc/82/34/00/621823400.db2.gz APGCTCLSQQCJQW-UHFFFAOYSA-N -1 3 324.783 3.358 20 10 DGCDHM COC(C)(C)c1nsc(NCc2c([O-])cccc2Cl)n1 ZINC000865296292 621892506 /nfs/dbraw/zinc/89/25/06/621892506.db2.gz UMDHWAYMYHGITA-UHFFFAOYSA-N -1 3 313.810 3.391 20 10 DGCDHM Cc1ccnc(N2CCN(Cc3c([O-])cccc3Cl)CC2)c1 ZINC000120909171 622047257 /nfs/dbraw/zinc/04/72/57/622047257.db2.gz FWCCUCINFVZFPC-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM Cc1cc(NCc2cccc(Br)c2[O-])nc(C)n1 ZINC000764934047 622233976 /nfs/dbraw/zinc/23/39/76/622233976.db2.gz IEJIAEOPOHJSGR-UHFFFAOYSA-N -1 3 308.179 3.174 20 10 DGCDHM [O-]c1c(Br)cccc1CNc1ncnc2[nH]ccc21 ZINC000764934044 622234069 /nfs/dbraw/zinc/23/40/69/622234069.db2.gz HYXJENIFJYSMJS-UHFFFAOYSA-N -1 3 319.162 3.038 20 10 DGCDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1CC(F)F ZINC000769514734 622536593 /nfs/dbraw/zinc/53/65/93/622536593.db2.gz NSCYVGSWRWXYGE-ZDUSSCGKSA-N -1 3 318.795 3.207 20 10 DGCDHM Cc1cc([O-])c(CN2CCOc3cc(N)ccc3C2)c(Cl)c1 ZINC000873218812 623078080 /nfs/dbraw/zinc/07/80/80/623078080.db2.gz RORIKEURTJYUDN-UHFFFAOYSA-N -1 3 318.804 3.331 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cnn(-c2ccccn2)c1 ZINC000124579578 623185732 /nfs/dbraw/zinc/18/57/32/623185732.db2.gz YEXTUPDOZDQJQK-UHFFFAOYSA-N -1 3 300.749 3.238 20 10 DGCDHM CC[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nccs1 ZINC000775025752 623217643 /nfs/dbraw/zinc/21/76/43/623217643.db2.gz WFNCOTDPSHOVAA-SNVBAGLBSA-N -1 3 323.374 3.006 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000775674437 623310858 /nfs/dbraw/zinc/31/08/58/623310858.db2.gz ARMWVOJQXXOQMM-CYBMUJFWSA-N -1 3 309.772 3.218 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccn(Cc2ccncc2)n1 ZINC000776249500 623401501 /nfs/dbraw/zinc/40/15/01/623401501.db2.gz ZZIJMNGJHDPSSY-UHFFFAOYSA-N -1 3 314.776 3.298 20 10 DGCDHM Cc1nn(C)cc1[C@@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC000876805891 623710806 /nfs/dbraw/zinc/71/08/06/623710806.db2.gz HOHZUFHHBZAHPN-AWEZNQCLSA-N -1 3 307.344 3.049 20 10 DGCDHM O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(Cl)cc1[O-] ZINC000779541773 623778235 /nfs/dbraw/zinc/77/82/35/623778235.db2.gz JVBWRNMMFLRFGL-KXFIGUGUSA-N -1 3 305.717 3.109 20 10 DGCDHM O=C(Nc1cc(-c2ccccc2)ns1)c1cccc(O)c1[O-] ZINC000790731078 625690834 /nfs/dbraw/zinc/69/08/34/625690834.db2.gz YZJAXDIYJTYSIF-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccnn2C2CCCCC2)c([O-])c1O ZINC000780922983 623999246 /nfs/dbraw/zinc/99/92/46/623999246.db2.gz MSCCUXPRLCQKAN-UHFFFAOYSA-N -1 3 315.373 3.360 20 10 DGCDHM CC(C)n1ncc2cc(NC(=O)c3cccc(O)c3[O-])ccc21 ZINC000790742198 625691193 /nfs/dbraw/zinc/69/11/93/625691193.db2.gz UAKXHGHJLRACRR-UHFFFAOYSA-N -1 3 311.341 3.281 20 10 DGCDHM CC[C@@H](CSc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790904248 625713639 /nfs/dbraw/zinc/71/36/39/625713639.db2.gz STEFYGHARSYPDY-LBPRGKRZSA-N -1 3 317.410 3.399 20 10 DGCDHM Cc1cc([C@H](NC(=O)c2cccc(O)c2[O-])C2CC2)ccc1F ZINC000790906366 625714020 /nfs/dbraw/zinc/71/40/20/625714020.db2.gz YVZFKJMFYVWTMG-MRXNPFEDSA-N -1 3 315.344 3.426 20 10 DGCDHM Cc1ccc(SC[C@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790936451 625718657 /nfs/dbraw/zinc/71/86/57/625718657.db2.gz DFCDSJVZWADONX-LBPRGKRZSA-N -1 3 317.410 3.317 20 10 DGCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000787420685 625008615 /nfs/dbraw/zinc/00/86/15/625008615.db2.gz KNMLHKLBSPVIPU-LDYMZIIASA-N -1 3 318.200 3.082 20 10 DGCDHM CC(C)c1nnc([C@H](C)NCc2c([O-])ccc(Cl)c2F)[nH]1 ZINC000790981874 625729037 /nfs/dbraw/zinc/72/90/37/625729037.db2.gz ZIWWYAARQOXQJE-QMMMGPOBSA-N -1 3 312.776 3.277 20 10 DGCDHM CC(C)c1nc([C@H](C)NCc2c([O-])ccc(Cl)c2F)n[nH]1 ZINC000790981874 625729043 /nfs/dbraw/zinc/72/90/43/625729043.db2.gz ZIWWYAARQOXQJE-QMMMGPOBSA-N -1 3 312.776 3.277 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](CO)c1ccsc1 ZINC000790989457 625731929 /nfs/dbraw/zinc/73/19/29/625731929.db2.gz DCRVKBDQFMVYFQ-NSHDSACASA-N -1 3 301.770 3.069 20 10 DGCDHM CC[C@@H](C)c1nnc([C@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883102167 625928164 /nfs/dbraw/zinc/92/81/64/625928164.db2.gz IJCDXUHPEAMFDH-BDAKNGLRSA-N -1 3 310.348 3.153 20 10 DGCDHM CC[C@@H](C)c1nc([C@H](C)NCc2cc(F)cc(F)c2[O-])n[nH]1 ZINC000883102167 625928168 /nfs/dbraw/zinc/92/81/68/625928168.db2.gz IJCDXUHPEAMFDH-BDAKNGLRSA-N -1 3 310.348 3.153 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1ccc2c(n1)CCCC2 ZINC000883104862 625928466 /nfs/dbraw/zinc/92/84/66/625928466.db2.gz OWKUPDJCRSGLJJ-UHFFFAOYSA-N -1 3 304.340 3.234 20 10 DGCDHM CC(C)C1(c2ccccc2)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000839888509 626327532 /nfs/dbraw/zinc/32/75/32/626327532.db2.gz VYACFZPOFQBXTE-UHFFFAOYSA-N -1 3 311.381 3.148 20 10 DGCDHM C[C@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827158 627103691 /nfs/dbraw/zinc/10/36/91/627103691.db2.gz XHGLWRRKEDDJNA-VHSXEESVSA-N -1 3 304.217 3.292 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCCc3n[nH]cc32)c1 ZINC000811497240 627281699 /nfs/dbraw/zinc/28/16/99/627281699.db2.gz LAFGHLLTVBKTDV-UHFFFAOYSA-N -1 3 322.206 3.139 20 10 DGCDHM [O-]c1ccc2oc3c(c2c1CN1CCn2cncc2C1)CCCC3 ZINC000811787554 627321572 /nfs/dbraw/zinc/32/15/72/627321572.db2.gz OBDSQLMTGORLQW-UHFFFAOYSA-N -1 3 323.396 3.230 20 10 DGCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2ccccn21 ZINC000816530433 627803312 /nfs/dbraw/zinc/80/33/12/627803312.db2.gz ICZSIVOLGZVDSQ-SECBINFHSA-N -1 3 320.755 3.078 20 10 DGCDHM Cc1ccc2nc(CNCc3cc(Cl)c(F)cc3[O-])cn2c1 ZINC000816548959 627805718 /nfs/dbraw/zinc/80/57/18/627805718.db2.gz YMCQQMZYGIIRTH-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000816593848 627812834 /nfs/dbraw/zinc/81/28/34/627812834.db2.gz GURQCLIRZONQCQ-CYBMUJFWSA-N -1 3 322.767 3.233 20 10 DGCDHM CC(C)[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCCO1 ZINC000816675154 627823774 /nfs/dbraw/zinc/82/37/74/627823774.db2.gz UEMVGNJHGBXSJE-CQSZACIVSA-N -1 3 301.789 3.432 20 10 DGCDHM O=C(NCc1ccc(C2CC2)cc1F)c1cccc(O)c1[O-] ZINC000816790542 627831011 /nfs/dbraw/zinc/83/10/11/627831011.db2.gz DWUUJZFAVOZLAW-UHFFFAOYSA-N -1 3 301.317 3.044 20 10 DGCDHM C[C@@H](NCc1cccc2c1OCC2)c1cc(F)cc(F)c1[O-] ZINC000927089524 628011882 /nfs/dbraw/zinc/01/18/82/628011882.db2.gz CMWOXBHJVGRYHP-SNVBAGLBSA-N -1 3 305.324 3.456 20 10 DGCDHM COC(=O)c1cnc([C@@H](C)N[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000818355876 628018110 /nfs/dbraw/zinc/01/81/10/628018110.db2.gz KJRJERYOXDVQRX-RKDXNWHRSA-N -1 3 324.377 3.186 20 10 DGCDHM Cn1ccnc1[C@H]1N(Cc2cc(Cl)ccc2[O-])CC1(C)C ZINC000824620362 628678056 /nfs/dbraw/zinc/67/80/56/628678056.db2.gz LOEIWGKDWBPWTH-CQSZACIVSA-N -1 3 305.809 3.362 20 10 DGCDHM CC1(C)C[C@H](O)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000825090955 628727057 /nfs/dbraw/zinc/72/70/57/628727057.db2.gz OSIANHGDVKMJTA-SNVBAGLBSA-N -1 3 301.789 3.168 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])[C@H](C)[C@H](C)O1 ZINC000825634623 628780011 /nfs/dbraw/zinc/78/00/11/628780011.db2.gz PAXHMMUAVVHZFN-MXWKQRLJSA-N -1 3 314.223 3.152 20 10 DGCDHM COc1ccc(O)c([C@H](C)N[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733813 629644295 /nfs/dbraw/zinc/64/42/95/629644295.db2.gz RIDQRZUBHPJOPE-VHSXEESVSA-N -1 3 305.330 3.104 20 10 DGCDHM O=C([O-])N[C@@H]1C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159709 629674677 /nfs/dbraw/zinc/67/46/77/629674677.db2.gz WAZQLNNIZWLSAM-IAGOWNOFSA-N -1 3 324.380 3.165 20 10 DGCDHM Cc1cc([O-])c(CN2CC[S@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950310 630383241 /nfs/dbraw/zinc/38/32/41/630383241.db2.gz IUJSIFKVRCTCPC-FQEVSTJZSA-N -1 3 315.866 3.087 20 10 DGCDHM Cc1cc([O-])c(CNCc2nn(C)cc2Cl)c(Cl)c1 ZINC000840950124 630383359 /nfs/dbraw/zinc/38/33/59/630383359.db2.gz FJVPRNACGHCGSS-UHFFFAOYSA-N -1 3 300.189 3.031 20 10 DGCDHM C[C@@H](N[C@@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761655 630463366 /nfs/dbraw/zinc/46/33/66/630463366.db2.gz QQNQVGWETGHRSH-BDJLRTHQSA-N -1 3 314.341 3.223 20 10 DGCDHM C[C@H](N[C@@H]1COCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000841761657 630463410 /nfs/dbraw/zinc/46/34/10/630463410.db2.gz QQNQVGWETGHRSH-MEDUHNTESA-N -1 3 314.341 3.223 20 10 DGCDHM C[C@]1(c2cccc(F)c2)CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000846317043 631226918 /nfs/dbraw/zinc/22/69/18/631226918.db2.gz GHPGIGMMFPWBSY-SFHVURJKSA-N -1 3 315.344 3.041 20 10 DGCDHM Cn1ncc(C2CC2)c1CNCc1c([O-])ccc(Cl)c1F ZINC000850379888 632132898 /nfs/dbraw/zinc/13/28/98/632132898.db2.gz ZRVWSHMXQYLZPZ-UHFFFAOYSA-N -1 3 309.772 3.085 20 10 DGCDHM C[C@H](O)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421571 632147858 /nfs/dbraw/zinc/14/78/58/632147858.db2.gz YTUDSRGPXOKKBV-MGPLVRAMSA-N -1 3 309.768 3.396 20 10 DGCDHM O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(O)c1[O-] ZINC000186858619 660577492 /nfs/dbraw/zinc/57/74/92/660577492.db2.gz YLCTWFXGZYPODW-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)cc1C ZINC000794366650 661080933 /nfs/dbraw/zinc/08/09/33/661080933.db2.gz QYMVGCGMHHXIMM-UHFFFAOYSA-N -1 3 301.342 3.284 20 10 DGCDHM C[C@H](Nc1cnn(Cc2ccncc2)c1)c1ccc(F)cc1[O-] ZINC000186389401 656131585 /nfs/dbraw/zinc/13/15/85/656131585.db2.gz DNPLCUDNNAPTOJ-LBPRGKRZSA-N -1 3 312.348 3.344 20 10 DGCDHM O=C(Nc1nc(-c2ccco2)cs1)c1cccc(O)c1[O-] ZINC000186941650 656134734 /nfs/dbraw/zinc/13/47/34/656134734.db2.gz DTDALLSXOVLMOF-UHFFFAOYSA-N -1 3 302.311 3.067 20 10 DGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC(F)F ZINC000193070912 656184371 /nfs/dbraw/zinc/18/43/71/656184371.db2.gz MRPNNRMZJYEAJZ-UHFFFAOYSA-N -1 3 309.268 3.260 20 10 DGCDHM C[C@H]1SCCN(Cc2cccc(Br)c2[O-])[C@@H]1C ZINC000093501022 656356337 /nfs/dbraw/zinc/35/63/37/656356337.db2.gz MBRMPMYUBIWGCC-NXEZZACHSA-N -1 3 316.264 3.481 20 10 DGCDHM CCOc1cc(F)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182123423 660034583 /nfs/dbraw/zinc/03/45/83/660034583.db2.gz LVHYVTQDPFAEOD-UHFFFAOYSA-N -1 3 305.305 3.196 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(F)cc2NC2CC2)c([O-])c1O ZINC000182603765 660067169 /nfs/dbraw/zinc/06/71/69/660067169.db2.gz GKIPOEFVBHUCIO-UHFFFAOYSA-N -1 3 316.332 3.372 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2OCC(F)F)c([O-])c1O ZINC000182809976 660080272 /nfs/dbraw/zinc/08/02/72/660080272.db2.gz LQHIZWGDBXMSOG-UHFFFAOYSA-N -1 3 323.295 3.302 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(C)C[C@H]2CCCCO2)c1[O-] ZINC000048949093 661897720 /nfs/dbraw/zinc/89/77/20/661897720.db2.gz YZGOBBYNKBZSSV-CQSZACIVSA-N -1 3 311.809 3.249 20 10 DGCDHM C[C@H](N1CCN(Cc2cc(Cl)ccc2[O-])CC1)C(F)(F)F ZINC000093883012 662360804 /nfs/dbraw/zinc/36/08/04/662360804.db2.gz ZQNGFRFNVRDGRJ-JTQLQIEISA-N -1 3 322.758 3.114 20 10 DGCDHM Clc1cnc(SCc2ccc(-c3nnn[n-]3)s2)s1 ZINC001592539428 1192616032 /nfs/dbraw/zinc/61/60/32/1192616032.db2.gz XYZLJGMOBFKEBE-UHFFFAOYSA-N -1 3 315.836 3.330 20 10 DGCDHM CN1Cc2c(cccc2NCc2c([O-])cccc2Cl)C1=O ZINC001620968228 1192696122 /nfs/dbraw/zinc/69/61/22/1192696122.db2.gz QHQKFITURFXRMU-UHFFFAOYSA-N -1 3 302.761 3.243 20 10 DGCDHM COc1cc(C)c(C)cc1NC(=O)NCc1c([O-])cccc1F ZINC001671635631 1176765241 /nfs/dbraw/zinc/76/52/41/1176765241.db2.gz DZPUUNGYLIOHGH-UHFFFAOYSA-N -1 3 318.348 3.478 20 10 DGCDHM Cc1cc(N(C)C)ccc1CN1CCc2ccc(C(=O)[O-])cc2C1 ZINC001600236334 1192817124 /nfs/dbraw/zinc/81/71/24/1192817124.db2.gz DZLYWASNPWVVQO-UHFFFAOYSA-N -1 3 324.424 3.318 20 10 DGCDHM Cc1ccc(C[NH2+][C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001600419870 1192850195 /nfs/dbraw/zinc/85/01/95/1192850195.db2.gz QLTGRVVSDVALJB-PBHICJAKSA-N -1 3 313.397 3.122 20 10 DGCDHM NC(=O)CCc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC001333981251 1178702534 /nfs/dbraw/zinc/70/25/34/1178702534.db2.gz JUJHVLOUIDZJOY-UHFFFAOYSA-N -1 3 304.777 3.076 20 10 DGCDHM C[C@@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC001604351284 1193068076 /nfs/dbraw/zinc/06/80/76/1193068076.db2.gz ZJMWOGOGQBZTJD-GFCCVEGCSA-N -1 3 316.376 3.441 20 10 DGCDHM C[C@H](NCc1ccc(C(=O)[O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC001604351285 1193069034 /nfs/dbraw/zinc/06/90/34/1193069034.db2.gz ZJMWOGOGQBZTJD-LBPRGKRZSA-N -1 3 316.376 3.441 20 10 DGCDHM CCCN1Cc2cccc(NC(=O)c3cccc(O)c3[O-])c2C1 ZINC001443084900 1182093810 /nfs/dbraw/zinc/09/38/10/1182093810.db2.gz ADQGISOREJTEKX-UHFFFAOYSA-N -1 3 312.369 3.076 20 10 DGCDHM C[C@](Cc1ccccc1)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001469072505 1183381936 /nfs/dbraw/zinc/38/19/36/1183381936.db2.gz FQLGTJILYYQBOT-LJQANCHMSA-N -1 3 311.381 3.239 20 10 DGCDHM Cc1ccccc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001470945373 1183527155 /nfs/dbraw/zinc/52/71/55/1183527155.db2.gz DMQLYOOSSOUPSS-GFCCVEGCSA-N -1 3 302.349 3.400 20 10 DGCDHM O=C([O-])[C@@]1(F)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC001608575686 1193294742 /nfs/dbraw/zinc/29/47/42/1193294742.db2.gz NEIBQHBRKPQLTD-GOSISDBHSA-N -1 3 315.344 3.058 20 10 DGCDHM O=C([O-])[C@@]1(F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC001608575686 1193294745 /nfs/dbraw/zinc/29/47/45/1193294745.db2.gz NEIBQHBRKPQLTD-GOSISDBHSA-N -1 3 315.344 3.058 20 10 DGCDHM C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779810 1193356376 /nfs/dbraw/zinc/35/63/76/1193356376.db2.gz OQTAOUVHEMJNQR-SNVBAGLBSA-N -1 3 321.323 3.262 20 10 DGCDHM COCc1cccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001610272421 1193380673 /nfs/dbraw/zinc/38/06/73/1193380673.db2.gz OWUNKQQZHOABPL-GFCCVEGCSA-N -1 3 315.369 3.088 20 10 DGCDHM Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610574811 1193399357 /nfs/dbraw/zinc/39/93/57/1193399357.db2.gz HZFBHKFJSAUEDR-NXEZZACHSA-N -1 3 318.373 3.150 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)CCCC2 ZINC001611193654 1193426358 /nfs/dbraw/zinc/42/63/58/1193426358.db2.gz BNKAVOQXKINEIE-GFCCVEGCSA-N -1 3 311.381 3.468 20 10 DGCDHM CSc1ccc([O-])c(C(=O)N(C)Cc2ccccc2O)c1 ZINC001545502829 1188431844 /nfs/dbraw/zinc/43/18/44/1188431844.db2.gz BVINKAXIKQAXEN-UHFFFAOYSA-N -1 3 303.383 3.092 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c[nH]c2cccc(F)c12 ZINC001558454747 1189126059 /nfs/dbraw/zinc/12/60/59/1189126059.db2.gz LODPJBKSJMMSDL-UHFFFAOYSA-N -1 3 302.280 3.082 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](C(C)(C)C)CC2)c1[O-] ZINC001560235384 1189295400 /nfs/dbraw/zinc/29/54/00/1189295400.db2.gz JBQMJPSGLPJIAY-MRXNPFEDSA-N -1 3 323.408 3.371 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCOc2cc(O)ccc2C1 ZINC001560826568 1189389046 /nfs/dbraw/zinc/38/90/46/1189389046.db2.gz QTZLKOOGOQSNLV-UHFFFAOYSA-N -1 3 305.761 3.146 20 10 DGCDHM O=[N+]([O-])c1ccc(CNCc2cccc(Cl)c2[O-])c(F)c1 ZINC001561044159 1189425523 /nfs/dbraw/zinc/42/55/23/1189425523.db2.gz UHWIRMSCGBNAOO-UHFFFAOYSA-N -1 3 310.712 3.383 20 10 DGCDHM Cn1cc([C@@H]2CSCCN2Cc2ccc(Cl)cc2[O-])cn1 ZINC001621307878 1193828319 /nfs/dbraw/zinc/82/83/19/1193828319.db2.gz WSDXSNHYIDOIKY-AWEZNQCLSA-N -1 3 323.849 3.069 20 10 DGCDHM C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001631953746 1194363596 /nfs/dbraw/zinc/36/35/96/1194363596.db2.gz HVAVAACVYXSOIL-QWRGUYRKSA-N -1 3 315.344 3.385 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cc(Cl)ccc1F ZINC001632325910 1194382693 /nfs/dbraw/zinc/38/26/93/1194382693.db2.gz CKNFOJDNZAUUBN-MRVPVSSYSA-N -1 3 309.724 3.381 20 10 DGCDHM Cc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2[O-])c(C)c1 ZINC001636533619 1194619228 /nfs/dbraw/zinc/61/92/28/1194619228.db2.gz LFDLQASUKCUZDN-UHFFFAOYSA-N -1 3 313.397 3.422 20 10 DGCDHM O=C(NC1(c2c(F)cccc2F)CCC1)c1cccc(O)c1[O-] ZINC001642101172 1194888345 /nfs/dbraw/zinc/88/83/45/1194888345.db2.gz XSEQIGZUOFVRKJ-UHFFFAOYSA-N -1 3 319.307 3.185 20 10 DGCDHM CSc1cc(C(=O)NCc2c([O-])cccc2F)ccc1F ZINC001646035219 1195211222 /nfs/dbraw/zinc/21/12/22/1195211222.db2.gz SDMFUWYJNIEOKS-UHFFFAOYSA-N -1 3 309.337 3.322 20 10 DGCDHM CN(Cc1ncc(Cl)n1C)Cc1ccc(Cl)cc1[O-] ZINC001652015389 1195536310 /nfs/dbraw/zinc/53/63/10/1195536310.db2.gz OGTQFNXEKNHGMC-UHFFFAOYSA-N -1 3 300.189 3.065 20 10 DGCDHM O=C(/C=C/c1ccc2[nH]ccc2c1)NCc1c([O-])cccc1F ZINC001652297918 1195577094 /nfs/dbraw/zinc/57/70/94/1195577094.db2.gz BIWFNPKDKHIKDR-FNORWQNLSA-N -1 3 310.328 3.342 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNc1cccc2c1OCC[C@H]2O ZINC001657681707 1196169529 /nfs/dbraw/zinc/16/95/29/1196169529.db2.gz FTOCEPYUPCBARH-CQSZACIVSA-N -1 3 305.761 3.474 20 10 DGCDHM CN(C)C(=O)Nc1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001658128702 1196215243 /nfs/dbraw/zinc/21/52/43/1196215243.db2.gz KRDYKVIYLDURTA-UHFFFAOYSA-N -1 3 321.327 3.376 20 10 DGCDHM COC[C@H](NCc1cc(F)c(F)cc1[O-])c1ccc(F)cc1 ZINC001659082331 1196341608 /nfs/dbraw/zinc/34/16/08/1196341608.db2.gz VUPGYBKKSUWQID-HNNXBMFYSA-N -1 3 311.303 3.287 20 10 DGCDHM COc1ccc(CNCc2cccc(Br)c2[O-])o1 ZINC001659105904 1196345264 /nfs/dbraw/zinc/34/52/64/1196345264.db2.gz AZIKSDQKCRZTMG-UHFFFAOYSA-N -1 3 312.163 3.046 20 10 DGCDHM O=C1CC[C@@H](c2cccc(NCc3cc(F)c(F)cc3[O-])c2)N1 ZINC001659464923 1196385672 /nfs/dbraw/zinc/38/56/72/1196385672.db2.gz BRDWEBZOQUQKOL-HNNXBMFYSA-N -1 3 318.323 3.234 20 10 DGCDHM C[C@H](O)[C@H](NCc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585948 1196397524 /nfs/dbraw/zinc/39/75/24/1196397524.db2.gz FYMDOMFYAUCWPE-FVMDXXJSSA-N -1 3 311.303 3.021 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1Cc2ccc(O)cc2C1 ZINC001659694168 1196406221 /nfs/dbraw/zinc/40/62/21/1196406221.db2.gz ZIWLEFOVWNIZTP-UHFFFAOYSA-N -1 3 320.186 3.376 20 10 DGCDHM Cn1c(CNCc2c([O-])cccc2F)nc2cc(Cl)ccc21 ZINC001660046962 1196440321 /nfs/dbraw/zinc/44/03/21/1196440321.db2.gz CHDLVJITYWFDAH-UHFFFAOYSA-N -1 3 319.767 3.361 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@H]1CCOc2c(F)cccc21 ZINC001664311092 1196988905 /nfs/dbraw/zinc/98/89/05/1196988905.db2.gz VDTNKAQIBUUBJJ-AWEZNQCLSA-N -1 3 309.287 3.423 20 10 DGCDHM C[C@]1(C(F)(F)F)CN(Cc2ccc(Cl)cc2[O-])CCO1 ZINC001665493632 1197143748 /nfs/dbraw/zinc/14/37/48/1197143748.db2.gz HVMKZVQUTZREGJ-GFCCVEGCSA-N -1 3 309.715 3.199 20 10 DGCDHM O=C(NC/C=C\c1ccccc1)NCc1c([O-])cccc1F ZINC001684421737 1199383792 /nfs/dbraw/zinc/38/37/92/1199383792.db2.gz RLWMRTDOBNKCSQ-YVMONPNESA-N -1 3 300.333 3.044 20 10 DGCDHM CC(C)c1[nH]c(CNCc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC001591918498 976384912 /nfs/dbraw/zinc/38/49/12/976384912.db2.gz TUYBPWLENHDCGL-UHFFFAOYSA-N -1 3 315.417 3.192 20 10 DGCDHM CCC(CC)(CC(=O)[O-])[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC001595057353 979299446 /nfs/dbraw/zinc/29/94/46/979299446.db2.gz QCBFHVIVIRBJDM-UHFFFAOYSA-N -1 3 315.797 3.177 20 10 DGCDHM CC[C@@H](C)C[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001594954322 982685999 /nfs/dbraw/zinc/68/59/99/982685999.db2.gz XUQHDADMHXJFKP-BXKDBHETSA-N -1 3 315.797 3.033 20 10 DGCDHM CCC[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595888236 982917232 /nfs/dbraw/zinc/91/72/32/982917232.db2.gz KWUYUPJUVPPZNT-MDZDMXLPSA-N -1 3 315.369 3.495 20 10 DGCDHM CCC[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595888236 982917237 /nfs/dbraw/zinc/91/72/37/982917237.db2.gz KWUYUPJUVPPZNT-MDZDMXLPSA-N -1 3 315.369 3.495 20 10 DGCDHM C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225807 994349908 /nfs/dbraw/zinc/34/99/08/994349908.db2.gz YJQAKCYUCLTLPA-LRDDRELGSA-N -1 3 319.401 3.090 20 10 DGCDHM C[C@@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593240708 994430823 /nfs/dbraw/zinc/43/08/23/994430823.db2.gz ROKYGDGTACLLSJ-XIKOKIGWSA-N -1 3 321.417 3.072 20 10 DGCDHM C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241198 994436031 /nfs/dbraw/zinc/43/60/31/994436031.db2.gz XHRHFKRBJNSCFO-VIFPVBQESA-N -1 3 301.333 3.422 20 10 DGCDHM COc1cc(C)c(C[NH2+]C[C@H](C(=O)[O-])C2CCCCC2)c([O-])c1 ZINC001599391229 997039796 /nfs/dbraw/zinc/03/97/96/997039796.db2.gz MKZXTNAAFLRHBZ-INIZCTEOSA-N -1 3 321.417 3.080 20 10 DGCDHM COCC[C@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001599219136 997635770 /nfs/dbraw/zinc/63/57/70/997635770.db2.gz WPBWLDHDZBGMPD-FZMZJTMJSA-N -1 3 319.357 3.112 20 10 DGCDHM O=C(CSCc1cccs1)NCc1c([O-])cccc1F ZINC001638862532 1194741599 /nfs/dbraw/zinc/74/15/99/1194741599.db2.gz AIUAYFFXEGQMBR-UHFFFAOYSA-N -1 3 311.403 3.142 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2ccno2)c1 ZINC001236671458 1099737409 /nfs/dbraw/zinc/73/74/09/1099737409.db2.gz VNMPVSSVKUGPRS-UHFFFAOYSA-N -1 3 311.179 3.083 20 10 DGCDHM COC(=O)[C@@H](C)c1cccc(NCc2cccc(F)c2[O-])c1 ZINC001182332620 1083691898 /nfs/dbraw/zinc/69/18/98/1083691898.db2.gz FPAMWRQIJDAPFT-NSHDSACASA-N -1 3 303.333 3.420 20 10 DGCDHM CC(C)[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC001203645722 1084701730 /nfs/dbraw/zinc/70/17/30/1084701730.db2.gz NJKBZJSQBPZBEC-CYBMUJFWSA-N -1 3 314.223 3.012 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](CC(F)(F)F)C1 ZINC000698221358 1087547537 /nfs/dbraw/zinc/54/75/37/1087547537.db2.gz LVNCWFWEFWSBIF-NSHDSACASA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(OC(C)C)c2)c([O-])c1O ZINC001158904836 1088094554 /nfs/dbraw/zinc/09/45/54/1088094554.db2.gz TXKKAUOQEXOUBL-UHFFFAOYSA-N -1 3 301.342 3.446 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(F)c2occc21 ZINC001156177578 1089421710 /nfs/dbraw/zinc/42/17/10/1089421710.db2.gz KWJHWHWKRSGMKR-UHFFFAOYSA-N -1 3 303.264 3.347 20 10 DGCDHM CCOc1cc(NCc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC001164186081 1090366424 /nfs/dbraw/zinc/36/64/24/1090366424.db2.gz YZLNQAYOTSOUFB-UHFFFAOYSA-N -1 3 306.293 3.450 20 10 DGCDHM Cc1cc2c(cn1)CN(Cc1cc(Br)ccc1[O-])C2 ZINC001203646080 1090772822 /nfs/dbraw/zinc/77/28/22/1090772822.db2.gz ZSYPMHXEWIXUCK-UHFFFAOYSA-N -1 3 319.202 3.374 20 10 DGCDHM COc1ccc2c(c1)CCCCN2C(=O)c1cccc(O)c1[O-] ZINC001295182395 1091521848 /nfs/dbraw/zinc/52/18/48/1091521848.db2.gz JKUAQTJQUKOZTH-UHFFFAOYSA-N -1 3 313.353 3.090 20 10 DGCDHM CC(C)(O)CN(Cc1ccccc1)Cc1c([O-])c(F)ccc1F ZINC001139687247 1091642739 /nfs/dbraw/zinc/64/27/39/1091642739.db2.gz JRLHMDDTMLVXKT-UHFFFAOYSA-N -1 3 321.367 3.444 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001140060113 1091753673 /nfs/dbraw/zinc/75/36/73/1091753673.db2.gz LHHZSZWYOCRVMT-UHFFFAOYSA-N -1 3 323.371 3.411 20 10 DGCDHM CC(=O)[C@H]1CCCCN1Cc1c([O-])cccc1Br ZINC001140103952 1091768549 /nfs/dbraw/zinc/76/85/49/1091768549.db2.gz VNQNGDRDGZVHDI-CYBMUJFWSA-N -1 3 312.207 3.098 20 10 DGCDHM Cc1cnccc1O[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140586033 1091921244 /nfs/dbraw/zinc/92/12/44/1091921244.db2.gz ZTQBOZNOKNUYMY-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001140585235 1091921817 /nfs/dbraw/zinc/92/18/17/1091921817.db2.gz AMWPRBPLALDJBY-CQSZACIVSA-N -1 3 323.314 3.463 20 10 DGCDHM CC(C)(CNC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC001142009651 1092386130 /nfs/dbraw/zinc/38/61/30/1092386130.db2.gz RDRJIMMEMARFGO-UHFFFAOYSA-N -1 3 319.788 3.459 20 10 DGCDHM Cc1ccc(N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142502733 1092489775 /nfs/dbraw/zinc/48/97/75/1092489775.db2.gz VWLKJXWWYBUOAG-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM O=C(c1ccccc1)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530956 1092494581 /nfs/dbraw/zinc/49/45/81/1092494581.db2.gz MODBASDAHSNMRL-ZDUSSCGKSA-N -1 3 317.335 3.375 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCOC[C@@H]1C1CCCCC1 ZINC001142531447 1092496911 /nfs/dbraw/zinc/49/69/11/1092496911.db2.gz XRWDAUHXILWCGB-MRXNPFEDSA-N -1 3 311.372 3.452 20 10 DGCDHM [O-]c1c(CN2CCNCC(F)(F)C2)cccc1-c1ccccc1 ZINC001211347580 1093467137 /nfs/dbraw/zinc/46/71/37/1093467137.db2.gz PYKYYRLBDMRYFE-UHFFFAOYSA-N -1 3 318.367 3.100 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001215145982 1093927277 /nfs/dbraw/zinc/92/72/77/1093927277.db2.gz VMIWKNJJDFODDI-UHFFFAOYSA-N -1 3 310.309 3.356 20 10 DGCDHM Cc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c(Cl)c1 ZINC001215325280 1093960522 /nfs/dbraw/zinc/96/05/22/1093960522.db2.gz JWGLCYJKHXHTRK-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1cccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1Cl ZINC001215325393 1093960859 /nfs/dbraw/zinc/96/08/59/1093960859.db2.gz QIMYIOVGBCPZST-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])[C@H](C)CO1 ZINC000403839924 1094187248 /nfs/dbraw/zinc/18/72/48/1094187248.db2.gz SGZROYZOKZFVJK-MFKMUULPSA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2-c2cc[nH]n2)c([O-])c1O ZINC001143827841 1095394857 /nfs/dbraw/zinc/39/48/57/1095394857.db2.gz DJMZEYJVHMNWBU-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM O=C(Nc1cc(Cl)cc2[nH]ccc21)c1cccc(O)c1[O-] ZINC001148218401 1096327371 /nfs/dbraw/zinc/32/73/71/1096327371.db2.gz AOCALHSZTCAZRW-UHFFFAOYSA-N -1 3 302.717 3.485 20 10 DGCDHM CCN(Cc1cccc(F)c1F)C(=O)c1cccc(O)c1[O-] ZINC001148218414 1096327669 /nfs/dbraw/zinc/32/76/69/1096327669.db2.gz BSVSMMRWQIKARY-UHFFFAOYSA-N -1 3 307.296 3.038 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cc2scnc21 ZINC001148219392 1096328000 /nfs/dbraw/zinc/32/80/00/1096328000.db2.gz XJQVXIALLRSRHK-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM CCc1cccc(CC)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148585929 1096406921 /nfs/dbraw/zinc/40/69/21/1096406921.db2.gz FFZJMPYOYRBXAY-UHFFFAOYSA-N -1 3 301.342 3.181 20 10 DGCDHM CC[C@H](C)C1CCC(NC(=O)c2cc(O)c([O-])c(O)c2)CC1 ZINC001148590312 1096408530 /nfs/dbraw/zinc/40/85/30/1096408530.db2.gz HJUNBFDIQJNZGM-ZBOXLXRLSA-N -1 3 307.390 3.138 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001231455879 1097752961 /nfs/dbraw/zinc/75/29/61/1097752961.db2.gz WATUEOBGYWCCBE-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001231455879 1097752966 /nfs/dbraw/zinc/75/29/66/1097752966.db2.gz WATUEOBGYWCCBE-AWEZNQCLSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CCSc3ccccc3C2)c([O-])c1 ZINC001231453829 1097753213 /nfs/dbraw/zinc/75/32/13/1097753213.db2.gz KWALVEUGSVVJKV-UHFFFAOYSA-N -1 3 315.394 3.198 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CCSc3ccccc3C2)c([O-])c1 ZINC001231453829 1097753216 /nfs/dbraw/zinc/75/32/16/1097753216.db2.gz KWALVEUGSVVJKV-UHFFFAOYSA-N -1 3 315.394 3.198 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@H](c3ccncc3)C2)cc1Cl ZINC001231869953 1097869422 /nfs/dbraw/zinc/86/94/22/1097869422.db2.gz BVQNDPNBBKNLPA-QGZVFWFLSA-N -1 3 318.804 3.323 20 10 DGCDHM C[C@]1(CO)CC(F)(F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231879487 1097877832 /nfs/dbraw/zinc/87/78/32/1097877832.db2.gz FFKDQZQWTMKRJL-MRXNPFEDSA-N -1 3 307.340 3.137 20 10 DGCDHM C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C[C@@]1(O)C(F)(F)F ZINC001231909950 1097888513 /nfs/dbraw/zinc/88/85/13/1097888513.db2.gz UIRXCYTWCUDICZ-RNCFNFMXSA-N -1 3 323.742 3.181 20 10 DGCDHM [O-]c1cc(O)c(CN2CC3(C2)CC(F)(F)CS3)cc1Cl ZINC001232262792 1097984860 /nfs/dbraw/zinc/98/48/60/1097984860.db2.gz QGONGFVUBYCKTH-UHFFFAOYSA-N -1 3 321.776 3.078 20 10 DGCDHM COc1cc([O-])c(CN2CC(Oc3ccccc3)C2)cc1Cl ZINC001232264216 1097987379 /nfs/dbraw/zinc/98/73/79/1097987379.db2.gz GEMZJGSALYGEEB-UHFFFAOYSA-N -1 3 319.788 3.317 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ncccc3C2)cc1Cl ZINC001232270220 1097988160 /nfs/dbraw/zinc/98/81/60/1097988160.db2.gz YTVXSQPSRNXQPK-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM COc1cc([O-])c(CN2CCC(F)(F)C2)cc1Br ZINC001233134983 1098234989 /nfs/dbraw/zinc/23/49/89/1098234989.db2.gz ITBWXEZZXVNSJH-UHFFFAOYSA-N -1 3 322.149 3.004 20 10 DGCDHM O=C1CCC2(CC1)CCN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335546 1098291415 /nfs/dbraw/zinc/29/14/15/1098291415.db2.gz AHBCZFBDIJAAPR-UHFFFAOYSA-N -1 3 309.356 3.396 20 10 DGCDHM [O-]c1c(CN2CC3(C2)CCOCC3)cccc1C(F)(F)F ZINC001233418253 1098325967 /nfs/dbraw/zinc/32/59/67/1098325967.db2.gz YYRQRXPOYLSRNR-UHFFFAOYSA-N -1 3 301.308 3.023 20 10 DGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@]12C[C@H]1CCCC2 ZINC001234447719 1098556617 /nfs/dbraw/zinc/55/66/17/1098556617.db2.gz SEJHRCQTHDCKCD-JKDFXYPNSA-N -1 3 306.381 3.299 20 10 DGCDHM CN(Cc1cccc(-c2ccccc2)c1[O-])Cc1ncccn1 ZINC001234992792 1098735396 /nfs/dbraw/zinc/73/53/96/1098735396.db2.gz RPAMXQUTNHFELE-UHFFFAOYSA-N -1 3 305.381 3.481 20 10 DGCDHM Cn1ncc2c1CN(Cc1cccc(-c3ccccc3)c1[O-])C2 ZINC001234996690 1098741476 /nfs/dbraw/zinc/74/14/76/1098741476.db2.gz MMCXAKXIZFZZMK-UHFFFAOYSA-N -1 3 305.381 3.309 20 10 DGCDHM O=C(CCc1c[nH]c2ccccc12)NCc1c([O-])cccc1F ZINC001178410079 1098825553 /nfs/dbraw/zinc/82/55/53/1098825553.db2.gz LIDWRUYTIOXDCN-UHFFFAOYSA-N -1 3 312.344 3.262 20 10 DGCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1c(F)cncc1F ZINC001178688953 1098909023 /nfs/dbraw/zinc/90/90/23/1098909023.db2.gz PJCPIWCUDVZIDR-SSDOTTSWSA-N -1 3 300.255 3.194 20 10 DGCDHM C[C@]1(CF)CCN(Cc2cc(F)cc(Br)c2[O-])C1 ZINC001235299484 1098949263 /nfs/dbraw/zinc/94/92/63/1098949263.db2.gz VHCZCBLERGDPFR-CYBMUJFWSA-N -1 3 320.177 3.475 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2C[C@H]1C[C@H]2F ZINC001235303075 1098951335 /nfs/dbraw/zinc/95/13/35/1098951335.db2.gz ZWLIZEGBRMNKNP-VIRWGQHYSA-N -1 3 318.161 3.226 20 10 DGCDHM COC(=O)[C@H](C)Cc1ccc(NCc2cccc(F)c2[O-])cc1 ZINC001180655671 1099485438 /nfs/dbraw/zinc/48/54/38/1099485438.db2.gz ZUDDZECWCZHDTH-GFCCVEGCSA-N -1 3 317.360 3.495 20 10 DGCDHM C[C@@H]1CO[C@@H]2CN(Cc3cc(Cl)c(Cl)cc3[O-])C[C@H]12 ZINC001236798674 1099794444 /nfs/dbraw/zinc/79/44/44/1099794444.db2.gz JUSHFGZYCKUNDG-PJCOJXEDSA-N -1 3 302.201 3.166 20 10 DGCDHM COc1ccc(C[N@H+](C)Cc2ccccc2[O-])c([O-])c1Cl ZINC001236805595 1099798773 /nfs/dbraw/zinc/79/87/73/1099798773.db2.gz BSWSGXQHYCOSMD-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM COc1ccc(C[N@@H+](C)Cc2ccccc2[O-])c([O-])c1Cl ZINC001236805595 1099798781 /nfs/dbraw/zinc/79/87/81/1099798781.db2.gz BSWSGXQHYCOSMD-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1CCC(F)(F)CC1 ZINC000691677510 1099939366 /nfs/dbraw/zinc/93/93/66/1099939366.db2.gz NQJVROIHAJZAAP-UHFFFAOYSA-N -1 3 306.150 3.386 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCCC2(COC2)C1 ZINC001237077244 1099955090 /nfs/dbraw/zinc/95/50/90/1099955090.db2.gz DSAQZZXFYZCWQX-UHFFFAOYSA-N -1 3 302.201 3.311 20 10 DGCDHM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)c1 ZINC001189234651 1099985715 /nfs/dbraw/zinc/98/57/15/1099985715.db2.gz BRVXPKAXDLCEOJ-UHFFFAOYSA-N -1 3 319.382 3.012 20 10 DGCDHM Cc1cc([O-])c(CN2CCCC(=O)CC2)cc1Br ZINC001237678807 1100212182 /nfs/dbraw/zinc/21/21/82/1100212182.db2.gz CQTGBYMZUAYBGR-UHFFFAOYSA-N -1 3 312.207 3.018 20 10 DGCDHM CC[C@H](C)[C@@H](C(=O)OC)N(C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237940442 1100298274 /nfs/dbraw/zinc/29/82/74/1100298274.db2.gz KZVCMACZNOCXNS-XPTSAGLGSA-N -1 3 317.788 3.204 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCc2cc(O)ccc2C1 ZINC001237939673 1100298622 /nfs/dbraw/zinc/29/86/22/1100298622.db2.gz ZSXSLYAAMHJTLJ-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM COC(=O)CN(Cc1cc(F)c(Cl)cc1[O-])C1CCCC1 ZINC001237949932 1100301201 /nfs/dbraw/zinc/30/12/01/1100301201.db2.gz PAKBMICOCFXVAK-UHFFFAOYSA-N -1 3 315.772 3.102 20 10 DGCDHM CC[C@@]1(C)COCCN1Cc1cc(Br)ccc1[O-] ZINC000687976985 1103181628 /nfs/dbraw/zinc/18/16/28/1103181628.db2.gz WMRXMMDVTMCLJA-AWEZNQCLSA-N -1 3 314.223 3.156 20 10 DGCDHM Cc1ccc(Cl)cc1NC(=S)NCc1ncccc1[O-] ZINC001245192201 1103899218 /nfs/dbraw/zinc/89/92/18/1103899218.db2.gz YZXUIDKNJCCASS-UHFFFAOYSA-N -1 3 307.806 3.236 20 10 DGCDHM CCCOC1CN(Cc2cc(C)c(Br)cc2[O-])C1 ZINC001250128211 1105448830 /nfs/dbraw/zinc/44/88/30/1105448830.db2.gz AQQIPNQAPUPMRL-UHFFFAOYSA-N -1 3 314.223 3.074 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(-c2cccc(Cl)c2)o1 ZINC001253735362 1105976720 /nfs/dbraw/zinc/97/67/20/1105976720.db2.gz LOYFYWXJTLOJKY-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(Cc3cccc(Cl)c3)o2)cc1O ZINC001254415672 1106067284 /nfs/dbraw/zinc/06/72/84/1106067284.db2.gz YNJGRVOHWITIQS-UHFFFAOYSA-N -1 3 318.716 3.098 20 10 DGCDHM C[C@H](Nc1cnn(Cc2cccnc2)c1)c1ccc(F)cc1[O-] ZINC001320424190 1107002529 /nfs/dbraw/zinc/00/25/29/1107002529.db2.gz GJHZLONCJQREIQ-LBPRGKRZSA-N -1 3 312.348 3.344 20 10 DGCDHM CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1O ZINC001259100810 1107079095 /nfs/dbraw/zinc/07/90/95/1107079095.db2.gz CAXMFLAHIBVUAQ-UHFFFAOYSA-N -1 3 319.382 3.012 20 10 DGCDHM COc1ccc(CNCc2cc(Cl)cc(Cl)c2[O-])nc1 ZINC001308806549 1111477828 /nfs/dbraw/zinc/47/78/28/1111477828.db2.gz ZBNZDSFUVHBEBT-UHFFFAOYSA-N -1 3 313.184 3.392 20 10 DGCDHM O=C1CC[C@@H](c2cccc(NCc3cccc(F)c3[O-])c2)N1 ZINC001308820169 1111480321 /nfs/dbraw/zinc/48/03/21/1111480321.db2.gz QBYOPKPMGHTNLB-HNNXBMFYSA-N -1 3 300.333 3.095 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1ccnn1-c1ccc(F)cc1 ZINC001308947288 1111497841 /nfs/dbraw/zinc/49/78/41/1111497841.db2.gz BRCPFQRJPLCUTH-UHFFFAOYSA-N -1 3 315.323 3.146 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCc1ccc2c(c1)OCCO2 ZINC000083551403 192372815 /nfs/dbraw/zinc/37/28/15/192372815.db2.gz HWMBALSGRARROU-UHFFFAOYSA-N -1 3 305.761 3.107 20 10 DGCDHM CN(Cc1cccc(Cl)c1[O-])[C@@H]1CCCc2c1cnn2C ZINC000180640949 432093612 /nfs/dbraw/zinc/09/36/12/432093612.db2.gz BRSMTQTYQLGGPA-CQSZACIVSA-N -1 3 305.809 3.289 20 10 DGCDHM COc1ccc(CN(C)Cc2ccccc2[O-])c(OC)c1OC ZINC000091956646 193131878 /nfs/dbraw/zinc/13/18/78/193131878.db2.gz TZRLMDDARNARRM-UHFFFAOYSA-N -1 3 317.385 3.050 20 10 DGCDHM CCn1cc(CN[C@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000273477734 130125873 /nfs/dbraw/zinc/12/58/73/130125873.db2.gz LCNYURDVYAIAFC-SNVBAGLBSA-N -1 3 324.222 3.222 20 10 DGCDHM C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000273512991 130130553 /nfs/dbraw/zinc/13/05/53/130130553.db2.gz RZNLSGQAPVHSGM-XPTSAGLGSA-N -1 3 311.303 3.194 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC3(CCOCC3)CC2)c1[O-] ZINC000284709578 131105776 /nfs/dbraw/zinc/10/57/76/131105776.db2.gz ISMWJJOZUDYGTR-UHFFFAOYSA-N -1 3 321.392 3.127 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2ccccc2)CC1 ZINC000184771651 228386475 /nfs/dbraw/zinc/38/64/75/228386475.db2.gz WFBSYYLJNAFKPH-UHFFFAOYSA-N -1 3 311.381 3.193 20 10 DGCDHM C[C@@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372911 278388686 /nfs/dbraw/zinc/38/86/86/278388686.db2.gz GDHOZIJDSWMHQU-PXAZEXFGSA-N -1 3 300.377 3.369 20 10 DGCDHM CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)Cc1ccccc1[O-] ZINC000109770135 431177703 /nfs/dbraw/zinc/17/77/03/431177703.db2.gz XHNCOTVHSFCCDD-RDJZCZTQSA-N -1 3 316.445 3.005 20 10 DGCDHM CN(CCO)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000123276390 431860999 /nfs/dbraw/zinc/86/09/99/431860999.db2.gz MWKROJMKKIRRQB-UHFFFAOYSA-N -1 3 306.793 3.086 20 10 DGCDHM O=C1CCCCN1C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000093741593 431917902 /nfs/dbraw/zinc/91/79/02/431917902.db2.gz OCASKZSVTYZCKL-UHFFFAOYSA-N -1 3 322.836 3.023 20 10 DGCDHM Cn1cnc(-c2cccc(NCc3cc(Cl)ccc3[O-])c2)n1 ZINC000153521094 432416860 /nfs/dbraw/zinc/41/68/60/432416860.db2.gz RSMXEQWVLUQQFE-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM CC[C@@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277470772 432853902 /nfs/dbraw/zinc/85/39/02/432853902.db2.gz UVGTVHDGBXMNED-MNOVXSKESA-N -1 3 324.808 3.244 20 10 DGCDHM C[C@@H](NCc1nccn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278629039 432898183 /nfs/dbraw/zinc/89/81/83/432898183.db2.gz GRRKBXGQPRLKIN-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM CCN(Cc1ccncc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000289928089 432978665 /nfs/dbraw/zinc/97/86/65/432978665.db2.gz WGAUKJAOLWLVNY-UHFFFAOYSA-N -1 3 321.764 3.371 20 10 DGCDHM CCCOc1ccc(CN(C)Cc2conc2CC)c([O-])c1 ZINC000293548716 433778142 /nfs/dbraw/zinc/77/81/42/433778142.db2.gz DSPDBQWHSMOJJR-UHFFFAOYSA-N -1 3 304.390 3.363 20 10 DGCDHM Cn1ncc2c1CCC[C@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000293797396 433871032 /nfs/dbraw/zinc/87/10/32/433871032.db2.gz BTYQILQSRRNAOS-CYBMUJFWSA-N -1 3 309.772 3.085 20 10 DGCDHM Cn1ncc2c1CCC[C@@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000293797399 433872180 /nfs/dbraw/zinc/87/21/80/433872180.db2.gz BTYQILQSRRNAOS-ZDUSSCGKSA-N -1 3 309.772 3.085 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(n2ccnc2)CC1 ZINC000295451310 434368249 /nfs/dbraw/zinc/36/82/49/434368249.db2.gz VFRRGUDLBONPHN-UHFFFAOYSA-N -1 3 309.772 3.218 20 10 DGCDHM CCOC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295497444 434389150 /nfs/dbraw/zinc/38/91/50/434389150.db2.gz YCQNDZZXOBPOPQ-LLVKDONJSA-N -1 3 301.789 3.433 20 10 DGCDHM C[C@@H](c1ccccc1)N(CC(=O)NC1CC1)Cc1ccccc1[O-] ZINC000176674183 534101924 /nfs/dbraw/zinc/10/19/24/534101924.db2.gz YUCDNHNCEPAZDV-HNNXBMFYSA-N -1 3 324.424 3.234 20 10 DGCDHM Cc1ccc(C(=O)NC2(c3nccs3)CCCC2)c([O-])c1O ZINC000179503248 534262790 /nfs/dbraw/zinc/26/27/90/534262790.db2.gz VQEYVTDLWUYJJI-UHFFFAOYSA-N -1 3 318.398 3.062 20 10 DGCDHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000189430126 521210139 /nfs/dbraw/zinc/21/01/39/521210139.db2.gz JTHBAOUJJPBYEP-UHFFFAOYSA-N -1 3 321.398 3.154 20 10 DGCDHM COC(=O)[C@@H](NCc1cc(F)ccc1[O-])c1cc(C)cc(C)c1 ZINC000189635488 523632149 /nfs/dbraw/zinc/63/21/49/523632149.db2.gz NYVGRWAVCJNYKS-KRWDZBQOSA-N -1 3 317.360 3.152 20 10 DGCDHM C[S@](=O)C[C@@H](NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099807 525387525 /nfs/dbraw/zinc/38/75/25/525387525.db2.gz IJYKAEOPHJBUSM-VFNWGFHPSA-N -1 3 323.845 3.255 20 10 DGCDHM C[C@@H](NCc1ccc2c(c1)OCO2)c1ccc(F)c(F)c1[O-] ZINC000191181680 525530771 /nfs/dbraw/zinc/53/07/71/525530771.db2.gz APDJNVCQKIHKQV-SECBINFHSA-N -1 3 307.296 3.250 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCc1ccnc(N2CCCC2)c1 ZINC000264935450 526365415 /nfs/dbraw/zinc/36/54/15/526365415.db2.gz CPIVSDQAEGMTKJ-UHFFFAOYSA-N -1 3 317.820 3.331 20 10 DGCDHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000188436509 526750961 /nfs/dbraw/zinc/75/09/61/526750961.db2.gz GHQHBCUCALQUCP-VIFPVBQESA-N -1 3 306.387 3.004 20 10 DGCDHM CC[C@H]1CCCCN1C(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000731843844 574560285 /nfs/dbraw/zinc/56/02/85/574560285.db2.gz YVBWQPVYNJWWJL-ZBFHGGJFSA-N -1 3 304.434 3.004 20 10 DGCDHM COc1ccc(CC[C@@H](C)NC(=O)c2cc([O-])cs2)cc1 ZINC000731871127 574560496 /nfs/dbraw/zinc/56/04/96/574560496.db2.gz DPZKYMZUOHAHLI-LLVKDONJSA-N -1 3 305.399 3.213 20 10 DGCDHM O=C(NCc1ccc(C(F)(F)F)cc1)c1cc([O-])cs1 ZINC000731866623 574561134 /nfs/dbraw/zinc/56/11/34/574561134.db2.gz XGPUKJHHAIFPPH-UHFFFAOYSA-N -1 3 301.289 3.403 20 10 DGCDHM O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc([O-])cs1 ZINC000731866485 574561138 /nfs/dbraw/zinc/56/11/38/574561138.db2.gz JJGZKOBLNQZWGW-UHFFFAOYSA-N -1 3 302.355 3.055 20 10 DGCDHM CN(C)c1ccc(CN(C(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000732270071 574569566 /nfs/dbraw/zinc/56/95/66/574569566.db2.gz YWAMQYPKTZHMIB-UHFFFAOYSA-N -1 3 316.426 3.325 20 10 DGCDHM CN(C)[C@@H](CNC(=O)c1cc([O-])cs1)c1ccccc1Cl ZINC000732257026 574570126 /nfs/dbraw/zinc/57/01/26/574570126.db2.gz BPKRCYIALDLRRH-ZDUSSCGKSA-N -1 3 324.833 3.140 20 10 DGCDHM O=C(N[C@H]1CCOc2c(Cl)cccc21)c1cc([O-])cs1 ZINC000732276481 574570215 /nfs/dbraw/zinc/57/02/15/574570215.db2.gz RFCADIZGVQUWKC-NSHDSACASA-N -1 3 309.774 3.361 20 10 DGCDHM CCn1c(COC(=O)c2cc([O-])cs2)nc2c1cccc2F ZINC000732352985 574572216 /nfs/dbraw/zinc/57/22/16/574572216.db2.gz JOWVKLNJNZAJRU-UHFFFAOYSA-N -1 3 320.345 3.319 20 10 DGCDHM CCN(C(=O)[C@@H](C)OC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000732354560 574572318 /nfs/dbraw/zinc/57/23/18/574572318.db2.gz VTPVKSYPDBDNAN-LLVKDONJSA-N -1 3 319.382 3.052 20 10 DGCDHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1C ZINC000732354619 574572337 /nfs/dbraw/zinc/57/23/37/574572337.db2.gz ORLBZEJIIHJNEB-LLVKDONJSA-N -1 3 319.382 3.255 20 10 DGCDHM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2cc([O-])cs2)cc1 ZINC000734868706 574680218 /nfs/dbraw/zinc/68/02/18/574680218.db2.gz JQPPSLQGAQFNLG-CQSZACIVSA-N -1 3 319.426 3.215 20 10 DGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CSc3ccccc32)c1 ZINC000735509430 574704062 /nfs/dbraw/zinc/70/40/62/574704062.db2.gz ZRIYCUOFLDBRCX-CYBMUJFWSA-N -1 3 302.355 3.237 20 10 DGCDHM COC1CN(Cc2c([O-])ccc3cc(Br)ccc32)C1 ZINC000738226398 574861735 /nfs/dbraw/zinc/86/17/35/574861735.db2.gz UCJKYPBZQOXHSD-UHFFFAOYSA-N -1 3 322.202 3.139 20 10 DGCDHM COc1ccccc1[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000738554718 574873105 /nfs/dbraw/zinc/87/31/05/574873105.db2.gz IOYXPFDMZJDMDZ-LLVKDONJSA-N -1 3 303.383 3.092 20 10 DGCDHM CN(C(=O)c1cc([O-])cs1)[C@H]1CCCN(c2ccccc2)C1 ZINC000743415851 575049739 /nfs/dbraw/zinc/04/97/39/575049739.db2.gz BTYZSLRHNVPKAK-AWEZNQCLSA-N -1 3 316.426 3.195 20 10 DGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)Oc1cccc(Cl)c1 ZINC000743718343 575062160 /nfs/dbraw/zinc/06/21/60/575062160.db2.gz MPFVMMCJRDYUDN-VIFPVBQESA-N -1 3 311.790 3.304 20 10 DGCDHM Cc1ccc(N2CCC[C@H](NC(=O)c3cc([O-])cs3)C2)cc1 ZINC000743718786 575062274 /nfs/dbraw/zinc/06/22/74/575062274.db2.gz RTHIFHFIJPDDPY-ZDUSSCGKSA-N -1 3 316.426 3.161 20 10 DGCDHM O=C(NCCc1nc2ccccc2s1)c1cc([O-])cs1 ZINC000746411888 575452066 /nfs/dbraw/zinc/45/20/66/575452066.db2.gz UENZFELXTMWAIO-UHFFFAOYSA-N -1 3 304.396 3.036 20 10 DGCDHM O=C([N-]Cc1ccc(N2CCCCC2)cc1)C(F)(F)C(F)F ZINC000749364828 575648148 /nfs/dbraw/zinc/64/81/48/575648148.db2.gz MOJZHIAIRGZOCU-UHFFFAOYSA-N -1 3 318.314 3.194 20 10 DGCDHM CCO[C@@H]1C[C@@H](N(C)Cc2cc(F)cc(C(C)=O)c2[O-])C1(C)C ZINC000750826907 575753883 /nfs/dbraw/zinc/75/38/83/575753883.db2.gz UBWXMYMEQWXKHN-HZPDHXFCSA-N -1 3 323.408 3.369 20 10 DGCDHM CC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(OC)cc1 ZINC000751530585 575789015 /nfs/dbraw/zinc/78/90/15/575789015.db2.gz OUXHKOHIVSNJOU-OAHLLOKOSA-N -1 3 315.369 3.296 20 10 DGCDHM Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)c([O-])c1O ZINC000751533193 575789642 /nfs/dbraw/zinc/78/96/42/575789642.db2.gz MIHPQRTWWDKOMH-UHFFFAOYSA-N -1 3 311.381 3.258 20 10 DGCDHM C[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccn1 ZINC000725849117 575930095 /nfs/dbraw/zinc/93/00/95/575930095.db2.gz HVJCXZDIYMOMBS-VIFPVBQESA-N -1 3 307.737 3.200 20 10 DGCDHM Cc1cc(Br)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000126171123 618030810 /nfs/dbraw/zinc/03/08/10/618030810.db2.gz IIWWZGMIQYXWAU-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000894793798 618462343 /nfs/dbraw/zinc/46/23/43/618462343.db2.gz IWQQSMGBEFODSE-ZBFHGGJFSA-N -1 3 309.356 3.204 20 10 DGCDHM COC(=O)CN(Cc1ccoc1C)Cc1cc(Cl)ccc1[O-] ZINC000840917148 618529441 /nfs/dbraw/zinc/52/94/41/618529441.db2.gz FPZFFJJVWUYUHN-UHFFFAOYSA-N -1 3 323.776 3.122 20 10 DGCDHM CN(Cc1ccns1)Cc1cc(Br)ccc1[O-] ZINC000895453903 618785103 /nfs/dbraw/zinc/78/51/03/618785103.db2.gz SJFIVTHWZLUMMP-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM CCOC(=O)c1sc(NCc2c([O-])cccc2F)nc1C ZINC000895832605 618839136 /nfs/dbraw/zinc/83/91/36/618839136.db2.gz IKYWBXBTKHHTDM-UHFFFAOYSA-N -1 3 310.350 3.085 20 10 DGCDHM CCCOc1cccc(CC(=O)NCc2c([O-])cccc2F)c1 ZINC000928706736 619059300 /nfs/dbraw/zinc/05/93/00/619059300.db2.gz YQVLSJRNDPIMJF-UHFFFAOYSA-N -1 3 317.360 3.179 20 10 DGCDHM Cn1c(Cl)nc(Cl)c1CNCc1cccc(Cl)c1[O-] ZINC000898219649 619222731 /nfs/dbraw/zinc/22/27/31/619222731.db2.gz IUEUMQZVHKEICF-UHFFFAOYSA-N -1 3 320.607 3.376 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCSC2(CCC2)C1 ZINC000927285616 619523956 /nfs/dbraw/zinc/52/39/56/619523956.db2.gz KJELPCHYYOPFGR-LLVKDONJSA-N -1 3 324.421 3.149 20 10 DGCDHM CC(C)c1csc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC000902945667 619693469 /nfs/dbraw/zinc/69/34/69/619693469.db2.gz VFRMLUGNEQAPCO-UHFFFAOYSA-N -1 3 309.366 3.433 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H](c1ccccc1)C1CC1 ZINC000913972937 620497291 /nfs/dbraw/zinc/49/72/91/620497291.db2.gz FDXLHKFCVOHOSI-QGZVFWFLSA-N -1 3 314.360 3.482 20 10 DGCDHM C[C@@H](CCCC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000922189027 621003390 /nfs/dbraw/zinc/00/33/90/621003390.db2.gz IYCDDQTWHNEIAG-VIFPVBQESA-N -1 3 322.302 3.452 20 10 DGCDHM O=C(NCc1cc(Cl)ccc1O)c1cc([O-])ccc1Cl ZINC000857548839 621095644 /nfs/dbraw/zinc/09/56/44/621095644.db2.gz WTMHLLTUXXLNEF-UHFFFAOYSA-N -1 3 312.152 3.335 20 10 DGCDHM C[C@]1(CCNC(=O)NCc2c([O-])cccc2F)C[C@]1(F)Cl ZINC000923067272 621154262 /nfs/dbraw/zinc/15/42/62/621154262.db2.gz UNZIXCCVBFAOHI-UONOGXRCSA-N -1 3 318.751 3.035 20 10 DGCDHM Cc1cccc2nc(CN[C@H](C)c3cc(F)cc(F)c3[O-])cn21 ZINC000756565715 621649627 /nfs/dbraw/zinc/64/96/27/621649627.db2.gz YMXKUHGAQYAEQK-LLVKDONJSA-N -1 3 317.339 3.477 20 10 DGCDHM C[C@H](NCc1ccccc1[N+](=O)[O-])c1cc(F)cc(F)c1[O-] ZINC000756672546 621657842 /nfs/dbraw/zinc/65/78/42/621657842.db2.gz PXQFYRFIYBDTQC-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cc(F)ccc2OC)c1 ZINC000756857698 621669290 /nfs/dbraw/zinc/66/92/90/621669290.db2.gz QBJVOWVXWDITIC-JTQLQIEISA-N -1 3 319.332 3.500 20 10 DGCDHM C[C@@H](NCc1nn(C)c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000760895491 621972455 /nfs/dbraw/zinc/97/24/55/621972455.db2.gz AJGPUTZIFZPEES-SNVBAGLBSA-N -1 3 317.339 3.408 20 10 DGCDHM Cc1nc([C@@H]2CCCCN2Cc2c([O-])cccc2Cl)no1 ZINC000768965459 622488706 /nfs/dbraw/zinc/48/87/06/622488706.db2.gz WBIIYPCBMMZNRN-ZDUSSCGKSA-N -1 3 307.781 3.464 20 10 DGCDHM COC(=O)[C@H](c1ccccc1)N(C)Cc1cc(Cl)ccc1[O-] ZINC000769425742 622527010 /nfs/dbraw/zinc/52/70/10/622527010.db2.gz XEOBNLVCJIUXKM-INIZCTEOSA-N -1 3 319.788 3.392 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@](F)(c2ccccc2)C1 ZINC000871371530 622612511 /nfs/dbraw/zinc/61/25/11/622612511.db2.gz BVGGOIUDLGPYKL-SFHVURJKSA-N -1 3 315.344 3.199 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC(F)(c2ccccc2)CC1 ZINC000790092155 625602877 /nfs/dbraw/zinc/60/28/77/625602877.db2.gz DDNLCHBRXUVCBC-UHFFFAOYSA-N -1 3 315.344 3.199 20 10 DGCDHM COc1c([O-])c(CN(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000774821646 623196301 /nfs/dbraw/zinc/19/63/01/623196301.db2.gz DWOQQOOFRWSGLO-UHFFFAOYSA-N -1 3 320.320 3.080 20 10 DGCDHM COc1c([O-])c(CNc2cc(F)cc(F)c2)ccc1[N+](=O)[O-] ZINC000774934386 623209755 /nfs/dbraw/zinc/20/97/55/623209755.db2.gz IMHAZNWUTQSJRR-UHFFFAOYSA-N -1 3 310.256 3.199 20 10 DGCDHM COc1cc(Cl)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000775346140 623257207 /nfs/dbraw/zinc/25/72/07/623257207.db2.gz KAVAKKQQOQSGHP-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H](CO)c1ccc(F)cc1 ZINC000776175650 623390142 /nfs/dbraw/zinc/39/01/42/623390142.db2.gz WDXFDWWMUHPHNI-CQSZACIVSA-N -1 3 313.731 3.147 20 10 DGCDHM Cc1ccc(CSCCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790481569 625659364 /nfs/dbraw/zinc/65/93/64/625659364.db2.gz GHRIECAPLBXXON-UHFFFAOYSA-N -1 3 317.410 3.069 20 10 DGCDHM CN(Cc1ccc2c(c1)OCCO2)Cc1ccc(F)c(F)c1[O-] ZINC000876539459 623638141 /nfs/dbraw/zinc/63/81/41/623638141.db2.gz HHRCJFMDUDVOBL-UHFFFAOYSA-N -1 3 321.323 3.074 20 10 DGCDHM Cc1nc(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)co1 ZINC000790525898 625664617 /nfs/dbraw/zinc/66/46/17/625664617.db2.gz QZVZKJREQKLAIA-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM Cc1n[nH]c(C)c1[C@H]1CCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877532688 623928774 /nfs/dbraw/zinc/92/87/74/623928774.db2.gz WQBSHHJPTAZRIU-CYBMUJFWSA-N -1 3 307.344 3.347 20 10 DGCDHM [O-]c1c(CN2CC[C@@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673743 623986647 /nfs/dbraw/zinc/98/66/47/623986647.db2.gz QXVFGPQPHOLZKE-ZBFHGGJFSA-N -1 3 319.351 3.368 20 10 DGCDHM Cc1cc(CNCc2cc(C)cc(Br)c2[O-])no1 ZINC000781629087 624109962 /nfs/dbraw/zinc/10/99/62/624109962.db2.gz UCCKZIYDTBGYEI-UHFFFAOYSA-N -1 3 311.179 3.049 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(F)c(OC)c2)c1 ZINC000783306326 624336761 /nfs/dbraw/zinc/33/67/61/624336761.db2.gz HBHTXZXTUJGRMA-SNVBAGLBSA-N -1 3 319.332 3.500 20 10 DGCDHM CS(=O)(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000127303637 624348921 /nfs/dbraw/zinc/34/89/21/624348921.db2.gz XDNOLUFQYWXFPH-UHFFFAOYSA-N -1 3 311.790 3.061 20 10 DGCDHM CC[C@@H](C)n1ncc(NC(=O)c2cccc(O)c2[O-])c1C1CC1 ZINC000790907574 625714973 /nfs/dbraw/zinc/71/49/73/625714973.db2.gz ITETURHDLDDXPH-SNVBAGLBSA-N -1 3 315.373 3.395 20 10 DGCDHM CC[C@@]1(CO)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179718 625920378 /nfs/dbraw/zinc/92/03/78/625920378.db2.gz LMGYXDMHDZYDCV-OAHLLOKOSA-N -1 3 301.789 3.169 20 10 DGCDHM CSc1ccccc1CN(C)C(=O)c1cccc(O)c1[O-] ZINC000792541705 625954649 /nfs/dbraw/zinc/95/46/49/625954649.db2.gz BGIYFBFHZIAVNL-UHFFFAOYSA-N -1 3 303.383 3.092 20 10 DGCDHM CSc1cccc(F)c1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000796447774 626050970 /nfs/dbraw/zinc/05/09/70/626050970.db2.gz GEQSAZDKCWTCHV-UHFFFAOYSA-N -1 3 322.361 3.451 20 10 DGCDHM CC(C)N1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000132260117 626710923 /nfs/dbraw/zinc/71/09/23/626710923.db2.gz OVPBAXUSCNGAPV-UHFFFAOYSA-N -1 3 303.233 3.225 20 10 DGCDHM COC(=O)c1ccc(CNCc2c([O-])ccc(Cl)c2F)cc1 ZINC000809733565 626942959 /nfs/dbraw/zinc/94/29/59/626942959.db2.gz ZGTJKYIIHZQNIH-UHFFFAOYSA-N -1 3 323.751 3.261 20 10 DGCDHM COc1nc(C)cc(C)c1CN[C@@H](C)c1c([O-])cccc1F ZINC000886522430 627156826 /nfs/dbraw/zinc/15/68/26/627156826.db2.gz JABXLQODTNEFFH-LBPRGKRZSA-N -1 3 304.365 3.403 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1c([O-])cccc1F ZINC000886522645 627156940 /nfs/dbraw/zinc/15/69/40/627156940.db2.gz NVEOEPXKXWNCGB-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM C[C@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551597 627161939 /nfs/dbraw/zinc/16/19/39/627161939.db2.gz KOQNRYRESHWTLC-SWLSCSKDSA-N -1 3 320.408 3.116 20 10 DGCDHM Cc1cc(N[C@@H](C)c2c([O-])cccc2F)cc(OCCO)c1 ZINC000886601505 627170979 /nfs/dbraw/zinc/17/09/79/627170979.db2.gz VHVTVVSAVVRDIO-LBPRGKRZSA-N -1 3 305.349 3.384 20 10 DGCDHM C[C@H](NCc1cnc(C(F)(F)F)nc1)c1c([O-])cccc1F ZINC000886635171 627177721 /nfs/dbraw/zinc/17/77/21/627177721.db2.gz XUQZRHOJOCDZCE-QMMMGPOBSA-N -1 3 315.270 3.191 20 10 DGCDHM [O-]c1c(CN(CCCO)CC(F)(F)F)ccc2ccccc12 ZINC000816502491 627798229 /nfs/dbraw/zinc/79/82/29/627798229.db2.gz CWCJTIRRKSKOFB-UHFFFAOYSA-N -1 3 313.319 3.292 20 10 DGCDHM Cc1cc(N(C)C)ccc1CNCc1c(F)ccc([O-])c1F ZINC000816549839 627805957 /nfs/dbraw/zinc/80/59/57/627805957.db2.gz ZTWZAVJLHCQAHD-UHFFFAOYSA-N -1 3 306.356 3.335 20 10 DGCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cccc1-c1ncco1 ZINC000816797329 627830938 /nfs/dbraw/zinc/83/09/38/627830938.db2.gz BPTGZWSLMOZVBQ-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM CCc1cc(NCc2cc(C)cc(Br)c2[O-])nn1C ZINC000817708637 627936576 /nfs/dbraw/zinc/93/65/76/627936576.db2.gz FJMRRWIDAUFVEA-UHFFFAOYSA-N -1 3 324.222 3.371 20 10 DGCDHM CC[C@@H](NCC(F)(F)CN)c1ccc(C(F)(F)F)cc1[O-] ZINC000817968365 627978668 /nfs/dbraw/zinc/97/86/68/627978668.db2.gz QPBCFFGKFZEDCE-SNVBAGLBSA-N -1 3 312.282 3.046 20 10 DGCDHM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705510 628179261 /nfs/dbraw/zinc/17/92/61/628179261.db2.gz KQJOMGIFSSEKLB-QWRGUYRKSA-N -1 3 305.374 3.321 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCCc2sccc21 ZINC000928704925 628179585 /nfs/dbraw/zinc/17/95/85/628179585.db2.gz GFLIYZXBOIJQPD-LLVKDONJSA-N -1 3 305.374 3.329 20 10 DGCDHM C[C@@H]1CSCCN1Cc1ccc(Br)cc1[O-] ZINC000824808965 628695929 /nfs/dbraw/zinc/69/59/29/628695929.db2.gz OKUHHBUBBARWOG-SECBINFHSA-N -1 3 302.237 3.092 20 10 DGCDHM CCn1ccnc1[C@@H](C)NCc1cccc(Br)c1[O-] ZINC000825006184 628715473 /nfs/dbraw/zinc/71/54/73/628715473.db2.gz ZILJMXFOEKWCBS-SNVBAGLBSA-N -1 3 324.222 3.222 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cc1Cl ZINC000826023915 628820909 /nfs/dbraw/zinc/82/09/09/628820909.db2.gz KZFNRBWYERPTQD-IAGOWNOFSA-N -1 3 307.821 3.497 20 10 DGCDHM C[C@@]1(F)CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000826030473 628821548 /nfs/dbraw/zinc/82/15/48/628821548.db2.gz ZMTONSZSIXPKKQ-CYBMUJFWSA-N -1 3 302.187 3.479 20 10 DGCDHM Cc1cc(Cl)cc(CNc2cccc(-c3nnn[n-]3)c2)c1O ZINC000826267555 628836640 /nfs/dbraw/zinc/83/66/40/628836640.db2.gz KQKMVUHSOKRNRB-UHFFFAOYSA-N -1 3 315.764 3.146 20 10 DGCDHM Cc1cc(Cl)cc(CNc2cccc(-c3nn[n-]n3)c2)c1O ZINC000826267555 628836642 /nfs/dbraw/zinc/83/66/42/628836642.db2.gz KQKMVUHSOKRNRB-UHFFFAOYSA-N -1 3 315.764 3.146 20 10 DGCDHM COc1ccnc(CNCc2cc(Cl)c(C)cc2[O-])c1F ZINC000827260166 628942660 /nfs/dbraw/zinc/94/26/60/628942660.db2.gz KPLDBTTWENXWCG-UHFFFAOYSA-N -1 3 310.756 3.187 20 10 DGCDHM CCOc1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c([O-])c1 ZINC000830074937 629222342 /nfs/dbraw/zinc/22/23/42/629222342.db2.gz AJJJYQSEDJLFAO-WQVCFCJDSA-N -1 3 319.401 3.009 20 10 DGCDHM CCOc1ccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c([O-])c1 ZINC000830074937 629222346 /nfs/dbraw/zinc/22/23/46/629222346.db2.gz AJJJYQSEDJLFAO-WQVCFCJDSA-N -1 3 319.401 3.009 20 10 DGCDHM CCOc1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c([O-])c1 ZINC000830074932 629222579 /nfs/dbraw/zinc/22/25/79/629222579.db2.gz AJJJYQSEDJLFAO-MAZHCROVSA-N -1 3 319.401 3.009 20 10 DGCDHM CCOc1ccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c([O-])c1 ZINC000830074932 629222582 /nfs/dbraw/zinc/22/25/82/629222582.db2.gz AJJJYQSEDJLFAO-MAZHCROVSA-N -1 3 319.401 3.009 20 10 DGCDHM CCc1cc(CN2CC[C@@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000830218864 629240385 /nfs/dbraw/zinc/24/03/85/629240385.db2.gz VLUDVAABZBQHEP-SFHVURJKSA-N -1 3 323.408 3.251 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@H]2C2CC2)c1[O-] ZINC000831773697 629410472 /nfs/dbraw/zinc/41/04/72/629410472.db2.gz RRLHOFSXAFXOSQ-HNNXBMFYSA-N -1 3 309.406 3.061 20 10 DGCDHM COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733814 629644375 /nfs/dbraw/zinc/64/43/75/629644375.db2.gz RIDQRZUBHPJOPE-ZJUUUORDSA-N -1 3 305.330 3.104 20 10 DGCDHM Cc1cc([O-])c(CNCc2nnc(C(C)(C)C)[nH]2)c(Cl)c1 ZINC000840953524 630383929 /nfs/dbraw/zinc/38/39/29/630383929.db2.gz UMBKAAVTLXCBHC-UHFFFAOYSA-N -1 3 308.813 3.059 20 10 DGCDHM O=C([O-])[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000840997650 630393319 /nfs/dbraw/zinc/39/33/19/630393319.db2.gz XEFMKQCQSNSGQP-INIZCTEOSA-N -1 3 311.381 3.356 20 10 DGCDHM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000840997650 630393322 /nfs/dbraw/zinc/39/33/22/630393322.db2.gz XEFMKQCQSNSGQP-INIZCTEOSA-N -1 3 311.381 3.356 20 10 DGCDHM C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1[O-] ZINC000841743837 630461117 /nfs/dbraw/zinc/46/11/17/630461117.db2.gz KKAHPJCUSYNBAP-LLVKDONJSA-N -1 3 320.824 3.214 20 10 DGCDHM COc1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1C ZINC000841795423 630465782 /nfs/dbraw/zinc/46/57/82/630465782.db2.gz QTOAKCYIKMWRKK-CQSZACIVSA-N -1 3 305.399 3.371 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CC3(CC3(F)F)C2)c1 ZINC000848922041 631788525 /nfs/dbraw/zinc/78/85/25/631788525.db2.gz LIMUUWYWWPDITB-UHFFFAOYSA-N -1 3 318.161 3.304 20 10 DGCDHM CC[C@@H](NCc1nccc(OC)c1F)c1ccc(F)cc1[O-] ZINC000850536727 632186412 /nfs/dbraw/zinc/18/64/12/632186412.db2.gz MZVHHEXHDIQLEY-GFCCVEGCSA-N -1 3 308.328 3.315 20 10 DGCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000185719857 660238191 /nfs/dbraw/zinc/23/81/91/660238191.db2.gz FEHXDIHETAJXQA-HUUCEWRRSA-N -1 3 321.417 3.154 20 10 DGCDHM C[C@@H](Nc1cnn(Cc2ccccn2)c1)c1ccc(F)cc1[O-] ZINC000186390311 660380126 /nfs/dbraw/zinc/38/01/26/660380126.db2.gz JCAACUVAQAVYDJ-GFCCVEGCSA-N -1 3 312.348 3.344 20 10 DGCDHM CCC[C@H]1CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000709022282 660923655 /nfs/dbraw/zinc/92/36/55/660923655.db2.gz UWASKAPDQDUIEZ-ZDUSSCGKSA-N -1 3 314.223 3.156 20 10 DGCDHM C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(N(C)C)cc1 ZINC000828861887 661232975 /nfs/dbraw/zinc/23/29/75/661232975.db2.gz RGPTYEVCQOGXGN-LBPRGKRZSA-N -1 3 316.376 3.017 20 10 DGCDHM CSCCc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000193013840 656184005 /nfs/dbraw/zinc/18/40/05/656184005.db2.gz KOULWFDRABSPSX-UHFFFAOYSA-N -1 3 303.383 3.256 20 10 DGCDHM COC(=O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179892575 659944977 /nfs/dbraw/zinc/94/49/77/659944977.db2.gz XAWOFLQSFXIKTF-NSHDSACASA-N -1 3 318.200 3.227 20 10 DGCDHM CSc1cccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000182291981 660040876 /nfs/dbraw/zinc/04/08/76/660040876.db2.gz DLGAFURWUUPXNL-UHFFFAOYSA-N -1 3 303.383 3.405 20 10 DGCDHM Cc1ccc(C(=O)Nc2c(F)cccc2NC2CC2)c([O-])c1O ZINC000182541943 660061742 /nfs/dbraw/zinc/06/17/42/660061742.db2.gz SWLVVFNPAQAWHU-UHFFFAOYSA-N -1 3 316.332 3.372 20 10 DGCDHM C[C@@H](C1CC1)n1cc(NC(=O)NCc2c([O-])cccc2F)cn1 ZINC000930975269 661442965 /nfs/dbraw/zinc/44/29/65/661442965.db2.gz HARBDDQQZCWCJY-JTQLQIEISA-N -1 3 318.352 3.021 20 10 DGCDHM CC[C@H](C)n1ncc(NC(=O)NCc2c([O-])cccc2F)c1C ZINC000931070085 661449497 /nfs/dbraw/zinc/44/94/97/661449497.db2.gz ODDUMXSXXPPOQP-JTQLQIEISA-N -1 3 320.368 3.329 20 10 DGCDHM CCO[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000155447401 661847069 /nfs/dbraw/zinc/84/70/69/661847069.db2.gz BRJYBWPTCLPVAT-GFCCVEGCSA-N -1 3 314.223 3.156 20 10 DGCDHM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193104462 662123235 /nfs/dbraw/zinc/12/32/35/662123235.db2.gz IYSHBOGNHBHEHA-IAQYHMDHSA-N -1 3 315.344 3.460 20 10 DGCDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1C)c1ccc(OC)cc1 ZINC001590719559 1192534746 /nfs/dbraw/zinc/53/47/46/1192534746.db2.gz FVKQHHDGIBXSGH-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1C)c1ccc(OC)cc1 ZINC001590719559 1192534751 /nfs/dbraw/zinc/53/47/51/1192534751.db2.gz FVKQHHDGIBXSGH-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM COc1c(C)cc(C(=O)NCc2c([O-])cccc2F)cc1C ZINC001596910843 1192710299 /nfs/dbraw/zinc/71/02/99/1192710299.db2.gz ABEDANPMZXGLKS-UHFFFAOYSA-N -1 3 303.333 3.087 20 10 DGCDHM CC[C@H](C)Oc1cc(C(=O)NCc2c([O-])cccc2F)ccn1 ZINC001596912614 1192710575 /nfs/dbraw/zinc/71/05/75/1192710575.db2.gz PTUHPPWFSWTPNK-NSHDSACASA-N -1 3 318.348 3.034 20 10 DGCDHM C[C@@H](Sc1ccc(F)cc1)C(=O)NCc1c([O-])cccc1F ZINC001596916406 1192711283 /nfs/dbraw/zinc/71/12/83/1192711283.db2.gz GDHAOPLTHPKDRA-SNVBAGLBSA-N -1 3 323.364 3.467 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@@](C)(C(F)F)C2)c(Cl)c1 ZINC001334057732 1178713896 /nfs/dbraw/zinc/71/38/96/1178713896.db2.gz LIDGSPNKDMXVFJ-CQSZACIVSA-N -1 3 305.752 3.210 20 10 DGCDHM COc1ccc2[nH]c(NC(=O)c3ccc(C)c(O)c3[O-])cc2c1 ZINC001447646191 1182194210 /nfs/dbraw/zinc/19/42/10/1182194210.db2.gz XLLKKBXLCNDLKU-UHFFFAOYSA-N -1 3 312.325 3.148 20 10 DGCDHM Cc1cc(C)cc(C2(C(=O)NCc3c([O-])cccc3F)CC2)c1 ZINC001456090472 1182396658 /nfs/dbraw/zinc/39/66/58/1182396658.db2.gz KLRQRPYPCGQXRW-UHFFFAOYSA-N -1 3 313.372 3.496 20 10 DGCDHM CCOc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001605690659 1193164434 /nfs/dbraw/zinc/16/44/34/1193164434.db2.gz MXVGHUYWIPCSOL-AWEZNQCLSA-N -1 3 321.417 3.114 20 10 DGCDHM CCOc1ccc(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001605690659 1193164437 /nfs/dbraw/zinc/16/44/37/1193164437.db2.gz MXVGHUYWIPCSOL-AWEZNQCLSA-N -1 3 321.417 3.114 20 10 DGCDHM COc1cc(NCc2c([O-])cccc2F)c([N+](=O)[O-])cc1OC ZINC001458615554 1182545118 /nfs/dbraw/zinc/54/51/18/1182545118.db2.gz FAKNXHWEZSOYDM-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM CCOC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1[O-])C1CC1 ZINC001462118318 1182910379 /nfs/dbraw/zinc/91/03/79/1182910379.db2.gz GIUKOTIJJCMXRD-AWEZNQCLSA-N -1 3 311.809 3.352 20 10 DGCDHM CC[C@H](C)c1nnc([C@@H](C)NCc2cc(F)c(F)cc2[O-])[nH]1 ZINC001462184216 1182920225 /nfs/dbraw/zinc/92/02/25/1182920225.db2.gz QJWBCSYYYZCBBC-DTWKUNHWSA-N -1 3 310.348 3.153 20 10 DGCDHM Clc1cnc(SCCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001606198821 1193194951 /nfs/dbraw/zinc/19/49/51/1193194951.db2.gz SWQLAYJCNVQIRN-UHFFFAOYSA-N -1 3 323.834 3.311 20 10 DGCDHM O=C(CCc1ccc2[nH]ccc2c1)NCc1c([O-])cccc1F ZINC001471975743 1183603853 /nfs/dbraw/zinc/60/38/53/1183603853.db2.gz FVNYDBWVQKVXJF-UHFFFAOYSA-N -1 3 312.344 3.262 20 10 DGCDHM CCCCCC[C@@H](O)CCC(=O)NCc1c([O-])cccc1F ZINC001471976341 1183604095 /nfs/dbraw/zinc/60/40/95/1183604095.db2.gz XADSTYYDMWATIP-CYBMUJFWSA-N -1 3 311.397 3.259 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CCN(Cc2cccs2)CC1 ZINC001474411928 1183917650 /nfs/dbraw/zinc/91/76/50/1183917650.db2.gz UFOOXGWOKUGHKX-UHFFFAOYSA-N -1 3 324.396 3.050 20 10 DGCDHM CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCC2 ZINC001610034667 1193372709 /nfs/dbraw/zinc/37/27/09/1193372709.db2.gz UBSMXLTVBNFHKB-XFBWCDHKSA-N -1 3 319.401 3.089 20 10 DGCDHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC001610075145 1193375346 /nfs/dbraw/zinc/37/53/46/1193375346.db2.gz AOHHQZPLTGXVBM-GFCCVEGCSA-N -1 3 316.401 3.457 20 10 DGCDHM COc1ccc(CNCc2cc(C(=O)[O-])ccc2Cl)c(O)c1 ZINC001610336304 1193382909 /nfs/dbraw/zinc/38/29/09/1193382909.db2.gz UILZKPHPIILIIL-UHFFFAOYSA-N -1 3 321.760 3.042 20 10 DGCDHM COc1ccc(C[NH2+]Cc2cc(C(=O)[O-])ccc2Cl)c([O-])c1 ZINC001610336304 1193382912 /nfs/dbraw/zinc/38/29/12/1193382912.db2.gz UILZKPHPIILIIL-UHFFFAOYSA-N -1 3 321.760 3.042 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC1(Cc2ccccc2)CC1 ZINC001521760186 1187045358 /nfs/dbraw/zinc/04/53/58/1187045358.db2.gz VGZHNBQPYCDIKZ-UHFFFAOYSA-N -1 3 314.360 3.106 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1nsc2ccccc21 ZINC001558457466 1189126240 /nfs/dbraw/zinc/12/62/40/1189126240.db2.gz NHTPYNMZBJRBDO-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1c([O-])cccc1F ZINC001558454959 1189126548 /nfs/dbraw/zinc/12/65/48/1189126548.db2.gz IPUXAJIWHXUCSJ-JTQLQIEISA-N -1 3 323.751 3.268 20 10 DGCDHM C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001621177343 1193813979 /nfs/dbraw/zinc/81/39/79/1193813979.db2.gz YFPBDGRJTPQCMU-QFYYESIMSA-N -1 3 315.344 3.290 20 10 DGCDHM COCCN(Cc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001621218282 1193818392 /nfs/dbraw/zinc/81/83/92/1193818392.db2.gz AKGIKVQBPDDVGU-UHFFFAOYSA-N -1 3 307.340 3.319 20 10 DGCDHM CCCNC(=O)c1ccc(NCc2cccc(F)c2[O-])cc1 ZINC001621416576 1193840641 /nfs/dbraw/zinc/84/06/41/1193840641.db2.gz GJTSJPVYZSMBHW-UHFFFAOYSA-N -1 3 302.349 3.283 20 10 DGCDHM Cc1cnn(-c2ccc(C)cc2NC(=O)c2cccc(O)c2[O-])c1 ZINC001632078351 1194370099 /nfs/dbraw/zinc/37/00/99/1194370099.db2.gz CZBCLHDHYFXWJY-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CC(C)N(C)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001634796538 1194515947 /nfs/dbraw/zinc/51/59/47/1194515947.db2.gz LTYRDCAQFJOFAJ-UHFFFAOYSA-N -1 3 300.358 3.195 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ocnc1-c1ccccc1 ZINC001635367035 1194547757 /nfs/dbraw/zinc/54/77/57/1194547757.db2.gz WQAZDHNWEQVHOI-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1cccc(O)c1[O-] ZINC001635496818 1194554761 /nfs/dbraw/zinc/55/47/61/1194554761.db2.gz KMGXWMOXWROCMT-QGZVFWFLSA-N -1 3 311.381 3.493 20 10 DGCDHM Cc1cc(-c2ncco2)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001637548615 1194675546 /nfs/dbraw/zinc/67/55/46/1194675546.db2.gz SSGOAFULAHKBPC-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(c2cccc(F)c2)CC1 ZINC001638862866 1194741537 /nfs/dbraw/zinc/74/15/37/1194741537.db2.gz GHXNWYVURJHNAW-UHFFFAOYSA-N -1 3 303.308 3.018 20 10 DGCDHM Cc1c(C(=O)NCc2c([O-])cccc2F)cnc2ccccc12 ZINC001638864092 1194741566 /nfs/dbraw/zinc/74/15/66/1194741566.db2.gz UVJVYOJKIHKBPL-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM COc1ccc(C(=O)NCc2c(O)ccc3ccccc32)c([O-])c1 ZINC001645441207 1195184149 /nfs/dbraw/zinc/18/41/49/1195184149.db2.gz WFLBIIWXFHZLDC-UHFFFAOYSA-N -1 3 323.348 3.190 20 10 DGCDHM CS[C@H](C(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001646034494 1195211722 /nfs/dbraw/zinc/21/17/22/1195211722.db2.gz KAWCOGDGTXVWCL-HNNXBMFYSA-N -1 3 305.374 3.252 20 10 DGCDHM Cc1nc2cc(NCc3cc(F)cc(F)c3[O-])ccc2n1C ZINC001647040602 1195243103 /nfs/dbraw/zinc/24/31/03/1195243103.db2.gz RTZSOMQPODJEHO-UHFFFAOYSA-N -1 3 303.312 3.478 20 10 DGCDHM C[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001651513173 1195474379 /nfs/dbraw/zinc/47/43/79/1195474379.db2.gz OIMFRTHYTKSSSE-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM CC(C)COC1CN(Cc2c([O-])cccc2Br)C1 ZINC001652024424 1195537948 /nfs/dbraw/zinc/53/79/48/1195537948.db2.gz FZSVFZGBYPPCPP-UHFFFAOYSA-N -1 3 314.223 3.012 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CCc2cc(F)ccc21 ZINC001652298265 1195576544 /nfs/dbraw/zinc/57/65/44/1195576544.db2.gz HWXQYPQZPYPGPE-CYBMUJFWSA-N -1 3 303.308 3.017 20 10 DGCDHM O=C(/C=C\c1ccc2[nH]ccc2c1)NCc1c([O-])cccc1F ZINC001652297917 1195576763 /nfs/dbraw/zinc/57/67/63/1195576763.db2.gz BIWFNPKDKHIKDR-ALCCZGGFSA-N -1 3 310.328 3.342 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1sccc1OC(F)F ZINC001652295918 1195576988 /nfs/dbraw/zinc/57/69/88/1195576988.db2.gz VMGQYWSIAQLEDQ-UHFFFAOYSA-N -1 3 317.288 3.124 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1ccc2nonc2c1 ZINC001657099828 1196105559 /nfs/dbraw/zinc/10/55/59/1196105559.db2.gz UBLVPCGEPSAXAX-UHFFFAOYSA-N -1 3 307.712 3.011 20 10 DGCDHM CN(C)C(=O)c1ccc(NCc2ccc(Cl)cc2[O-])cc1 ZINC001659036738 1196335746 /nfs/dbraw/zinc/33/57/46/1196335746.db2.gz LVOTXTPFPOGUGU-UHFFFAOYSA-N -1 3 304.777 3.360 20 10 DGCDHM CC[C@@H](C)C[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OC ZINC001659531604 1196392663 /nfs/dbraw/zinc/39/26/63/1196392663.db2.gz HZGXGZYRUKLVJY-QMTHXVAHSA-N -1 3 313.825 3.421 20 10 DGCDHM C=COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC001664970238 1197083416 /nfs/dbraw/zinc/08/34/16/1197083416.db2.gz JQMICPJVENGYBL-UHFFFAOYSA-N -1 3 316.313 3.443 20 10 DGCDHM CC[C@@H](C)c1ncc(NC(=O)NCc2c([O-])cccc2F)cn1 ZINC001669299811 1197447704 /nfs/dbraw/zinc/44/77/04/1197447704.db2.gz NEBZJTZZCVEIQX-SNVBAGLBSA-N -1 3 318.352 3.157 20 10 DGCDHM O=C(NCCc1ccc(Cl)cc1)NCc1c([O-])cccc1F ZINC001681494793 1199017491 /nfs/dbraw/zinc/01/74/91/1199017491.db2.gz CFKIPNPXELTWSW-UHFFFAOYSA-N -1 3 322.767 3.227 20 10 DGCDHM CC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001683401034 1199268001 /nfs/dbraw/zinc/26/80/01/1199268001.db2.gz RHFSUFGUOIXTTA-OAHLLOKOSA-N -1 3 302.349 3.482 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)c(C)c1 ZINC000235879016 1202604889 /nfs/dbraw/zinc/60/48/89/1202604889.db2.gz PZBVLMRISJWXIZ-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001595278118 980308846 /nfs/dbraw/zinc/30/88/46/980308846.db2.gz ACDFZNLUWSCKRP-IAQYHMDHSA-N -1 3 300.358 3.287 20 10 DGCDHM C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593225806 994348954 /nfs/dbraw/zinc/34/89/54/994348954.db2.gz YJQAKCYUCLTLPA-BLLLJJGKSA-N -1 3 319.401 3.090 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593304273 994744079 /nfs/dbraw/zinc/74/40/79/994744079.db2.gz KIROARJATOVXRX-GFCCVEGCSA-N -1 3 322.364 3.489 20 10 DGCDHM C[C@@H]1CC[C@@H](CO)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078314 1099957868 /nfs/dbraw/zinc/95/78/68/1099957868.db2.gz PKKASFPHFNZABD-NXEZZACHSA-N -1 3 304.217 3.292 20 10 DGCDHM O=S(=O)(Cc1ccccc1F)Nc1ccc([O-])c(Cl)c1 ZINC000396456671 1081573641 /nfs/dbraw/zinc/57/36/41/1081573641.db2.gz HMYAGUCTOLEZNX-UHFFFAOYSA-N -1 3 315.753 3.127 20 10 DGCDHM Cc1ccc(CN(C)Cc2c([O-])cccc2Br)cn1 ZINC001140103617 1081842465 /nfs/dbraw/zinc/84/24/65/1081842465.db2.gz RBRAEAXERZNGQE-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM CC1(C)C[C@@H]1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001181300009 1083444275 /nfs/dbraw/zinc/44/42/75/1083444275.db2.gz ISZQOLHIQWHRKI-LLVKDONJSA-N -1 3 304.777 3.256 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001231909728 1087575852 /nfs/dbraw/zinc/57/58/52/1087575852.db2.gz ICOHDKXCNNHIME-ZDUSSCGKSA-N -1 3 323.742 3.325 20 10 DGCDHM O=C([N-]Cc1c(O)cccc1F)C(F)(F)c1ccccc1F ZINC001156169981 1089416381 /nfs/dbraw/zinc/41/63/81/1089416381.db2.gz ANBCBSCENLJEKD-UHFFFAOYSA-N -1 3 313.250 3.079 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C(F)(F)c1ccccc1F ZINC001156169981 1089416390 /nfs/dbraw/zinc/41/63/90/1089416390.db2.gz ANBCBSCENLJEKD-UHFFFAOYSA-N -1 3 313.250 3.079 20 10 DGCDHM Cc1ccnnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157724362 1090089304 /nfs/dbraw/zinc/08/93/04/1090089304.db2.gz MDNMHIHZTZYPOH-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@](O)(CF)CC1 ZINC001203574202 1090759314 /nfs/dbraw/zinc/75/93/14/1090759314.db2.gz PLXSSBSMDLNDHX-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001203635709 1090769858 /nfs/dbraw/zinc/76/98/58/1090769858.db2.gz FDSFDBAEZBGABB-QWRGUYRKSA-N -1 3 306.150 3.037 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCC(F)(F)C1(O)CCCCC1 ZINC001204012222 1090866391 /nfs/dbraw/zinc/86/63/91/1090866391.db2.gz QJFMIIODRARXOJ-UHFFFAOYSA-N -1 3 319.779 3.466 20 10 DGCDHM CN1CCN(Cc2cc(F)c(F)cc2[O-])Cc2ccccc21 ZINC001204790488 1091036769 /nfs/dbraw/zinc/03/67/69/1091036769.db2.gz LQTXUCNOYHULSW-UHFFFAOYSA-N -1 3 304.340 3.122 20 10 DGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@H]12 ZINC001139680828 1091641338 /nfs/dbraw/zinc/64/13/38/1091641338.db2.gz CWPLSXKCMLOTBQ-STQMWFEESA-N -1 3 315.319 3.082 20 10 DGCDHM C[C@]1(F)CCN(Cc2c([O-])cccc2Br)C[C@@H]1F ZINC001140098607 1091767972 /nfs/dbraw/zinc/76/79/72/1091767972.db2.gz HNOQUSOEDFXYBZ-STQMWFEESA-N -1 3 320.177 3.427 20 10 DGCDHM [O-]c1cccc(Br)c1CN1Cc2ccncc2C1 ZINC001140101237 1091769418 /nfs/dbraw/zinc/76/94/18/1091769418.db2.gz MPJRWVJMIQLNQG-UHFFFAOYSA-N -1 3 305.175 3.066 20 10 DGCDHM CCOC(=O)CN(Cc1ccc(Cl)cc1[O-])C1CCCC1 ZINC001140464173 1091875764 /nfs/dbraw/zinc/87/57/64/1091875764.db2.gz FFZRBKJSBAPIBC-UHFFFAOYSA-N -1 3 311.809 3.353 20 10 DGCDHM Cc1nc([C@H]2CCCCN2Cc2ccc(Cl)cc2[O-])no1 ZINC001140466449 1091879286 /nfs/dbraw/zinc/87/92/86/1091879286.db2.gz GDEZCILHNRFPRT-CYBMUJFWSA-N -1 3 307.781 3.464 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140583999 1091919219 /nfs/dbraw/zinc/91/92/19/1091919219.db2.gz BMYWXFZMMPWHRG-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM CC(C)/C=C/C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001142664587 1092522569 /nfs/dbraw/zinc/52/25/69/1092522569.db2.gz YFTULHTWQIJYPH-AATRIKPKSA-N -1 3 304.777 3.422 20 10 DGCDHM Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC001169401402 1092665875 /nfs/dbraw/zinc/66/58/75/1092665875.db2.gz ADBMVCXNLFXKKC-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM COc1c(F)cc(F)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215146021 1093927232 /nfs/dbraw/zinc/92/72/32/1093927232.db2.gz XETVYPCDQMJHSG-UHFFFAOYSA-N -1 3 320.251 3.102 20 10 DGCDHM CC(=O)c1ccc(F)c(-c2noc(-c3ccc([O-])c(O)c3)n2)c1 ZINC001215304573 1093956122 /nfs/dbraw/zinc/95/61/22/1093956122.db2.gz SHAARHWLLGZBPL-UHFFFAOYSA-N -1 3 314.272 3.157 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc4occc43)no2)cc1O ZINC001215327899 1093961697 /nfs/dbraw/zinc/96/16/97/1093961697.db2.gz ZDZLQLXYSZBVPT-UHFFFAOYSA-N -1 3 310.265 3.267 20 10 DGCDHM COc1cccc(NC(=O)NCc2c([O-])cccc2F)c1F ZINC001216828168 1094267809 /nfs/dbraw/zinc/26/78/09/1094267809.db2.gz COVVJMQWIAIPON-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCC(F)(F)CC1 ZINC000404794627 1094269491 /nfs/dbraw/zinc/26/94/91/1094269491.db2.gz QHGXYGGDFRSPJJ-UHFFFAOYSA-N -1 3 306.150 3.386 20 10 DGCDHM C[C@H](CCc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001220549716 1095111882 /nfs/dbraw/zinc/11/18/82/1095111882.db2.gz RWCBLQKEVSLPOY-CYBMUJFWSA-N -1 3 316.376 3.352 20 10 DGCDHM Cc1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)c(C)c1 ZINC001137838584 1095758716 /nfs/dbraw/zinc/75/87/16/1095758716.db2.gz DIXDUXJXIZDMAT-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM C[C@@]1(c2ccc(F)cc2)CN(Cc2c([O-])cccc2F)CCO1 ZINC001137839127 1095760062 /nfs/dbraw/zinc/76/00/62/1095760062.db2.gz SJENLSSJOJMIPZ-SFHVURJKSA-N -1 3 319.351 3.418 20 10 DGCDHM [O-]c1c(F)cccc1CN1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001138127689 1095900854 /nfs/dbraw/zinc/90/08/54/1095900854.db2.gz MKFRRULKSGPQTP-ZDUSSCGKSA-N -1 3 323.314 3.463 20 10 DGCDHM O=C(Nc1ncccc1-c1ccccc1)c1cccc(O)c1[O-] ZINC001148212572 1096327784 /nfs/dbraw/zinc/32/77/84/1096327784.db2.gz DYGIQHXILIVJFZ-UHFFFAOYSA-N -1 3 306.321 3.412 20 10 DGCDHM C[N@H+](CCc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452217 1097751803 /nfs/dbraw/zinc/75/18/03/1097751803.db2.gz HIDRGQJMLZNWID-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452217 1097751806 /nfs/dbraw/zinc/75/18/06/1097751806.db2.gz HIDRGQJMLZNWID-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM CCN(Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1F ZINC001231459967 1097753287 /nfs/dbraw/zinc/75/32/87/1097753287.db2.gz JCFTUYZGSOLGRH-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001231455880 1097753982 /nfs/dbraw/zinc/75/39/82/1097753982.db2.gz WATUEOBGYWCCBE-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001231455880 1097753985 /nfs/dbraw/zinc/75/39/85/1097753985.db2.gz WATUEOBGYWCCBE-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM COc1ccccc1[C@@H](C)N(C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566025 1097780564 /nfs/dbraw/zinc/78/05/64/1097780564.db2.gz NSSYWBZNCGWLMS-GFCCVEGCSA-N -1 3 315.369 3.292 20 10 DGCDHM C[C@@]1(CO)CC(F)(F)CN1Cc1ccc2ccccc2c1[O-] ZINC001231879486 1097878025 /nfs/dbraw/zinc/87/80/25/1097878025.db2.gz FFKDQZQWTMKRJL-INIZCTEOSA-N -1 3 307.340 3.137 20 10 DGCDHM [O-]c1cc(O)c(CN2CCOC[C@@H]2c2ccccc2)cc1Cl ZINC001232258653 1097983742 /nfs/dbraw/zinc/98/37/42/1097983742.db2.gz BTTZYIBQFFSLEI-OAHLLOKOSA-N -1 3 319.788 3.325 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@H]3CCCC[C@H]32)cc1Cl ZINC001232266955 1097986090 /nfs/dbraw/zinc/98/60/90/1097986090.db2.gz TWDYVTAGRBOMHC-GXTWGEPZSA-N -1 3 323.820 3.388 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@@H](CF)C(F)(F)C2)cc1Cl ZINC001232267028 1097986560 /nfs/dbraw/zinc/98/65/60/1097986560.db2.gz VGNXNIDJGKPTCM-JTQLQIEISA-N -1 3 323.742 3.481 20 10 DGCDHM [O-]c1c(CN2CC[C@H](Oc3ccc(F)cc3)C2)ccc(F)c1F ZINC001233077104 1098219463 /nfs/dbraw/zinc/21/94/63/1098219463.db2.gz DMIAKKIUIUTDEY-AWEZNQCLSA-N -1 3 323.314 3.463 20 10 DGCDHM [O-]c1c(CN2CC3(C2)CCCOC3)cccc1C(F)(F)F ZINC001233416298 1098321781 /nfs/dbraw/zinc/32/17/81/1098321781.db2.gz CPILLYVWAZPEAY-UHFFFAOYSA-N -1 3 301.308 3.023 20 10 DGCDHM [O-]c1c(CN2CC[C@H]3CCCO[C@@H]3C2)cccc1C(F)(F)F ZINC001233416685 1098322499 /nfs/dbraw/zinc/32/24/99/1098322499.db2.gz RMTGKKCSBNKSGE-BXUZGUMPSA-N -1 3 315.335 3.412 20 10 DGCDHM CN(Cc1cncs1)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419215 1098326160 /nfs/dbraw/zinc/32/61/60/1098326160.db2.gz NWBLDUYRVLYKOD-UHFFFAOYSA-N -1 3 302.321 3.500 20 10 DGCDHM CN(Cc1cscn1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454581 1098341476 /nfs/dbraw/zinc/34/14/76/1098341476.db2.gz AECFGTKFZRQTLO-UHFFFAOYSA-N -1 3 302.321 3.500 20 10 DGCDHM CC(C)(C)c1ccc(CNC(=O)c2cccc(O)c2[O-])s1 ZINC001177212294 1098491311 /nfs/dbraw/zinc/49/13/11/1098491311.db2.gz WKSRHBXBXSOFJU-UHFFFAOYSA-N -1 3 305.399 3.387 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001235067758 1098782143 /nfs/dbraw/zinc/78/21/43/1098782143.db2.gz ZKZAJVIDXRNZSH-PELKAZGASA-N -1 3 300.171 3.278 20 10 DGCDHM COc1ccc2c(c1)[C@H](NCc1cc(F)cc(F)c1[O-])CCO2 ZINC001178445413 1098820163 /nfs/dbraw/zinc/82/01/63/1098820163.db2.gz YHXZIKPGVNYPKU-OAHLLOKOSA-N -1 3 321.323 3.292 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)cc2cccnc21 ZINC001178413481 1098828015 /nfs/dbraw/zinc/82/80/15/1098828015.db2.gz SRUXGHIURXASRY-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC001180178129 1099324176 /nfs/dbraw/zinc/32/41/76/1099324176.db2.gz QABQMVPYDKFLSR-CQSZACIVSA-N -1 3 323.339 3.445 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CNCc1cccc(Cl)c1[O-] ZINC001180310235 1099367262 /nfs/dbraw/zinc/36/72/62/1099367262.db2.gz BFNDGNMCXQXUAL-UHFFFAOYSA-N -1 3 322.748 3.252 20 10 DGCDHM C[S@@](=O)Cc1ccccc1NCc1cc(F)c(F)cc1[O-] ZINC001180593773 1099467551 /nfs/dbraw/zinc/46/75/51/1099467551.db2.gz OBVKOCKPGGNIHV-OAQYLSRUSA-N -1 3 311.353 3.161 20 10 DGCDHM C[C@H]1CC[C@H](CO)CN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236794255 1099788771 /nfs/dbraw/zinc/78/87/71/1099788771.db2.gz QZBLKAITBVGVGR-UWVGGRQHSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@]2(CCCO2)C1 ZINC001236794294 1099787290 /nfs/dbraw/zinc/78/72/90/1099787290.db2.gz RIMNEMICQOLRDA-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM COc1cc([O-])c(CN2CC3(C2)CC(F)(F)C3)c(Cl)c1 ZINC001236797543 1099790391 /nfs/dbraw/zinc/79/03/91/1099790391.db2.gz GEVIBCUSDSJVPF-UHFFFAOYSA-N -1 3 303.736 3.285 20 10 DGCDHM Cc1cc(CN(C)Cc2cc(Cl)c(Cl)cc2[O-])n(C)n1 ZINC001236797349 1099791479 /nfs/dbraw/zinc/79/14/79/1099791479.db2.gz XGLHSLYIJOJDKJ-UHFFFAOYSA-N -1 3 314.216 3.373 20 10 DGCDHM CC(C)(C)OC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001205411791 1099893354 /nfs/dbraw/zinc/89/33/54/1099893354.db2.gz OLIFFMWDRWJYFG-CYBMUJFWSA-N -1 3 311.809 3.352 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(C1)CCOCC2 ZINC001237082657 1099962698 /nfs/dbraw/zinc/96/26/98/1099962698.db2.gz SZJAWNBWDDYZHN-UHFFFAOYSA-N -1 3 302.201 3.311 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@]2(CCO2)C1 ZINC001237085297 1099963426 /nfs/dbraw/zinc/96/34/26/1099963426.db2.gz XRMIYDJDLLZFHX-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H](C)O[C@@H](C)C2)cc1Br ZINC001237675970 1100210962 /nfs/dbraw/zinc/21/09/62/1100210962.db2.gz DHQOIDWHVADTKF-PHIMTYICSA-N -1 3 314.223 3.072 20 10 DGCDHM Cc1cc([O-])c(CN2CC(F)(C3CC3)C2)cc1Br ZINC001237678173 1100211789 /nfs/dbraw/zinc/21/17/89/1100211789.db2.gz VQZRQVUUIWJAQQ-UHFFFAOYSA-N -1 3 314.198 3.397 20 10 DGCDHM Cc1cc([O-])c(CN2CCn3cccc3C2)cc1Br ZINC001237677748 1100213200 /nfs/dbraw/zinc/21/32/00/1100213200.db2.gz CZCGLPUPXNXRMT-UHFFFAOYSA-N -1 3 321.218 3.280 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2C)c(C)cc1O ZINC001194634388 1100978867 /nfs/dbraw/zinc/97/88/67/1100978867.db2.gz RJJFBWWAFINZMW-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001195308763 1101118941 /nfs/dbraw/zinc/11/89/41/1101118941.db2.gz TYEDCCAYAHTSPD-UHFFFAOYSA-N -1 3 315.753 3.294 20 10 DGCDHM C=CS(=O)(=O)[N-]c1ccccc1C(=O)c1ccc(Cl)cc1 ZINC001198610280 1101924824 /nfs/dbraw/zinc/92/48/24/1101924824.db2.gz JJCLAZGQNGIJMO-UHFFFAOYSA-N -1 3 321.785 3.456 20 10 DGCDHM CC(C)(C)NC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001202484248 1103760299 /nfs/dbraw/zinc/76/02/99/1103760299.db2.gz FORBPNGEDOBFBW-UHFFFAOYSA-N -1 3 307.781 3.192 20 10 DGCDHM CCc1cccc(CC)c1NC(=S)NCc1ncccc1[O-] ZINC001248695777 1105146649 /nfs/dbraw/zinc/14/66/49/1105146649.db2.gz VSCQNTAORGSNMH-UHFFFAOYSA-N -1 3 315.442 3.399 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2C[C@@H](F)C[C@H]2CO)cc1Cl ZINC001248881214 1105185581 /nfs/dbraw/zinc/18/55/81/1105185581.db2.gz TUNGKNHYSIZVNB-RYUDHWBXSA-N -1 3 315.816 3.248 20 10 DGCDHM Cc1cc(CN2CCC(F)(F)C2)c([O-])cc1Br ZINC001250120331 1105445387 /nfs/dbraw/zinc/44/53/87/1105445387.db2.gz BGXMGNHQKFRZEX-UHFFFAOYSA-N -1 3 306.150 3.304 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1O ZINC001254229222 1106040526 /nfs/dbraw/zinc/04/05/26/1106040526.db2.gz NRHMYIJAZIYPHZ-UHFFFAOYSA-N -1 3 318.716 3.098 20 10 DGCDHM O=C(NC1(c2ccc(Cl)cc2)CC1)c1cccc(O)c1[O-] ZINC001299664991 1107266634 /nfs/dbraw/zinc/26/66/34/1107266634.db2.gz KSTVHKKNDWCRIW-UHFFFAOYSA-N -1 3 303.745 3.170 20 10 DGCDHM CCc1ccc(CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001303878173 1111156462 /nfs/dbraw/zinc/15/64/62/1111156462.db2.gz MTBFXZBRVMNYFU-UHFFFAOYSA-N -1 3 301.361 3.343 20 10 DGCDHM CCCN(Cc1ccccc1O)C(=O)c1ccc(OC)cc1[O-] ZINC000092602164 185328707 /nfs/dbraw/zinc/32/87/07/185328707.db2.gz GYRHSHRZEUEYNA-UHFFFAOYSA-N -1 3 315.369 3.159 20 10 DGCDHM C[C@@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncnn1C ZINC000278387448 296149632 /nfs/dbraw/zinc/14/96/32/296149632.db2.gz DKYPTLCKWUYJIG-JGVFFNPUSA-N -1 3 315.204 3.239 20 10 DGCDHM CC(=O)Nc1cccc2c1CCCN2Cc1cc(F)ccc1[O-] ZINC000272487965 130035437 /nfs/dbraw/zinc/03/54/37/130035437.db2.gz DIOOMPIKCWYYLV-UHFFFAOYSA-N -1 3 314.360 3.443 20 10 DGCDHM COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447789 130123628 /nfs/dbraw/zinc/12/36/28/130123628.db2.gz FLNOIHAAEABZBF-BLLLJJGKSA-N -1 3 316.357 3.339 20 10 DGCDHM CC[C@H](NCc1cnn(CCOC)c1)c1cccc(Cl)c1[O-] ZINC000286988565 131259221 /nfs/dbraw/zinc/25/92/21/131259221.db2.gz JLQKAFKQSPKKOF-HNNXBMFYSA-N -1 3 323.824 3.129 20 10 DGCDHM Cc1noc(C2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000091835231 431905043 /nfs/dbraw/zinc/90/50/43/431905043.db2.gz DAXNYZNHTSKQFH-UHFFFAOYSA-N -1 3 307.781 3.117 20 10 DGCDHM COc1cc(CN(C)Cc2c([O-])cccc2Cl)ccc1O ZINC000271031127 432318197 /nfs/dbraw/zinc/31/81/97/432318197.db2.gz GVCQKTBIOXPEBB-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM C[C@H](c1ccccc1)N(CC(=O)N1CCC1)Cc1ccccc1[O-] ZINC000271995583 432433030 /nfs/dbraw/zinc/43/30/30/432433030.db2.gz HBAURLQYCVUUJR-MRXNPFEDSA-N -1 3 324.424 3.188 20 10 DGCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1C1CCCC1 ZINC000192977858 432435280 /nfs/dbraw/zinc/43/52/80/432435280.db2.gz PGTJPWOQTSXCME-UHFFFAOYSA-N -1 3 315.373 3.279 20 10 DGCDHM C[C@@]1(Cc2ccccc2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000193166141 432455182 /nfs/dbraw/zinc/45/51/82/432455182.db2.gz XZFHHUCMEUASRR-IBGZPJMESA-N -1 3 311.381 3.335 20 10 DGCDHM COC1(C)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000271734981 432422166 /nfs/dbraw/zinc/42/21/66/432422166.db2.gz NUDPVUSIIYSBIV-UHFFFAOYSA-N -1 3 311.809 3.249 20 10 DGCDHM COC[C@@H](NCc1cc(Cl)cc(OC)c1[O-])c1ccco1 ZINC000184709723 432424021 /nfs/dbraw/zinc/42/40/21/432424021.db2.gz YTROWUWEJJAUMR-GFCCVEGCSA-N -1 3 311.765 3.125 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@H](CCO)c2ccco2)c1[O-] ZINC000185125903 432468635 /nfs/dbraw/zinc/46/86/35/432468635.db2.gz FVVNGOGHSBKQEP-CQSZACIVSA-N -1 3 323.776 3.055 20 10 DGCDHM C[C@H](c1ccccc1)N(CC(=O)NC1CC1)Cc1ccccc1[O-] ZINC000176674198 432541883 /nfs/dbraw/zinc/54/18/83/432541883.db2.gz YUCDNHNCEPAZDV-OAHLLOKOSA-N -1 3 324.424 3.234 20 10 DGCDHM CCOc1cc2c(cc1NCc1cc(F)ccc1[O-])OCCO2 ZINC000189776645 432818985 /nfs/dbraw/zinc/81/89/85/432818985.db2.gz BGGVFXDKELQCFS-UHFFFAOYSA-N -1 3 319.332 3.313 20 10 DGCDHM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000277245779 432831302 /nfs/dbraw/zinc/83/13/02/432831302.db2.gz JNYMAIGDQKYOEM-RDTXWAMCSA-N -1 3 312.413 3.304 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C=C(C)C ZINC000268458020 432872563 /nfs/dbraw/zinc/87/25/63/432872563.db2.gz CEEHGIYXIKFZIM-UHFFFAOYSA-N -1 3 312.207 3.469 20 10 DGCDHM COc1c([O-])c(CN(C)[C@H](C)c2ccco2)ccc1[N+](=O)[O-] ZINC000278192204 432889830 /nfs/dbraw/zinc/88/98/30/432889830.db2.gz HZURNKLZLHKBKC-SNVBAGLBSA-N -1 3 306.318 3.095 20 10 DGCDHM CCc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278556109 432896982 /nfs/dbraw/zinc/89/69/82/432896982.db2.gz ARZOFDUEEWWEDU-UHFFFAOYSA-N -1 3 302.330 3.484 20 10 DGCDHM C[C@H](NCc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1[O-] ZINC000296333546 432897035 /nfs/dbraw/zinc/89/70/35/432897035.db2.gz HLBMQUATZCFILV-QMMMGPOBSA-N -1 3 315.270 3.191 20 10 DGCDHM COc1c([O-])c(CNC2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278892002 432913281 /nfs/dbraw/zinc/91/32/81/432913281.db2.gz PVCDFYHLINUKPW-UHFFFAOYSA-N -1 3 314.341 3.088 20 10 DGCDHM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000278916128 432916523 /nfs/dbraw/zinc/91/65/23/432916523.db2.gz JYXHWADYQHVJAZ-HIFRSBDPSA-N -1 3 311.381 3.424 20 10 DGCDHM COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278935246 432918893 /nfs/dbraw/zinc/91/88/93/432918893.db2.gz WXAORACTUSECBP-UHFFFAOYSA-N -1 3 318.329 3.238 20 10 DGCDHM C[C@H](NCc1ncccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000289719039 432973203 /nfs/dbraw/zinc/97/32/03/432973203.db2.gz JLWYUBCPEMSURU-NSHDSACASA-N -1 3 305.809 3.357 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@H](C)C2)c1[O-] ZINC000290012013 432982776 /nfs/dbraw/zinc/98/27/76/432982776.db2.gz ZVAKTKPNHDAKNL-SECBINFHSA-N -1 3 301.308 3.211 20 10 DGCDHM CCOCc1nc([C@H](C)N[C@@H](CC)c2ccc(C)cc2[O-])no1 ZINC000290183160 433009146 /nfs/dbraw/zinc/00/91/46/433009146.db2.gz NSGXJGGFGNQJBD-JSGCOSHPSA-N -1 3 319.405 3.422 20 10 DGCDHM CC(C)n1nccc1CNCc1cccc(Br)c1[O-] ZINC000280669053 433129274 /nfs/dbraw/zinc/12/92/74/433129274.db2.gz UBVNVVZLEGNGSO-UHFFFAOYSA-N -1 3 324.222 3.222 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1[O-] ZINC000373472898 433152197 /nfs/dbraw/zinc/15/21/97/433152197.db2.gz GOLKYWPVOXPCJH-BONVTDFDSA-N -1 3 311.809 3.054 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000375334000 433433529 /nfs/dbraw/zinc/43/35/29/433433529.db2.gz AYWFQAOLQHAIGB-JKSUJKDBSA-N -1 3 323.820 3.392 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000375355814 433436400 /nfs/dbraw/zinc/43/64/00/433436400.db2.gz XQKPAJSBXYMPIX-GFCCVEGCSA-N -1 3 322.206 3.215 20 10 DGCDHM CCCCN(Cc1nc(C2CC2)no1)Cc1ccccc1[O-] ZINC000282392483 433595080 /nfs/dbraw/zinc/59/50/80/433595080.db2.gz GZMNOAVBMLRSDM-UHFFFAOYSA-N -1 3 301.390 3.455 20 10 DGCDHM CCCCN(Cc1ccccc1O)C(=O)c1ccc(O)cc1[O-] ZINC000282495215 433613291 /nfs/dbraw/zinc/61/32/91/433613291.db2.gz MXVUTQDUGDVJNX-UHFFFAOYSA-N -1 3 315.369 3.246 20 10 DGCDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])CCCO1 ZINC000310984291 434113668 /nfs/dbraw/zinc/11/36/68/434113668.db2.gz RMSBVDLCMJFAQN-UHFFFAOYSA-N -1 3 314.223 3.156 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC([C@@H]2CCOC2)CC1 ZINC000365268604 434295694 /nfs/dbraw/zinc/29/56/94/434295694.db2.gz ZDXUIGDYOPTUFI-GFCCVEGCSA-N -1 3 313.800 3.433 20 10 DGCDHM Cc1cccc(OC2CCN(Cc3cccc(F)c3[O-])CC2)n1 ZINC000368368651 434572225 /nfs/dbraw/zinc/57/22/25/434572225.db2.gz BSIHWJVOQFWCFF-UHFFFAOYSA-N -1 3 316.376 3.278 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000369129126 434587125 /nfs/dbraw/zinc/58/71/25/434587125.db2.gz BCCVDYORJDJRKI-AWEZNQCLSA-N -1 3 315.344 3.084 20 10 DGCDHM CCn1nncc1CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000527918860 337774791 /nfs/dbraw/zinc/77/47/91/337774791.db2.gz FERLAAWUBVTELD-MRVPVSSYSA-N -1 3 315.204 3.161 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2cccnc2)c1[O-] ZINC000181641916 518277137 /nfs/dbraw/zinc/27/71/37/518277137.db2.gz HSPXRRRCGINQOM-JTQLQIEISA-N -1 3 304.777 3.494 20 10 DGCDHM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158042682 518588206 /nfs/dbraw/zinc/58/82/06/518588206.db2.gz LFSBEJPXDCNXII-CQSZACIVSA-N -1 3 324.852 3.172 20 10 DGCDHM CCCC(=O)NC[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000124236810 519874422 /nfs/dbraw/zinc/87/44/22/519874422.db2.gz BIMHMUWLPPQWJL-CYBMUJFWSA-N -1 3 324.852 3.174 20 10 DGCDHM COC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccccc1 ZINC000181702596 522748821 /nfs/dbraw/zinc/74/88/21/522748821.db2.gz NWYGZVBZJCOUFY-KRWDZBQOSA-N -1 3 317.360 3.211 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)ccc2[O-])c(OC)c1 ZINC000179884209 524006778 /nfs/dbraw/zinc/00/67/78/524006778.db2.gz DDORBQTVGZJURF-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM C[C@H](Nc1ccc(OC2COC2)cc1)c1cc(F)ccc1[O-] ZINC000188645916 525657859 /nfs/dbraw/zinc/65/78/59/525657859.db2.gz VIRIUQPURNYBMB-NSHDSACASA-N -1 3 303.333 3.482 20 10 DGCDHM Cc1ccc(OCCCCNC(=O)c2cc([O-])cs2)cc1 ZINC000731871580 574560537 /nfs/dbraw/zinc/56/05/37/574560537.db2.gz JDUSMCRVLQHCNO-UHFFFAOYSA-N -1 3 305.399 3.351 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC(COc2ccccc2)CC1 ZINC000731870349 574560579 /nfs/dbraw/zinc/56/05/79/574560579.db2.gz NWFKMHYRYUPRPS-UHFFFAOYSA-N -1 3 317.410 3.385 20 10 DGCDHM CN(CC(=O)Nc1ccccc1Cl)Cc1ccccc1[O-] ZINC000731843027 574560164 /nfs/dbraw/zinc/56/01/64/574560164.db2.gz NUKXMOOKMILOIU-UHFFFAOYSA-N -1 3 304.777 3.116 20 10 DGCDHM C[C@@H](OCCCNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731867850 574561301 /nfs/dbraw/zinc/56/13/01/574561301.db2.gz YGSGHTULAMXWHW-GFCCVEGCSA-N -1 3 305.399 3.351 20 10 DGCDHM O=C(N[C@H](c1ccccc1)c1cccnc1)c1cc([O-])cs1 ZINC000732286338 574570872 /nfs/dbraw/zinc/57/08/72/574570872.db2.gz RAEYOPIMMDQMAC-MRXNPFEDSA-N -1 3 310.378 3.368 20 10 DGCDHM COc1cc(CNC(=O)c2cc([O-])cs2)ccc1OC(C)C ZINC000732271075 574569638 /nfs/dbraw/zinc/56/96/38/574569638.db2.gz ACQWTIBPCKVCFO-UHFFFAOYSA-N -1 3 321.398 3.180 20 10 DGCDHM O=C(Nc1ccc(OC(F)F)c(F)c1)c1cc([O-])cs1 ZINC000732274075 574570019 /nfs/dbraw/zinc/57/00/19/574570019.db2.gz INGPNAATDXXJKD-UHFFFAOYSA-N -1 3 303.261 3.447 20 10 DGCDHM O=C(Nc1ccc(OC2CCCC2)nc1)c1cc([O-])cs1 ZINC000732282901 574570617 /nfs/dbraw/zinc/57/06/17/574570617.db2.gz OMJWQMNDZIVBBU-UHFFFAOYSA-N -1 3 304.371 3.422 20 10 DGCDHM Cc1cc(C)cc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)c1 ZINC000732354764 574572363 /nfs/dbraw/zinc/57/23/63/574572363.db2.gz YUDHXQXERMCQKM-LLVKDONJSA-N -1 3 319.382 3.255 20 10 DGCDHM CN(C)C(=O)Sc1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000733362630 574617811 /nfs/dbraw/zinc/61/78/11/574617811.db2.gz UQMCLOJUCQECBY-UHFFFAOYSA-N -1 3 322.411 3.480 20 10 DGCDHM CO[C@@H](CNCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000733329604 574616639 /nfs/dbraw/zinc/61/66/39/574616639.db2.gz WEHSDGUGMGBBFK-VIFPVBQESA-N -1 3 318.122 3.366 20 10 DGCDHM CCc1ccc([O-])c(C(=O)NCCCSc2nccs2)c1 ZINC000734358811 574659432 /nfs/dbraw/zinc/65/94/32/574659432.db2.gz PQXQENZBWYQTCF-UHFFFAOYSA-N -1 3 322.455 3.323 20 10 DGCDHM Cc1cnn(-c2ccc(NC(=O)c3cc([O-])cs3)cc2F)c1 ZINC000736687672 574803001 /nfs/dbraw/zinc/80/30/01/574803001.db2.gz CRZACWSYMGSHHV-UHFFFAOYSA-N -1 3 317.345 3.339 20 10 DGCDHM CC(C)(C)OC(=O)CCCCCNC(=O)c1cc([O-])cs1 ZINC000743761054 575062846 /nfs/dbraw/zinc/06/28/46/575062846.db2.gz XRNOISNEYQXVMP-UHFFFAOYSA-N -1 3 313.419 3.086 20 10 DGCDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cs2)cc(C)c1F ZINC000745002523 575368260 /nfs/dbraw/zinc/36/82/60/575368260.db2.gz LGMKANUCFUSDSC-UHFFFAOYSA-N -1 3 308.330 3.249 20 10 DGCDHM Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c([O-])c1C ZINC000746889594 575482168 /nfs/dbraw/zinc/48/21/68/575482168.db2.gz AZQSSRNIXBQCOG-UHFFFAOYSA-N -1 3 316.376 3.144 20 10 DGCDHM COc1cccc(C(C)(C)CNC(=O)c2cc([O-])cs2)c1 ZINC000750539021 575737892 /nfs/dbraw/zinc/73/78/92/575737892.db2.gz QPGCYZSEANTMCE-UHFFFAOYSA-N -1 3 305.399 3.170 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ccccn2)c1[O-] ZINC000751481581 575786676 /nfs/dbraw/zinc/78/66/76/575786676.db2.gz IGIVSEJIJQWGFU-KRWDZBQOSA-N -1 3 314.360 3.466 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000751481586 575786728 /nfs/dbraw/zinc/78/67/28/575786728.db2.gz IGIVSEJIJQWGFU-QGZVFWFLSA-N -1 3 314.360 3.466 20 10 DGCDHM O=C([O-])[C@H]1CC12CC[NH+](Cc1c([O-])ccc3ccccc31)CC2 ZINC000405369243 600279120 /nfs/dbraw/zinc/27/91/20/600279120.db2.gz NQQLDIAKYIPQHR-MRXNPFEDSA-N -1 3 311.381 3.232 20 10 DGCDHM COCCN(Cc1ccc(C)o1)Cc1cc(F)cc(F)c1[O-] ZINC000894068185 618703890 /nfs/dbraw/zinc/70/38/90/618703890.db2.gz QVJCTFFNTRETHT-UHFFFAOYSA-N -1 3 311.328 3.220 20 10 DGCDHM Cn1ccc([C@H]2CCCN(Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000896490275 618917834 /nfs/dbraw/zinc/91/78/34/618917834.db2.gz RIUUBHNIQPFBDD-NSHDSACASA-N -1 3 323.799 3.298 20 10 DGCDHM CCn1cnc2c1CCN(Cc1cc(Cl)c(C)cc1[O-])C2 ZINC000897333354 619061898 /nfs/dbraw/zinc/06/18/98/619061898.db2.gz FHTRJZKRVYKDTQ-UHFFFAOYSA-N -1 3 305.809 3.129 20 10 DGCDHM Cc1nn(C)c(CNCc2cccc(Cl)c2[O-])c1Cl ZINC000898215308 619222459 /nfs/dbraw/zinc/22/24/59/619222459.db2.gz KZXBMYDBKQFIOA-UHFFFAOYSA-N -1 3 300.189 3.031 20 10 DGCDHM [O-]c1ccc2ccncc2c1CN1CCn2nc(C3CC3)cc2C1 ZINC000902408136 619628160 /nfs/dbraw/zinc/62/81/60/619628160.db2.gz XODVEWCSWURONL-UHFFFAOYSA-N -1 3 320.396 3.030 20 10 DGCDHM CCN(C(=O)CN[C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000903194562 619734048 /nfs/dbraw/zinc/73/40/48/619734048.db2.gz FFPNTNIROSKJIS-ZDUSSCGKSA-N -1 3 316.376 3.235 20 10 DGCDHM CCc1ccc(CNC(=O)NCc2c([O-])cccc2F)s1 ZINC000914154654 620509386 /nfs/dbraw/zinc/50/93/86/620509386.db2.gz KGHZLQZCNWOXKK-UHFFFAOYSA-N -1 3 308.378 3.155 20 10 DGCDHM COc1ccc2c(c1)N(C(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000856076346 620958181 /nfs/dbraw/zinc/95/81/81/620958181.db2.gz BMXPYGGSPFBVDK-UHFFFAOYSA-N -1 3 313.353 3.008 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1nc2c(s1)CCCC2 ZINC000922699818 621084726 /nfs/dbraw/zinc/08/47/26/621084726.db2.gz HZZQZOJOWDRACD-UHFFFAOYSA-N -1 3 310.369 3.296 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1O ZINC000808098292 621385805 /nfs/dbraw/zinc/38/58/05/621385805.db2.gz ILJFQTUPNJPATL-UHFFFAOYSA-N -1 3 313.325 3.439 20 10 DGCDHM [O-]c1ccc(F)cc1CN[C@H](c1nccs1)C(F)(F)F ZINC000862431299 621588456 /nfs/dbraw/zinc/58/84/56/621588456.db2.gz HEYFNPZUILBEAS-SNVBAGLBSA-N -1 3 306.284 3.381 20 10 DGCDHM CC(C)CCO[C@H]1CC[C@H](NC(=O)c2cccc(O)c2[O-])CC1 ZINC000862897634 621625769 /nfs/dbraw/zinc/62/57/69/621625769.db2.gz ACQXMHSLPKZWIF-HDJSIYSDSA-N -1 3 321.417 3.202 20 10 DGCDHM C[C@H](N[C@@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713036 621659937 /nfs/dbraw/zinc/65/99/37/621659937.db2.gz SNGYICKWAUVLAZ-VFZGTOFNSA-N -1 3 311.303 3.194 20 10 DGCDHM CC(C)(C)c1nnc(CNCc2cc(Cl)ccc2[O-])s1 ZINC000758488255 621784621 /nfs/dbraw/zinc/78/46/21/621784621.db2.gz MQXBZQXDIADQML-UHFFFAOYSA-N -1 3 311.838 3.484 20 10 DGCDHM Cn1nc(CNCc2cccc(Cl)c2[O-])c2ccccc21 ZINC000761225593 621995580 /nfs/dbraw/zinc/99/55/80/621995580.db2.gz JUCDJFIJMYOYPZ-UHFFFAOYSA-N -1 3 301.777 3.222 20 10 DGCDHM C[C@H](N1CCN(Cc2c([O-])cccc2Cl)CC1)C(F)(F)F ZINC000769554308 622540216 /nfs/dbraw/zinc/54/02/16/622540216.db2.gz NFVGKFQXTRFWFI-JTQLQIEISA-N -1 3 322.758 3.114 20 10 DGCDHM Cc1cccn2cc(CNCc3c([O-])cccc3Cl)nc12 ZINC000124002563 622870947 /nfs/dbraw/zinc/87/09/47/622870947.db2.gz NSAFIOXYBFQDLF-UHFFFAOYSA-N -1 3 301.777 3.292 20 10 DGCDHM Cc1cc(N[C@@H](C)c2ccc(F)cc2[O-])cc(OCCO)c1 ZINC000774508617 623153460 /nfs/dbraw/zinc/15/34/60/623153460.db2.gz KSONSQSLTWJCPH-LBPRGKRZSA-N -1 3 305.349 3.384 20 10 DGCDHM COc1c([O-])c(CNc2cc(C)cc(F)c2)ccc1[N+](=O)[O-] ZINC000774937272 623209630 /nfs/dbraw/zinc/20/96/30/623209630.db2.gz WYBSOQCWCSRTGD-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM Cc1cc(NCc2c([O-])cccc2Cl)cc(OCCO)c1 ZINC000775034531 623219100 /nfs/dbraw/zinc/21/91/00/623219100.db2.gz UKNPQJXNUFYOPZ-UHFFFAOYSA-N -1 3 307.777 3.337 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)CN1C ZINC000775987671 623361170 /nfs/dbraw/zinc/36/11/70/623361170.db2.gz VZQRUYNTGBPJGI-NXEZZACHSA-N -1 3 303.233 3.223 20 10 DGCDHM Cc1cc(Br)c([O-])c(CNc2ccncc2F)c1 ZINC000776265757 623404446 /nfs/dbraw/zinc/40/44/46/623404446.db2.gz PAQJHBMQQLASAY-UHFFFAOYSA-N -1 3 311.154 3.031 20 10 DGCDHM Cc1nc2ccc(NC(=O)c3cccc(O)c3[O-])cc2s1 ZINC000776326501 623411929 /nfs/dbraw/zinc/41/19/29/623411929.db2.gz INJWCXLDLBZZKU-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)c([O-])c1O ZINC000780905509 623996017 /nfs/dbraw/zinc/99/60/17/623996017.db2.gz REPBAGKVPVEEOT-UHFFFAOYSA-N -1 3 306.387 3.413 20 10 DGCDHM CC1(C)N[C@@H](c2cc(F)ccc2[O-])N(CC2CCCCC2)C1=O ZINC000877857506 624071590 /nfs/dbraw/zinc/07/15/90/624071590.db2.gz SMSOETJEPJIBFN-MRXNPFEDSA-N -1 3 320.408 3.321 20 10 DGCDHM O=C(Nc1cccc(N2CCCCC2)c1)c1cccc2n[n-]nc21 ZINC000783570267 624367671 /nfs/dbraw/zinc/36/76/71/624367671.db2.gz KAIVCYRAAHNMDY-UHFFFAOYSA-N -1 3 321.384 3.201 20 10 DGCDHM O=C(Nc1ccc(OC(F)(F)F)cc1[O-])C1=CC(=O)CS1 ZINC000785422498 624664701 /nfs/dbraw/zinc/66/47/01/624664701.db2.gz TZXJMGPUNDEPQI-UHFFFAOYSA-N -1 3 319.260 3.310 20 10 DGCDHM Cc1ccc(-n2cc(NC(=O)c3cccc(O)c3[O-])cn2)c(C)c1 ZINC000787406391 625007423 /nfs/dbraw/zinc/00/74/23/625007423.db2.gz JZXWQZDMSSLVNY-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM COc1cnccc1[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000790993322 625733299 /nfs/dbraw/zinc/73/32/99/625733299.db2.gz TXAQEEUCKBSMJU-SECBINFHSA-N -1 3 310.756 3.439 20 10 DGCDHM CCCOc1ncccc1CNCc1cc(F)cc(F)c1[O-] ZINC000882923242 625861906 /nfs/dbraw/zinc/86/19/06/625861906.db2.gz ZISLVKOXDXPZHN-UHFFFAOYSA-N -1 3 308.328 3.144 20 10 DGCDHM CCc1ccc([C@H](COC)NCc2cc(F)cc(F)c2[O-])o1 ZINC000883017797 625898562 /nfs/dbraw/zinc/89/85/62/625898562.db2.gz BHPBMUVYIILBKI-AWEZNQCLSA-N -1 3 311.328 3.303 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(CCCO)CC1 ZINC000792173378 625919655 /nfs/dbraw/zinc/91/96/55/625919655.db2.gz DWFYWTFFQDQOHS-UHFFFAOYSA-N -1 3 301.789 3.169 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H]1CCOc2c(F)cccc21 ZINC000883099205 625926867 /nfs/dbraw/zinc/92/68/67/625926867.db2.gz MQKUBTICYUZEFS-CQSZACIVSA-N -1 3 309.287 3.423 20 10 DGCDHM CC[C@H](NCc1cn2ccsc2n1)c1ccc(F)cc1[O-] ZINC000796706982 626075094 /nfs/dbraw/zinc/07/50/94/626075094.db2.gz BXHGVFIKIKQJFX-ZDUSSCGKSA-N -1 3 305.378 3.481 20 10 DGCDHM C[C@@H](N[C@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551595 627161802 /nfs/dbraw/zinc/16/18/02/627161802.db2.gz KOQNRYRESHWTLC-DOMZBBRYSA-N -1 3 320.408 3.116 20 10 DGCDHM CNC(=O)C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886605043 627171445 /nfs/dbraw/zinc/17/14/45/627171445.db2.gz IMSYXFMRRGDFEJ-IUODEOHRSA-N -1 3 316.376 3.059 20 10 DGCDHM C[C@H](N[C@@H](CCO)c1ccccc1F)c1c([O-])cccc1F ZINC000886630309 627176630 /nfs/dbraw/zinc/17/66/30/627176630.db2.gz ZNLQOIUMQPZPQV-NHYWBVRUSA-N -1 3 307.340 3.445 20 10 DGCDHM C[C@@H](O)[C@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631620 627177345 /nfs/dbraw/zinc/17/73/45/627177345.db2.gz RHQGGIYCUAVXMW-RVPKQNPDSA-N -1 3 307.340 3.443 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])nn1C1CCCCC1 ZINC000812302592 627369034 /nfs/dbraw/zinc/36/90/34/627369034.db2.gz WCUUVZAEYALMHX-UHFFFAOYSA-N -1 3 315.373 3.360 20 10 DGCDHM Cc1cc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])ncn1 ZINC000815599548 627689956 /nfs/dbraw/zinc/68/99/56/627689956.db2.gz VRWKQVMJXBJVLB-SNVBAGLBSA-N -1 3 311.307 3.360 20 10 DGCDHM C[C@@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000815632321 627692942 /nfs/dbraw/zinc/69/29/42/627692942.db2.gz JXMBLJMNMWZQGJ-MRVPVSSYSA-N -1 3 307.300 3.334 20 10 DGCDHM CC(C)c1nnc2n1CCN(Cc1ccc3ccccc3c1[O-])C2 ZINC000816506310 627798425 /nfs/dbraw/zinc/79/84/25/627798425.db2.gz XZZLQCSXXOZRHZ-UHFFFAOYSA-N -1 3 322.412 3.276 20 10 DGCDHM CC(C)OC(=O)[C@@H](C)N(C)Cc1ccc2ccccc2c1[O-] ZINC000816516932 627799796 /nfs/dbraw/zinc/79/97/96/627799796.db2.gz XKXMDUBAXGZVIW-CYBMUJFWSA-N -1 3 301.386 3.317 20 10 DGCDHM Cc1cccn2cc(CNCc3cc(Cl)c(F)cc3[O-])nc12 ZINC000816563369 627808386 /nfs/dbraw/zinc/80/83/86/627808386.db2.gz VZTAGNSGPSQREI-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM CC(C)(C)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000816560693 627808524 /nfs/dbraw/zinc/80/85/24/627808524.db2.gz XMVVMXNXNDFUIL-XHDPSFHLSA-N -1 3 315.816 3.414 20 10 DGCDHM C[C@@H](NCc1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC000816571213 627809762 /nfs/dbraw/zinc/80/97/62/627809762.db2.gz WBNRABHWAZHJAM-GFCCVEGCSA-N -1 3 301.386 3.365 20 10 DGCDHM COc1cnccc1[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000816586198 627811576 /nfs/dbraw/zinc/81/15/76/627811576.db2.gz CGFCIAKARDJHDP-VIFPVBQESA-N -1 3 310.756 3.439 20 10 DGCDHM CCC(CC)(C[NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC000818630019 628045285 /nfs/dbraw/zinc/04/52/85/628045285.db2.gz XWGDBLPGXIMXMM-UHFFFAOYSA-N -1 3 315.797 3.035 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1C[C@H]2CCCCN2c2ccccc21 ZINC000819021284 628079634 /nfs/dbraw/zinc/07/96/34/628079634.db2.gz XZEALRBOTUCHQU-CYBMUJFWSA-N -1 3 324.380 3.117 20 10 DGCDHM C[C@@H](OC1CCCCCC1)C(=O)NCc1c([O-])cccc1F ZINC000928705190 628179690 /nfs/dbraw/zinc/17/96/90/628179690.db2.gz HAMKFIWGNIHUDX-GFCCVEGCSA-N -1 3 309.381 3.275 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(Cc2ccc(F)cc2)CC1 ZINC000928708406 628180014 /nfs/dbraw/zinc/18/00/14/628180014.db2.gz KTUWOZIZRXRAOI-UHFFFAOYSA-N -1 3 317.335 3.310 20 10 DGCDHM CC(C)c1ccccc1OCC(=O)NCc1c([O-])cccc1F ZINC000928710254 628180023 /nfs/dbraw/zinc/18/00/23/628180023.db2.gz RJFXEMHKOYNLIP-UHFFFAOYSA-N -1 3 317.360 3.350 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000928710250 628180157 /nfs/dbraw/zinc/18/01/57/628180157.db2.gz RGKMHVPTSSFTFE-UONOGXRCSA-N -1 3 317.335 3.480 20 10 DGCDHM Cc1cccc(CO[C@@H](C)C(=O)NCc2c([O-])cccc2F)c1 ZINC000928709649 628180335 /nfs/dbraw/zinc/18/03/35/628180335.db2.gz KHWMDFIQFWTPCA-ZDUSSCGKSA-N -1 3 317.360 3.061 20 10 DGCDHM CC(C)(C)c1cnc(Sc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000819966081 628206270 /nfs/dbraw/zinc/20/62/70/628206270.db2.gz VVWKALUHCPJIPA-UHFFFAOYSA-N -1 3 318.431 3.167 20 10 DGCDHM CC(C)(C)c1cnc(Sc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000819966081 628206274 /nfs/dbraw/zinc/20/62/74/628206274.db2.gz VVWKALUHCPJIPA-UHFFFAOYSA-N -1 3 318.431 3.167 20 10 DGCDHM C[C@H]1CCN(Cc2ccc(Br)cc2[O-])C[C@@H]1F ZINC000825440811 628762146 /nfs/dbraw/zinc/76/21/46/628762146.db2.gz LDOORQMCGDKLGI-CABZTGNLSA-N -1 3 302.187 3.335 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H](C)[S@]1=O ZINC000825886828 628807462 /nfs/dbraw/zinc/80/74/62/628807462.db2.gz QQVPFVHTYVVBCR-SZZPBAKOSA-N -1 3 315.866 3.085 20 10 DGCDHM Cc1cc([O-])c(CNCc2nn(C)cc2Cl)cc1Cl ZINC000826054592 628823743 /nfs/dbraw/zinc/82/37/43/628823743.db2.gz ZCJNZRZJTIIZHL-UHFFFAOYSA-N -1 3 300.189 3.031 20 10 DGCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@H](CC(F)(F)F)O1 ZINC000827787109 628991021 /nfs/dbraw/zinc/99/10/21/628991021.db2.gz MIOJUKQUNMDJQU-JOYOIKCWSA-N -1 3 307.287 3.073 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840956713 630384908 /nfs/dbraw/zinc/38/49/08/630384908.db2.gz CSLURHRDQUVURS-GDBMZVCRSA-N -1 3 321.779 3.493 20 10 DGCDHM C[C@H](O)[C@H](NCc1c([O-])cccc1Cl)c1ccccc1F ZINC000846018272 631206192 /nfs/dbraw/zinc/20/61/92/631206192.db2.gz SGQDPFRSZKOVON-QFYYESIMSA-N -1 3 309.768 3.396 20 10 DGCDHM CC(C)(C)OC(=O)CN(Cc1cccc(F)c1[O-])CC1CC1 ZINC000846051954 631208300 /nfs/dbraw/zinc/20/83/00/631208300.db2.gz AAAZLFHYGHSXHG-UHFFFAOYSA-N -1 3 309.381 3.085 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846111838 631210139 /nfs/dbraw/zinc/21/01/39/631210139.db2.gz NXQJMMWEXWHUEX-AOOOYVTPSA-N -1 3 318.161 3.160 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)[C@@H](C)CO1 ZINC000707143455 660888235 /nfs/dbraw/zinc/88/82/35/660888235.db2.gz SHQUEZHEJBJJKV-WDEREUQCSA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1cc2sc(NC(=O)c3cccc(O)c3[O-])nc2cc1F ZINC000794253519 661074771 /nfs/dbraw/zinc/07/47/71/661074771.db2.gz OVZSENRMUYRQKF-UHFFFAOYSA-N -1 3 318.329 3.407 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(-c3cnco3)cc2)c([O-])c1O ZINC000179438643 655892930 /nfs/dbraw/zinc/89/29/30/655892930.db2.gz JZJDHBCXTIIFQT-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM C[C@@H]1CSCCN1Cc1cccc(Br)c1[O-] ZINC000179664086 655911006 /nfs/dbraw/zinc/91/10/06/655911006.db2.gz QTWWDVWLRNPXTH-SECBINFHSA-N -1 3 302.237 3.092 20 10 DGCDHM CCCCc1nnc(NC(=O)NCc2c([O-])cccc2F)s1 ZINC000929252611 661291074 /nfs/dbraw/zinc/29/10/74/661291074.db2.gz RULJJPPLNGNWQV-UHFFFAOYSA-N -1 3 324.381 3.047 20 10 DGCDHM Cc1cccc(N2CCN(Cc3cccc(F)c3[O-])CC2)c1C ZINC000321657590 658143656 /nfs/dbraw/zinc/14/36/56/658143656.db2.gz NMGYIRWODSIDQY-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM CCOC(=O)CN(Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC000179912771 659946187 /nfs/dbraw/zinc/94/61/87/659946187.db2.gz JVEXRBOXSDHCOA-UHFFFAOYSA-N -1 3 317.360 3.097 20 10 DGCDHM CCCCn1ncc(NC(=O)NCc2c([O-])cccc2F)c1C ZINC000930479948 661402755 /nfs/dbraw/zinc/40/27/55/661402755.db2.gz OEMGZCAKOXIXSJ-UHFFFAOYSA-N -1 3 320.368 3.158 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(Cc2ccoc2)C2CC2)c1[O-] ZINC000934004462 661672852 /nfs/dbraw/zinc/67/28/52/661672852.db2.gz LWQOWDXLUYCUSN-UHFFFAOYSA-N -1 3 303.333 3.492 20 10 DGCDHM CCOc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC001590837439 1192539943 /nfs/dbraw/zinc/53/99/43/1192539943.db2.gz PULOFFYWUHSTBG-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM CCOc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC001590837439 1192539980 /nfs/dbraw/zinc/53/99/80/1192539980.db2.gz PULOFFYWUHSTBG-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM CCOc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001590837641 1192543123 /nfs/dbraw/zinc/54/31/23/1192543123.db2.gz SULIDWBGPXZKGU-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM CCOc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001590837641 1192543158 /nfs/dbraw/zinc/54/31/58/1192543158.db2.gz SULIDWBGPXZKGU-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592259267 1192606796 /nfs/dbraw/zinc/60/67/96/1192606796.db2.gz KPOBGAYPDFFRNW-CHWSQXEVSA-N -1 3 323.400 3.293 20 10 DGCDHM O=C([N-]Cc1c(O)cccc1F)C(F)(F)c1ccc(F)cc1 ZINC001596913431 1192710997 /nfs/dbraw/zinc/71/09/97/1192710997.db2.gz YJTTUPSRFIIMAZ-UHFFFAOYSA-N -1 3 313.250 3.079 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C(F)(F)c1ccc(F)cc1 ZINC001596913431 1192711000 /nfs/dbraw/zinc/71/10/00/1192711000.db2.gz YJTTUPSRFIIMAZ-UHFFFAOYSA-N -1 3 313.250 3.079 20 10 DGCDHM C[C@@]1(CNC(=O)c2cccc(O)c2[O-])CCCc2ccccc21 ZINC001598439034 1192774384 /nfs/dbraw/zinc/77/43/84/1192774384.db2.gz BCOHGIYOFGDRMF-IBGZPJMESA-N -1 3 311.381 3.122 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cnn(C2CCCCC2)c1 ZINC001332466501 1178452760 /nfs/dbraw/zinc/45/27/60/1178452760.db2.gz YYWSRTLXTLFFNO-UHFFFAOYSA-N -1 3 317.364 3.163 20 10 DGCDHM Cc1noc(C)c1[C@@H](C)N[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808649 1192899951 /nfs/dbraw/zinc/89/99/51/1192899951.db2.gz WTFRGMPSDHZFEH-RKDXNWHRSA-N -1 3 304.346 3.107 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@](C)(C(F)F)C2)c(Cl)c1 ZINC001334057730 1178714249 /nfs/dbraw/zinc/71/42/49/1178714249.db2.gz LIDGSPNKDMXVFJ-AWEZNQCLSA-N -1 3 305.752 3.210 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)c(F)cc1F ZINC001200234183 1180471999 /nfs/dbraw/zinc/47/19/99/1180471999.db2.gz ZTWOBUABFPZANQ-UHFFFAOYSA-N -1 3 314.238 3.270 20 10 DGCDHM CSCCO[N-]C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001448869679 1182217347 /nfs/dbraw/zinc/21/73/47/1182217347.db2.gz JPPVSBAPGPSTJX-UHFFFAOYSA-N -1 3 318.442 3.047 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC001468787081 1183359394 /nfs/dbraw/zinc/35/93/94/1183359394.db2.gz OEYMOCJYFGYXRF-FRRDWIJNSA-N -1 3 306.381 3.299 20 10 DGCDHM CSCC1(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001607393099 1193226845 /nfs/dbraw/zinc/22/68/45/1193226845.db2.gz HKCHFRACINKFEU-NSHDSACASA-N -1 3 309.431 3.274 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(F)(F)CC[C@H]2C)c1[O-] ZINC001473880189 1183817971 /nfs/dbraw/zinc/81/79/71/1183817971.db2.gz SXRJFSSEQRDVIE-SECBINFHSA-N -1 3 301.308 3.354 20 10 DGCDHM C[C@@H](NCc1cc(Cl)cc(F)c1[O-])C(=O)Nc1ccccc1 ZINC001473996810 1183847299 /nfs/dbraw/zinc/84/72/99/1183847299.db2.gz ZSVASHBBVPKIFE-SNVBAGLBSA-N -1 3 322.767 3.302 20 10 DGCDHM Cc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(F)c(C)c2)c([O-])c1 ZINC001607783350 1193257174 /nfs/dbraw/zinc/25/71/74/1193257174.db2.gz ZNBGYIOXYNPPMV-INIZCTEOSA-N -1 3 303.333 3.064 20 10 DGCDHM COc1cc(NC(=O)NCc2c([O-])cccc2F)c(C)cc1C ZINC001476485163 1184041098 /nfs/dbraw/zinc/04/10/98/1184041098.db2.gz VDEBUTOQPLSLGY-UHFFFAOYSA-N -1 3 318.348 3.478 20 10 DGCDHM Cc1cccc2c1CC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC001477830723 1184114287 /nfs/dbraw/zinc/11/42/87/1184114287.db2.gz QYUJNINFVSOEPN-MRXNPFEDSA-N -1 3 314.360 3.326 20 10 DGCDHM O=C([O-])[C@]1(F)CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC001608575688 1193294555 /nfs/dbraw/zinc/29/45/55/1193294555.db2.gz NEIBQHBRKPQLTD-SFHVURJKSA-N -1 3 315.344 3.058 20 10 DGCDHM O=C([O-])[C@]1(F)CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC001608575688 1193294559 /nfs/dbraw/zinc/29/45/59/1193294559.db2.gz NEIBQHBRKPQLTD-SFHVURJKSA-N -1 3 315.344 3.058 20 10 DGCDHM C[C@H](CCc1ccco1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609740392 1193353383 /nfs/dbraw/zinc/35/33/83/1193353383.db2.gz DYIQMBDSGXAFQH-VXGBXAGGSA-N -1 3 303.358 3.355 20 10 DGCDHM C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609750097 1193354139 /nfs/dbraw/zinc/35/41/39/1193354139.db2.gz MCYZRWMVPGJAFK-GHMZBOCLSA-N -1 3 305.399 3.434 20 10 DGCDHM C[C@H](N[C@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774830 1193355148 /nfs/dbraw/zinc/35/51/48/1193355148.db2.gz CAAXWAVOIHIBMT-ZBEGNZNMSA-N -1 3 313.353 3.013 20 10 DGCDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778269 1193355647 /nfs/dbraw/zinc/35/56/47/1193355647.db2.gz YKHCGBQDGBZDPJ-IAQYHMDHSA-N -1 3 304.415 3.291 20 10 DGCDHM C[C@H](N[C@@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778273 1193355830 /nfs/dbraw/zinc/35/58/30/1193355830.db2.gz YKHCGBQDGBZDPJ-XHDPSFHLSA-N -1 3 304.415 3.291 20 10 DGCDHM CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCC2 ZINC001610034666 1193373059 /nfs/dbraw/zinc/37/30/59/1193373059.db2.gz UBSMXLTVBNFHKB-KNXALSJPSA-N -1 3 319.401 3.089 20 10 DGCDHM O=C(CCSCc1ccccc1)NCc1c([O-])cccc1F ZINC001558454822 1189126213 /nfs/dbraw/zinc/12/62/13/1189126213.db2.gz NAMHVMBZORRNHT-UHFFFAOYSA-N -1 3 319.401 3.471 20 10 DGCDHM O=C(CCSc1ccccc1F)NCc1c([O-])cccc1F ZINC001558454244 1189126396 /nfs/dbraw/zinc/12/63/96/1189126396.db2.gz CJSBOESNOZGCDP-UHFFFAOYSA-N -1 3 323.364 3.469 20 10 DGCDHM COc1ccncc1NCc1cc(C)cc(Br)c1[O-] ZINC001560407924 1189324704 /nfs/dbraw/zinc/32/47/04/1189324704.db2.gz NIEIMJRUSLHNCR-UHFFFAOYSA-N -1 3 323.190 3.479 20 10 DGCDHM O=c1[nH]c2cc(CNCc3c([O-])ccc(Cl)c3F)ccc2o1 ZINC001560580475 1189344139 /nfs/dbraw/zinc/34/41/39/1189344139.db2.gz WUFSWNNNZNXGSD-UHFFFAOYSA-N -1 3 322.723 3.321 20 10 DGCDHM [O-]c1c(F)c(F)ccc1CN[C@@H](CO)c1ccc(Cl)cc1 ZINC001560954486 1189410399 /nfs/dbraw/zinc/41/03/99/1189410399.db2.gz RIHMJEXZIWJCHQ-ZDUSSCGKSA-N -1 3 313.731 3.147 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCC[C@H]1C1CC1 ZINC001564921807 1189607002 /nfs/dbraw/zinc/60/70/02/1189607002.db2.gz MCLMPUHCDXXVMJ-OLZOCXBDSA-N -1 3 306.381 3.157 20 10 DGCDHM C[C@@H](N1CCN(Cc2ccc(Cl)cc2[O-])CC1)C(F)(F)F ZINC001621132545 1193807114 /nfs/dbraw/zinc/80/71/14/1193807114.db2.gz YRANUOXIBVVRQQ-SNVBAGLBSA-N -1 3 322.758 3.114 20 10 DGCDHM C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)c1cccc(O)c1[O-] ZINC001621177341 1193813183 /nfs/dbraw/zinc/81/31/83/1193813183.db2.gz YFPBDGRJTPQCMU-HWPZZCPQSA-N -1 3 315.344 3.290 20 10 DGCDHM COCCCN(Cc1ccncc1)Cc1cc(F)c(F)cc1[O-] ZINC001621312509 1193829513 /nfs/dbraw/zinc/82/95/13/1193829513.db2.gz TZAHGBVYJAMMQA-UHFFFAOYSA-N -1 3 322.355 3.104 20 10 DGCDHM C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001631953747 1194364057 /nfs/dbraw/zinc/36/40/57/1194364057.db2.gz HVAVAACVYXSOIL-WDEREUQCSA-N -1 3 315.344 3.385 20 10 DGCDHM Cc1ccc(F)c2[nH]c(C(=O)NCc3c([O-])cccc3F)cc21 ZINC001638864125 1194741233 /nfs/dbraw/zinc/74/12/33/1194741233.db2.gz WKPLEOHWPWBWFF-UHFFFAOYSA-N -1 3 316.307 3.390 20 10 DGCDHM COc1ccccc1/C(C)=C\C(=O)NCc1c([O-])cccc1F ZINC001638864358 1194741329 /nfs/dbraw/zinc/74/13/29/1194741329.db2.gz XTXWHBQFDRICBQ-BENRWUELSA-N -1 3 315.344 3.260 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)c([O-])c1O ZINC001640244002 1194803654 /nfs/dbraw/zinc/80/36/54/1194803654.db2.gz DLYJCRNHEYETAF-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM CCON(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC001642249596 1194895577 /nfs/dbraw/zinc/89/55/77/1194895577.db2.gz FEVQCMATJAQBMG-UHFFFAOYSA-N -1 3 301.342 3.000 20 10 DGCDHM CC[C@H](Oc1ccccc1C)C(=O)NCc1c([O-])cccc1F ZINC001645048330 1195152290 /nfs/dbraw/zinc/15/22/90/1195152290.db2.gz QHSREBNWMGOVGJ-INIZCTEOSA-N -1 3 317.360 3.314 20 10 DGCDHM CC(C)Cc1ncc(C(=O)NCc2c([O-])cccc2F)s1 ZINC001645051182 1195153644 /nfs/dbraw/zinc/15/36/44/1195153644.db2.gz ZGQFNLNWYUAJAR-UHFFFAOYSA-N -1 3 308.378 3.116 20 10 DGCDHM Cc1c(Cl)cccc1OCC(=O)NCc1c([O-])cccc1F ZINC001646034551 1195211585 /nfs/dbraw/zinc/21/15/85/1195211585.db2.gz MABFADYUSIKLAV-UHFFFAOYSA-N -1 3 323.751 3.188 20 10 DGCDHM C[C@H]1COc2ccccc2CN1Cc1cc(F)c(F)cc1[O-] ZINC001658831239 1196307375 /nfs/dbraw/zinc/30/73/75/1196307375.db2.gz VORIGRGHVXZXKA-NSHDSACASA-N -1 3 305.324 3.454 20 10 DGCDHM CC(C)C1(O)CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001659089946 1196343364 /nfs/dbraw/zinc/34/33/64/1196343364.db2.gz YYKHZYSSQZCYNI-UHFFFAOYSA-N -1 3 301.789 3.168 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1C[C@H](CO)Cc2ccccc21 ZINC001659317144 1196370200 /nfs/dbraw/zinc/37/02/00/1196370200.db2.gz XCRHJRQNUIDNFL-GFCCVEGCSA-N -1 3 303.789 3.217 20 10 DGCDHM [O-]c1c(F)cccc1CN[C@@H]1CCc2ccccc2-n2ccnc21 ZINC001659697431 1196406198 /nfs/dbraw/zinc/40/61/98/1196406198.db2.gz NOGRCEVZNZSOOH-MRXNPFEDSA-N -1 3 323.371 3.494 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cc1C ZINC000235879064 1202604841 /nfs/dbraw/zinc/60/48/41/1202604841.db2.gz OLEYJUADNUYQTI-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM C[C@H](COc1ccccc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592782804 979419861 /nfs/dbraw/zinc/41/98/61/979419861.db2.gz MBPSHKDUXAPRPV-CHWSQXEVSA-N -1 3 315.369 3.209 20 10 DGCDHM CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccncc1 ZINC001595278116 980308736 /nfs/dbraw/zinc/30/87/36/980308736.db2.gz ACDFZNLUWSCKRP-ABAIWWIYSA-N -1 3 300.358 3.287 20 10 DGCDHM C[N@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccc1[O-] ZINC001598517955 992641523 /nfs/dbraw/zinc/64/15/23/992641523.db2.gz NWOZAJMEMFUAJU-UHFFFAOYSA-N -1 3 311.381 3.140 20 10 DGCDHM C[N@@H+](Cc1ccc(C2(C(=O)[O-])CC2)cc1)Cc1ccccc1[O-] ZINC001598517955 992641525 /nfs/dbraw/zinc/64/15/25/992641525.db2.gz NWOZAJMEMFUAJU-UHFFFAOYSA-N -1 3 311.381 3.140 20 10 DGCDHM COC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCC(C)CC1 ZINC001599091183 997194446 /nfs/dbraw/zinc/19/44/46/997194446.db2.gz LETPRSHPOQLEPO-YNAXMUEKSA-N -1 3 321.417 3.336 20 10 DGCDHM Cn1ccnc1[C@@H](NCc1ccc(Cl)cc1[O-])C(F)(F)F ZINC001184429077 1084182164 /nfs/dbraw/zinc/18/21/64/1084182164.db2.gz SMZRWMOADAQBQQ-LLVKDONJSA-N -1 3 319.714 3.172 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1[C@@H](CO)CCC[C@H]1C(F)(F)F ZINC001203651670 1084736553 /nfs/dbraw/zinc/73/65/53/1084736553.db2.gz SBDBOSBDVKUGOU-YPMHNXCESA-N -1 3 323.742 3.323 20 10 DGCDHM O=C1CCC2(CC1)CCN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142527479 1087278152 /nfs/dbraw/zinc/27/81/52/1087278152.db2.gz WIHHSQZXECEQDQ-UHFFFAOYSA-N -1 3 309.356 3.396 20 10 DGCDHM C/C(=C/C(=O)NCc1c([O-])cccc1F)c1cccc(F)c1 ZINC001156171239 1089417130 /nfs/dbraw/zinc/41/71/30/1089417130.db2.gz YOXHRFKJDCYAMG-FLIBITNWSA-N -1 3 303.308 3.390 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@@]1(C)O ZINC001236792618 1089863598 /nfs/dbraw/zinc/86/35/98/1089863598.db2.gz GEJONENKFSAQHU-LKFCYVNXSA-N -1 3 304.217 3.292 20 10 DGCDHM COC(=O)[C@H](C(C)C)N(C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236799257 1089902702 /nfs/dbraw/zinc/90/27/02/1089902702.db2.gz MZHDHABHRRHLAS-ZDUSSCGKSA-N -1 3 320.216 3.328 20 10 DGCDHM C[C@H](c1ccccc1)n1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC001162838814 1089985739 /nfs/dbraw/zinc/98/57/39/1089985739.db2.gz GDVMWNBLWYQKMA-GFCCVEGCSA-N -1 3 323.352 3.156 20 10 DGCDHM C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)[C@H]1CO ZINC001237077703 1090283570 /nfs/dbraw/zinc/28/35/70/1090283570.db2.gz JNDADOPHGALDSG-SKDRFNHKSA-N -1 3 304.217 3.292 20 10 DGCDHM COc1cnnc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168528342 1090358746 /nfs/dbraw/zinc/35/87/46/1090358746.db2.gz TZAOMQMWPYBVQU-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(CCCO2)C1 ZINC001203574478 1090759411 /nfs/dbraw/zinc/75/94/11/1090759411.db2.gz YAYLAOBDFMTDMG-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM CN1CCN(Cc2c([O-])cccc2F)[C@@H](c2ccccc2)C1 ZINC001137831949 1091093476 /nfs/dbraw/zinc/09/34/76/1091093476.db2.gz UHADBIWXCDRJBP-QGZVFWFLSA-N -1 3 300.377 3.020 20 10 DGCDHM [O-]c1cccc(F)c1CN1CC[C@H]1COCc1ccccc1 ZINC001137837729 1091208650 /nfs/dbraw/zinc/20/86/50/1091208650.db2.gz SDWGMEGUQBTAFQ-HNNXBMFYSA-N -1 3 301.361 3.322 20 10 DGCDHM NC(=O)N=Nc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC001295350706 1091553622 /nfs/dbraw/zinc/55/36/22/1091553622.db2.gz KQZLALSSMRLLSL-UHFFFAOYSA-N -1 3 318.720 3.460 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001139685290 1091640945 /nfs/dbraw/zinc/64/09/45/1091640945.db2.gz VULUPNZPXFNFOM-CYBMUJFWSA-N -1 3 305.324 3.324 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCOC[C@H]1c1cccnc1 ZINC001140464607 1091877088 /nfs/dbraw/zinc/87/70/88/1091877088.db2.gz WUZCYXXMFAGTHS-HNNXBMFYSA-N -1 3 304.777 3.014 20 10 DGCDHM CCOCc1noc2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001140466015 1091878819 /nfs/dbraw/zinc/87/88/19/1091878819.db2.gz YQSIDCQKXSKEDU-UHFFFAOYSA-N -1 3 322.792 3.128 20 10 DGCDHM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001298514747 1092067418 /nfs/dbraw/zinc/06/74/18/1092067418.db2.gz ZIURPFJMXNWWDH-CABCVRRESA-N -1 3 311.381 3.412 20 10 DGCDHM CN(CCC(=O)c1ccccc1)Cc1cc(F)c(F)cc1[O-] ZINC001142524697 1092494918 /nfs/dbraw/zinc/49/49/18/1092494918.db2.gz HIVDIJRJDDLDQR-UHFFFAOYSA-N -1 3 305.324 3.375 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H]1COCc1ccccc1 ZINC001142524974 1092495013 /nfs/dbraw/zinc/49/50/13/1092495013.db2.gz RMEMAAMKVFUJAH-HNNXBMFYSA-N -1 3 319.351 3.462 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccnc3ccccc32)no1 ZINC001215145915 1093926870 /nfs/dbraw/zinc/92/68/70/1093926870.db2.gz QVTJJGFSMPHNRE-UHFFFAOYSA-N -1 3 305.293 3.363 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001215145844 1093927097 /nfs/dbraw/zinc/92/70/97/1093927097.db2.gz MKAKSLMIPUTRII-UHFFFAOYSA-N -1 3 323.230 3.229 20 10 DGCDHM Cc1cc(F)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1F ZINC001215325288 1093960887 /nfs/dbraw/zinc/96/08/87/1093960887.db2.gz KHKRZVXNXXNDBB-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM CCOc1cccc(C[N@@H+]2CCCC[C@H]2CCC(=O)[O-])c1[O-] ZINC000316286688 1095166141 /nfs/dbraw/zinc/16/61/41/1095166141.db2.gz KXYHZIGQTHBQLY-AWEZNQCLSA-N -1 3 307.390 3.010 20 10 DGCDHM CCOc1cccc(C[N@H+]2CCCC[C@H]2CCC(=O)[O-])c1[O-] ZINC000316286688 1095166152 /nfs/dbraw/zinc/16/61/52/1095166152.db2.gz KXYHZIGQTHBQLY-AWEZNQCLSA-N -1 3 307.390 3.010 20 10 DGCDHM C[C@@]1(CF)CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298369 1095591742 /nfs/dbraw/zinc/59/17/42/1095591742.db2.gz CJVFSKBONBBWLU-ZDUSSCGKSA-N -1 3 320.177 3.475 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H]2C[C@@H]21 ZINC001144308237 1095602365 /nfs/dbraw/zinc/60/23/65/1095602365.db2.gz UHQJUAJINHDNTO-PELKAZGASA-N -1 3 300.171 3.278 20 10 DGCDHM CCCC[C@H](CC)COCCCNC(=O)c1cccc(O)c1[O-] ZINC001148220056 1096328265 /nfs/dbraw/zinc/32/82/65/1096328265.db2.gz NODXMKWNPIVUJZ-AWEZNQCLSA-N -1 3 323.433 3.451 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])c2ccsc2n1 ZINC001148212204 1096328589 /nfs/dbraw/zinc/32/85/89/1096328589.db2.gz QTLXWQWFTYMKFH-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM Cc1ccccc1CC(C)(C)CNC(=O)c1cccc(O)c1[O-] ZINC001148224507 1096330160 /nfs/dbraw/zinc/33/01/60/1096330160.db2.gz NWCXVMSWTNYICG-UHFFFAOYSA-N -1 3 313.397 3.405 20 10 DGCDHM Cc1ccc(CNC(=O)c2cc(O)c([O-])c(O)c2)c2ccccc12 ZINC001148589796 1096408606 /nfs/dbraw/zinc/40/86/06/1096408606.db2.gz LINWMRZTZJYGHW-UHFFFAOYSA-N -1 3 323.348 3.195 20 10 DGCDHM Cc1ccc(CCNC(=O)NCc2c([O-])cccc2F)cc1C ZINC001230788080 1097586378 /nfs/dbraw/zinc/58/63/78/1097586378.db2.gz GZLIYANWBIBAMT-UHFFFAOYSA-N -1 3 316.376 3.190 20 10 DGCDHM CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455019 1097753108 /nfs/dbraw/zinc/75/31/08/1097753108.db2.gz LRAKGNVSSSGXQY-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231455019 1097753109 /nfs/dbraw/zinc/75/31/09/1097753109.db2.gz LRAKGNVSSSGXQY-UHFFFAOYSA-N -1 3 303.333 3.252 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c1 ZINC001231565200 1097780209 /nfs/dbraw/zinc/78/02/09/1097780209.db2.gz AQTGJHNSNQTUHS-CQSZACIVSA-N -1 3 307.365 3.195 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c1 ZINC001231565199 1097780217 /nfs/dbraw/zinc/78/02/17/1097780217.db2.gz AQTGJHNSNQTUHS-AWEZNQCLSA-N -1 3 307.365 3.195 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001231565832 1097780726 /nfs/dbraw/zinc/78/07/26/1097780726.db2.gz KYHJRAUPQSCDLZ-OKILXGFUSA-N -1 3 309.365 3.177 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001231565832 1097780732 /nfs/dbraw/zinc/78/07/32/1097780732.db2.gz KYHJRAUPQSCDLZ-OKILXGFUSA-N -1 3 309.365 3.177 20 10 DGCDHM [O-]c1c(CN2CC3(C2)CC(F)(F)CO3)ccc2ccccc21 ZINC001231881556 1097877760 /nfs/dbraw/zinc/87/77/60/1097877760.db2.gz WOHLLZPASZSVKQ-UHFFFAOYSA-N -1 3 305.324 3.155 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC(Oc2ccccn2)CC1 ZINC001231911615 1097891120 /nfs/dbraw/zinc/89/11/20/1097891120.db2.gz ITDYJGWDDTWHTQ-UHFFFAOYSA-N -1 3 318.804 3.484 20 10 DGCDHM COc1cc([O-])c(CN2CCc3c(O)cccc3C2)cc1Cl ZINC001232266607 1097986636 /nfs/dbraw/zinc/98/66/36/1097986636.db2.gz PYAPTVSQCXCXBP-UHFFFAOYSA-N -1 3 319.788 3.318 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2cc([O-])c(F)c(F)c2)cc1 ZINC001232974833 1098189374 /nfs/dbraw/zinc/18/93/74/1098189374.db2.gz BVPQILRDVQSRQK-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM Cc1ccc(N2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233331599 1098292405 /nfs/dbraw/zinc/29/24/05/1098292405.db2.gz CSTBCLSSVYOTPU-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM Cc1ccccc1N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331982 1098292494 /nfs/dbraw/zinc/29/24/94/1098292494.db2.gz SKHTXBKNZACIGP-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM [O-]c1c(CN2CCC[C@]3(CCO3)C2)cccc1C(F)(F)F ZINC001233418389 1098324883 /nfs/dbraw/zinc/32/48/83/1098324883.db2.gz FKAZZSHORRJVDH-AWEZNQCLSA-N -1 3 301.308 3.166 20 10 DGCDHM [O-]c1c(CN2Cc3cncnc3C2)cccc1-c1ccccc1 ZINC001234989296 1098737416 /nfs/dbraw/zinc/73/74/16/1098737416.db2.gz CHZPKIKDOKZMOF-UHFFFAOYSA-N -1 3 303.365 3.365 20 10 DGCDHM [O-]c1c(CN2CCn3ccnc3C2)cccc1-c1ccccc1 ZINC001235003772 1098744621 /nfs/dbraw/zinc/74/46/21/1098744621.db2.gz XNBSJNLQAMRBCV-UHFFFAOYSA-N -1 3 305.381 3.272 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235067550 1098782014 /nfs/dbraw/zinc/78/20/14/1098782014.db2.gz WBIVEAWXBQVEBT-SWPVVBRQSA-N -1 3 318.161 3.226 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1Cc2ccc(Cl)cc21 ZINC001178413279 1098828330 /nfs/dbraw/zinc/82/83/30/1098828330.db2.gz PSQOGKVCLITUMP-LBPRGKRZSA-N -1 3 305.736 3.141 20 10 DGCDHM COc1cccc(/C(C)=C/C(=O)NCc2c([O-])cccc2F)c1 ZINC001178413461 1098829286 /nfs/dbraw/zinc/82/92/86/1098829286.db2.gz SEHSAWHAJLYUOY-FMIVXFBMSA-N -1 3 315.344 3.260 20 10 DGCDHM O=C(NCC[C@@H]1C[C@H]1Cc1ccccc1)c1cccc(O)c1[O-] ZINC001179960385 1099273573 /nfs/dbraw/zinc/27/35/73/1099273573.db2.gz WJSYSUQXNZGJEB-HUUCEWRRSA-N -1 3 311.381 3.097 20 10 DGCDHM Cc1c[nH]cc1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001187806894 1099607508 /nfs/dbraw/zinc/60/75/08/1099607508.db2.gz XYNGDEKECAOCIQ-UHFFFAOYSA-N -1 3 315.760 3.160 20 10 DGCDHM COc1cc([O-])c(CN(C)Cc2cccnc2C)c(Cl)c1 ZINC001236809573 1099799113 /nfs/dbraw/zinc/79/91/13/1099799113.db2.gz WUNWSPNZXFSPBV-UHFFFAOYSA-N -1 3 306.793 3.390 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@]2(CCCO2)C1 ZINC001237077118 1099956264 /nfs/dbraw/zinc/95/62/64/1099956264.db2.gz CYUUIEODBMLRAD-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM CCC1(O)CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237085244 1099965499 /nfs/dbraw/zinc/96/54/99/1099965499.db2.gz WBYUDUXURLLMNL-UHFFFAOYSA-N -1 3 304.217 3.436 20 10 DGCDHM Cc1cc([O-])c(CN2CC(OC(C)C)C2)cc1Br ZINC001237684098 1100215356 /nfs/dbraw/zinc/21/53/56/1100215356.db2.gz GVLGAUWCCMSAAO-UHFFFAOYSA-N -1 3 314.223 3.072 20 10 DGCDHM CCCCNC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001190630790 1100311908 /nfs/dbraw/zinc/31/19/08/1100311908.db2.gz ZYXBQHAYYOMLIQ-UHFFFAOYSA-N -1 3 307.781 3.193 20 10 DGCDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1cccc(N(C)C)c1 ZINC001194642994 1100980448 /nfs/dbraw/zinc/98/04/48/1100980448.db2.gz GSFJKFAVQRTYBX-UHFFFAOYSA-N -1 3 304.415 3.170 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1ccc(O)cc1 ZINC001195797042 1101204394 /nfs/dbraw/zinc/20/43/94/1101204394.db2.gz VKQGLQWGAVHTQJ-UHFFFAOYSA-N -1 3 315.350 3.052 20 10 DGCDHM CO[C@H]1CC[C@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001196887129 1101414842 /nfs/dbraw/zinc/41/48/42/1101414842.db2.gz FWACKQCCARECAJ-HZMBPMFUSA-N -1 3 311.809 3.248 20 10 DGCDHM CC[C@]1(C)COCCN1Cc1cc(Br)ccc1[O-] ZINC000687976988 1103181721 /nfs/dbraw/zinc/18/17/21/1103181721.db2.gz WMRXMMDVTMCLJA-CQSZACIVSA-N -1 3 314.223 3.156 20 10 DGCDHM O=C(N[C@@H](c1ccc(F)cc1F)C1CC1)c1cccc(O)c1[O-] ZINC001137068244 1103951548 /nfs/dbraw/zinc/95/15/48/1103951548.db2.gz BCUGBHDPYTWREL-OAHLLOKOSA-N -1 3 319.307 3.257 20 10 DGCDHM CCN1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1=O ZINC001248883444 1105186354 /nfs/dbraw/zinc/18/63/54/1105186354.db2.gz HIESMUSGPUWQIN-UHFFFAOYSA-N -1 3 324.852 3.007 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(-c3cccc(Cl)c3)o2)cc1O ZINC001253735032 1105976892 /nfs/dbraw/zinc/97/68/92/1105976892.db2.gz JJANBXQWRYQNKE-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001254512670 1106089051 /nfs/dbraw/zinc/08/90/51/1106089051.db2.gz KNYMFMOXTCWMDY-NEPJUHHUSA-N -1 3 310.309 3.125 20 10 DGCDHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1 ZINC001255323604 1106221563 /nfs/dbraw/zinc/22/15/63/1106221563.db2.gz QMWNCEIMLXXOOO-UHFFFAOYSA-N -1 3 309.362 3.456 20 10 DGCDHM CCOc1ncccc1CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC001321024309 1107225835 /nfs/dbraw/zinc/22/58/35/1107225835.db2.gz RYSAETMPGKVXIE-JTQLQIEISA-N -1 3 308.328 3.315 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1Cc2ccc(O)cc2C2(CC2)C1 ZINC001262111702 1107623013 /nfs/dbraw/zinc/62/30/13/1107623013.db2.gz NIJWKPQQFVUEOQ-UHFFFAOYSA-N -1 3 317.335 3.423 20 10 DGCDHM CC(=O)N(C)c1ccc(NCc2c([O-])cccc2Cl)cn1 ZINC001308441685 1111429417 /nfs/dbraw/zinc/42/94/17/1111429417.db2.gz OJVPOVYHOPHIKA-UHFFFAOYSA-N -1 3 305.765 3.035 20 10 DGCDHM CCCN(Cc1cc(F)c(F)cc1[O-])[C@@H](CC)C(=O)OCC ZINC001308685840 1111460772 /nfs/dbraw/zinc/46/07/72/1111460772.db2.gz JGNYPJYAKYILFL-AWEZNQCLSA-N -1 3 315.360 3.224 20 10 DGCDHM COC(=O)/C=C\c1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC001308974759 1111503217 /nfs/dbraw/zinc/50/32/17/1111503217.db2.gz KQBHAPZSSDWWRD-FPLPWBNLSA-N -1 3 321.760 3.115 20 10 DGCDHM CC(C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC000076901873 185052824 /nfs/dbraw/zinc/05/28/24/185052824.db2.gz YGYRDBYIXCRIDH-UHFFFAOYSA-N -1 3 304.321 3.464 20 10 DGCDHM CN(Cc1cccc(Cl)c1[O-])[C@H]1CCCc2c1cnn2C ZINC000180640963 529994100 /nfs/dbraw/zinc/99/41/00/529994100.db2.gz BRSMTQTYQLGGPA-AWEZNQCLSA-N -1 3 305.809 3.289 20 10 DGCDHM CC(C)CO[C@@H](C)c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000072517866 191186652 /nfs/dbraw/zinc/18/66/52/191186652.db2.gz RBXMYLYVELLWSN-ZDUSSCGKSA-N -1 3 319.405 3.141 20 10 DGCDHM Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000179485870 432060647 /nfs/dbraw/zinc/06/06/47/432060647.db2.gz BICAIUDSZFLONO-JTQLQIEISA-N -1 3 320.414 3.313 20 10 DGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@@H]1c1cccs1 ZINC000288477623 535350216 /nfs/dbraw/zinc/35/02/16/535350216.db2.gz CDRXUSWFOKHQKL-CQSZACIVSA-N -1 3 303.383 3.383 20 10 DGCDHM CCCNC(=O)CN[C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286795423 283371633 /nfs/dbraw/zinc/37/16/33/283371633.db2.gz AAYYNMZSVDRBKP-GFCCVEGCSA-N -1 3 319.232 3.266 20 10 DGCDHM CCCN(Cc1ccccc1O)C(=O)c1cc(OC)ccc1[O-] ZINC000170732088 432078720 /nfs/dbraw/zinc/07/87/20/432078720.db2.gz QNUPYZXDRODCIS-UHFFFAOYSA-N -1 3 315.369 3.159 20 10 DGCDHM C[C@H](NCc1nccn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278629042 299324606 /nfs/dbraw/zinc/32/46/06/299324606.db2.gz GRRKBXGQPRLKIN-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1N ZINC000006859024 181398302 /nfs/dbraw/zinc/39/83/02/181398302.db2.gz SPXZELRZSRBMAH-UHFFFAOYSA-N -1 3 320.414 3.207 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(Cc2ccncc2)C2CC2)c1[O-] ZINC000093221347 193218634 /nfs/dbraw/zinc/21/86/34/193218634.db2.gz LMMNVZXBSPNYEK-UHFFFAOYSA-N -1 3 314.360 3.294 20 10 DGCDHM C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1[O-] ZINC000246429592 432131068 /nfs/dbraw/zinc/13/10/68/432131068.db2.gz CNAHBKXCZZYZET-ZNMIVQPWSA-N -1 3 304.434 3.002 20 10 DGCDHM COCC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273409197 285172406 /nfs/dbraw/zinc/17/24/06/285172406.db2.gz HMLVJEMAQVGPDV-FZMZJTMJSA-N -1 3 320.345 3.322 20 10 DGCDHM Cc1ccc(C(=O)Nc2c[nH]nc2-c2ccccc2)c([O-])c1O ZINC000182848349 533605805 /nfs/dbraw/zinc/60/58/05/533605805.db2.gz GTWHWNPPAVYJFW-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c([O-])c1O ZINC000179439108 533611711 /nfs/dbraw/zinc/61/17/11/533611711.db2.gz LIJJHRKLNCQOHA-UHFFFAOYSA-N -1 3 323.352 3.059 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273510386 130130704 /nfs/dbraw/zinc/13/07/04/130130704.db2.gz RSAWIBKCVAMCMJ-LBPRGKRZSA-N -1 3 317.389 3.204 20 10 DGCDHM CC[C@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000274934487 130275611 /nfs/dbraw/zinc/27/56/11/130275611.db2.gz RPLAWHRNYFZNHK-GJZGRUSLSA-N -1 3 307.340 3.445 20 10 DGCDHM Cc1cc(CN[C@H](C)c2cc(Br)ccc2[O-])n(C)n1 ZINC000284447790 131082048 /nfs/dbraw/zinc/08/20/48/131082048.db2.gz SIAWQHPBKZTMCJ-SNVBAGLBSA-N -1 3 324.222 3.047 20 10 DGCDHM CC[C@@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356690 131232219 /nfs/dbraw/zinc/23/22/19/131232219.db2.gz ZMJLRWZNJAUHID-HZPDHXFCSA-N -1 3 307.340 3.445 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ccc[nH]2)c1[O-] ZINC000079400260 400862765 /nfs/dbraw/zinc/86/27/65/400862765.db2.gz XJHMJQAAMQPDTH-MRXNPFEDSA-N -1 3 302.349 3.399 20 10 DGCDHM COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1C ZINC000273364234 286221901 /nfs/dbraw/zinc/22/19/01/286221901.db2.gz AZZPDFLFYSWRLD-LBPRGKRZSA-N -1 3 316.357 3.468 20 10 DGCDHM Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)c([O-])c1O ZINC000177668453 228333558 /nfs/dbraw/zinc/33/35/58/228333558.db2.gz SZDIPXIYICFYBY-UHFFFAOYSA-N -1 3 311.381 3.426 20 10 DGCDHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccs2)c([O-])c1O ZINC000177665807 228333963 /nfs/dbraw/zinc/33/39/63/228333963.db2.gz HZSKOESZUPLFDM-LBPRGKRZSA-N -1 3 303.383 3.445 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@H](C)C[C@H]2c2cccnc2)c([O-])c1O ZINC000184783246 228386415 /nfs/dbraw/zinc/38/64/15/228386415.db2.gz FPRJCETZCQSQOH-ABAIWWIYSA-N -1 3 312.369 3.025 20 10 DGCDHM CCCCN(Cc1ccccc1[O-])[C@H](C)c1nnnn1C1CC1 ZINC000282356561 276233843 /nfs/dbraw/zinc/23/38/43/276233843.db2.gz CYCLRPZMVIXNGJ-CYBMUJFWSA-N -1 3 315.421 3.077 20 10 DGCDHM Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])c1 ZINC000109773563 431179465 /nfs/dbraw/zinc/17/94/65/431179465.db2.gz JYILSXDNHVHAHX-OAHLLOKOSA-N -1 3 312.413 3.468 20 10 DGCDHM Cc1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)oc1C ZINC000109761771 431180667 /nfs/dbraw/zinc/18/06/67/431180667.db2.gz BGZSZSIJJJSJEF-MRXNPFEDSA-N -1 3 316.401 3.178 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCOC2)C1 ZINC000093820373 431917433 /nfs/dbraw/zinc/91/74/33/431917433.db2.gz QVRLNLPNSGWLDN-AWEZNQCLSA-N -1 3 302.201 3.311 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccncc2)c1[O-] ZINC000091986313 431905686 /nfs/dbraw/zinc/90/56/86/431905686.db2.gz CGOOIBJKSMOGRB-LLVKDONJSA-N -1 3 302.349 3.322 20 10 DGCDHM COc1cc(OC)c(CN[C@H](C)c2ccccc2[O-])c(OC)c1 ZINC000183430032 432293642 /nfs/dbraw/zinc/29/36/42/432293642.db2.gz OHRUQOPOZUFYIG-GFCCVEGCSA-N -1 3 317.385 3.269 20 10 DGCDHM CC[C@@](C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1nc(C)cs1 ZINC000174499428 432352187 /nfs/dbraw/zinc/35/21/87/432352187.db2.gz ZXNDCUQSKDZDDJ-OAHLLOKOSA-N -1 3 321.402 3.480 20 10 DGCDHM C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000184982514 432452083 /nfs/dbraw/zinc/45/20/83/432452083.db2.gz BYBJDIFMPNMKNL-LDYMZIIASA-N -1 3 317.216 3.018 20 10 DGCDHM COc1cc(Cl)cc(CN(C)Cc2cnc(C)s2)c1[O-] ZINC000184682429 432421278 /nfs/dbraw/zinc/42/12/78/432421278.db2.gz UKBICYUQKVGPOP-UHFFFAOYSA-N -1 3 312.822 3.451 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](Oc2ccccn2)C1 ZINC000271804031 432423775 /nfs/dbraw/zinc/42/37/75/432423775.db2.gz LIKUYSRQXLZSFJ-ZDUSSCGKSA-N -1 3 304.777 3.094 20 10 DGCDHM CCS[C@@H]1CCCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000177685481 432649408 /nfs/dbraw/zinc/64/94/08/432649408.db2.gz HOTXOXVLYYYSML-GFCCVEGCSA-N -1 3 309.431 3.154 20 10 DGCDHM Cc1csc(CNCc2cc(Br)ccc2[O-])n1 ZINC000226036516 432702229 /nfs/dbraw/zinc/70/22/29/432702229.db2.gz PRCOMLLEKGWSFA-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM CC(C)c1nc([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2[O-])n[nH]1 ZINC000276851343 432826863 /nfs/dbraw/zinc/82/68/63/432826863.db2.gz BCRCNFGYIYTVNG-RKDXNWHRSA-N -1 3 310.348 3.324 20 10 DGCDHM CCn1cnnc1CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278323651 432891018 /nfs/dbraw/zinc/89/10/18/432891018.db2.gz VHRYZBUUGYUFGA-MRVPVSSYSA-N -1 3 315.204 3.161 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289957462 432981589 /nfs/dbraw/zinc/98/15/89/432981589.db2.gz YYYDQEVZSMEBOI-QWRGUYRKSA-N -1 3 323.742 3.038 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(F)(F)[C@@H](C)C2)c1[O-] ZINC000290012018 432982824 /nfs/dbraw/zinc/98/28/24/432982824.db2.gz ZVAKTKPNHDAKNL-VIFPVBQESA-N -1 3 301.308 3.211 20 10 DGCDHM Cn1nc([C@H]2CCCOC2)cc1NCc1c([O-])cccc1Cl ZINC000280120678 433003047 /nfs/dbraw/zinc/00/30/47/433003047.db2.gz PMOQVXGSMGSRJE-NSHDSACASA-N -1 3 321.808 3.285 20 10 DGCDHM CO[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000374681369 433258525 /nfs/dbraw/zinc/25/85/25/433258525.db2.gz VCFJCIAQQJXFRB-CQSZACIVSA-N -1 3 311.809 3.249 20 10 DGCDHM [O-]c1ccc(F)cc1CNc1cc(F)cc(N2CCOCC2)c1 ZINC000282795729 433632665 /nfs/dbraw/zinc/63/26/65/433632665.db2.gz MPHNWNCWBIKSEM-UHFFFAOYSA-N -1 3 320.339 3.119 20 10 DGCDHM CC(C)[C@@]1(CO)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000378137482 434095963 /nfs/dbraw/zinc/09/59/63/434095963.db2.gz YZLTZZKSTNUHBI-HNNXBMFYSA-N -1 3 301.789 3.025 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1c1ccco1 ZINC000187156128 304548961 /nfs/dbraw/zinc/54/89/61/304548961.db2.gz FDPSPRNHHUOJSM-ZDUSSCGKSA-N -1 3 301.342 3.448 20 10 DGCDHM CN(Cc1ccc([S@](C)=O)cc1)Cc1c([O-])cccc1Cl ZINC000131734770 523276169 /nfs/dbraw/zinc/27/61/69/523276169.db2.gz IHYKQVSPEOGALJ-OAQYLSRUSA-N -1 3 323.845 3.415 20 10 DGCDHM CN1Cc2ccccc2[C@@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000365170596 524029321 /nfs/dbraw/zinc/02/93/21/524029321.db2.gz LMXQYLQMTXSLNB-HNNXBMFYSA-N -1 3 320.795 3.461 20 10 DGCDHM C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C[C@@H]1n1ccnc1 ZINC000180720073 524293337 /nfs/dbraw/zinc/29/33/37/524293337.db2.gz PNIDRYUWTMGIGT-WFASDCNBSA-N -1 3 305.809 3.325 20 10 DGCDHM C[S@@](=O)C[C@@H](NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000182099787 525366807 /nfs/dbraw/zinc/36/68/07/525366807.db2.gz IJYKAEOPHJBUSM-QVKFZJNVSA-N -1 3 323.845 3.255 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)c([O-])c1O ZINC000182577279 526128858 /nfs/dbraw/zinc/12/88/58/526128858.db2.gz BLKTYJNOMLLVJT-ZFWWWQNUSA-N -1 3 311.381 3.424 20 10 DGCDHM Cc1cc(Br)cc(CN2CCCO[C@H](C)C2)c1[O-] ZINC000124587427 526158377 /nfs/dbraw/zinc/15/83/77/526158377.db2.gz FAZXQVLMORVKFC-LLVKDONJSA-N -1 3 314.223 3.074 20 10 DGCDHM CC[C@H](NC(=O)c1cc([O-])cs1)c1ccc2c(c1)OCCO2 ZINC000731870854 574560503 /nfs/dbraw/zinc/56/05/03/574560503.db2.gz ZXBDMWJUXRRRBC-LBPRGKRZSA-N -1 3 319.382 3.106 20 10 DGCDHM O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc([O-])cs1 ZINC000731871552 574560661 /nfs/dbraw/zinc/56/06/61/574560661.db2.gz IGCAJJYFJICZKV-AWEZNQCLSA-N -1 3 319.382 3.264 20 10 DGCDHM CN(Cc1nc2ccccc2s1)C(=O)c1cc([O-])cs1 ZINC000731864380 574560670 /nfs/dbraw/zinc/56/06/70/574560670.db2.gz SXDOUUJVCXAJJZ-UHFFFAOYSA-N -1 3 304.396 3.336 20 10 DGCDHM O=C(NCc1cccnc1OC1CCCC1)c1cc([O-])cs1 ZINC000731869597 574560691 /nfs/dbraw/zinc/56/06/91/574560691.db2.gz MNOWIQHTKCNEJA-UHFFFAOYSA-N -1 3 318.398 3.100 20 10 DGCDHM O=C(Nc1cccc(NC(=O)C2CC2)c1)c1cc([O-])cs1 ZINC000731868451 574561280 /nfs/dbraw/zinc/56/12/80/574561280.db2.gz ZRQAHMFECCYWQM-UHFFFAOYSA-N -1 3 302.355 3.055 20 10 DGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1nnc(-c2cccs2)o1 ZINC000731909635 574561828 /nfs/dbraw/zinc/56/18/28/574561828.db2.gz HBQQVUKTTTYIIU-SSDOTTSWSA-N -1 3 322.367 3.483 20 10 DGCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1nnc(-c2cccs2)o1 ZINC000731909636 574561880 /nfs/dbraw/zinc/56/18/80/574561880.db2.gz HBQQVUKTTTYIIU-ZETCQYMHSA-N -1 3 322.367 3.483 20 10 DGCDHM COc1ccccc1[C@H]1CCCN1C(=O)c1cc([O-])cs1 ZINC000732285155 574570976 /nfs/dbraw/zinc/57/09/76/574570976.db2.gz UFWOSMFAGUBSHQ-CYBMUJFWSA-N -1 3 303.383 3.440 20 10 DGCDHM CCOc1cc2c(cc1NC(=O)c1cc([O-])cs1)O[C@H](C)C2 ZINC000732266530 574569710 /nfs/dbraw/zinc/56/97/10/574569710.db2.gz FSNMFKFVMMZSOK-SECBINFHSA-N -1 3 319.382 3.428 20 10 DGCDHM CCCOc1ccc(CNC(=O)c2cc([O-])cs2)cc1OC ZINC000732271754 574569835 /nfs/dbraw/zinc/56/98/35/574569835.db2.gz RAEVFWUJUXVSSM-UHFFFAOYSA-N -1 3 321.398 3.181 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC[C@H]1Cc1ccc(F)cc1 ZINC000732275927 574569850 /nfs/dbraw/zinc/56/98/50/574569850.db2.gz RYHZETLPEHVLKD-ZDUSSCGKSA-N -1 3 305.374 3.440 20 10 DGCDHM CCN(CC)Cc1csc(NC(=O)c2cc([O-])cs2)n1 ZINC000732276077 574570000 /nfs/dbraw/zinc/57/00/00/574570000.db2.gz FUCUYEUDEGIECQ-UHFFFAOYSA-N -1 3 311.432 3.004 20 10 DGCDHM O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cc([O-])cs1 ZINC000732276933 574570166 /nfs/dbraw/zinc/57/01/66/574570166.db2.gz WYWGROKRXWWGLC-UKRRQHHQSA-N -1 3 321.373 3.243 20 10 DGCDHM [O-]c1ccc2ccccc2c1CN1CCO[C@H](C(F)(F)F)C1 ZINC000739876185 574914481 /nfs/dbraw/zinc/91/44/81/574914481.db2.gz YJOFDGFFFIQHAI-HNNXBMFYSA-N -1 3 311.303 3.309 20 10 DGCDHM Cc1nnc(-c2ccc(NC(=O)c3cc([O-])cs3)cc2)o1 ZINC000743476393 575053550 /nfs/dbraw/zinc/05/35/50/575053550.db2.gz AUAROADSKRYYBM-UHFFFAOYSA-N -1 3 301.327 3.064 20 10 DGCDHM Cc1nnc(-c2cccc(NC(=O)c3cc([O-])cs3)c2)o1 ZINC000743711473 575061911 /nfs/dbraw/zinc/06/19/11/575061911.db2.gz NXYGITSZUHPCPG-UHFFFAOYSA-N -1 3 301.327 3.064 20 10 DGCDHM CCCN(Cc1csc(COC)n1)Cc1ccccc1[O-] ZINC000743870206 575066709 /nfs/dbraw/zinc/06/67/09/575066709.db2.gz LCGXYQRKMRGDJW-UHFFFAOYSA-N -1 3 306.431 3.407 20 10 DGCDHM CCOc1ccc(CNC2(c3noc(C)n3)CCCC2)c([O-])c1 ZINC000725851321 575932353 /nfs/dbraw/zinc/93/23/53/575932353.db2.gz OEJMCNDAFQJKMK-UHFFFAOYSA-N -1 3 317.389 3.041 20 10 DGCDHM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1cc([O-])cs1 ZINC000746075092 575430821 /nfs/dbraw/zinc/43/08/21/575430821.db2.gz BKGRUAOLZLMADE-UHFFFAOYSA-N -1 3 313.718 3.372 20 10 DGCDHM CC(C)n1c(CNC(=O)c2cc([O-])cs2)nc2ccccc21 ZINC000748321362 575580617 /nfs/dbraw/zinc/58/06/17/575580617.db2.gz KVBQWSWVNLHSPH-UHFFFAOYSA-N -1 3 315.398 3.314 20 10 DGCDHM O=C(NC[C@@H]1SCCc2ccccc21)c1cc([O-])cs1 ZINC000749543153 575664376 /nfs/dbraw/zinc/66/43/76/575664376.db2.gz AUPYMPSFNFPKDW-AWEZNQCLSA-N -1 3 305.424 3.214 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@]3(CCCOC3)C2)c1[O-] ZINC000750837208 575754768 /nfs/dbraw/zinc/75/47/68/575754768.db2.gz IMZLEFNKDICVNY-GOSISDBHSA-N -1 3 321.392 3.127 20 10 DGCDHM Cc1ccccc1Cc1nc(CN(C)Cc2ccccc2[O-])no1 ZINC000751477557 575786541 /nfs/dbraw/zinc/78/65/41/575786541.db2.gz FTOZGMJMHWUMHG-UHFFFAOYSA-N -1 3 323.396 3.306 20 10 DGCDHM Cc1ccc(C(=O)NCCCn2ccc3ccccc32)c([O-])c1O ZINC000751532800 575789626 /nfs/dbraw/zinc/78/96/26/575789626.db2.gz GOVBJJBQBDNUBD-UHFFFAOYSA-N -1 3 324.380 3.181 20 10 DGCDHM Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C2CC2)c([O-])c1O ZINC000751538645 575789761 /nfs/dbraw/zinc/78/97/61/575789761.db2.gz UENVYDDVCJPILT-MRXNPFEDSA-N -1 3 311.381 3.157 20 10 DGCDHM CO[C@@H](C)c1nc(CNCc2cc(Cl)ccc2[O-])cs1 ZINC000752266469 575829869 /nfs/dbraw/zinc/82/98/69/575829869.db2.gz QTOBWPQFSXGUOZ-VIFPVBQESA-N -1 3 312.822 3.499 20 10 DGCDHM [O-]c1cccc(F)c1CNc1nccn2nc(C3CCC3)cc12 ZINC000895832459 618839129 /nfs/dbraw/zinc/83/91/29/618839129.db2.gz HAFXWKFJUHZYBP-UHFFFAOYSA-N -1 3 312.348 3.454 20 10 DGCDHM Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705511 619058967 /nfs/dbraw/zinc/05/89/67/619058967.db2.gz KQJOMGIFSSEKLB-WDEREUQCSA-N -1 3 305.374 3.321 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000928708725 619059538 /nfs/dbraw/zinc/05/95/38/619059538.db2.gz RQXOXUYFZCLQBN-IUCAKERBSA-N -1 3 305.271 3.126 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cnn(CC2CCC2)c1 ZINC000897432931 619118978 /nfs/dbraw/zinc/11/89/78/619118978.db2.gz SDDLQOPYSPJCPL-UHFFFAOYSA-N -1 3 323.799 3.471 20 10 DGCDHM C[C@H](NCc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1[O-] ZINC000927101685 619265890 /nfs/dbraw/zinc/26/58/90/619265890.db2.gz LSZVXFMLIMGVCM-VIFPVBQESA-N -1 3 307.344 3.132 20 10 DGCDHM CCNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000149158753 620099675 /nfs/dbraw/zinc/09/96/75/620099675.db2.gz NNTCVYDCPIIDPU-UHFFFAOYSA-N -1 3 304.777 3.407 20 10 DGCDHM C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC000914245995 620515030 /nfs/dbraw/zinc/51/50/30/620515030.db2.gz RKZIVNDCDYSTPZ-ZYHUDNBSSA-N -1 3 318.348 3.247 20 10 DGCDHM C[C@@H](Cc1ccsc1)NC(=O)NCc1c([O-])cccc1F ZINC000914313099 620519620 /nfs/dbraw/zinc/51/96/20/620519620.db2.gz PFRJQCVGJSHLMZ-JTQLQIEISA-N -1 3 308.378 3.023 20 10 DGCDHM CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000922124784 620991566 /nfs/dbraw/zinc/99/15/66/620991566.db2.gz GHZAQPYNPCIZPU-LLVKDONJSA-N -1 3 322.302 3.308 20 10 DGCDHM Cc1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc1C ZINC000839163654 621349328 /nfs/dbraw/zinc/34/93/28/621349328.db2.gz JFYUMKTZRHXBBG-UHFFFAOYSA-N -1 3 321.764 3.255 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCC[C@H]1c1ncc[nH]1 ZINC000862327073 621574300 /nfs/dbraw/zinc/57/43/00/621574300.db2.gz XRJSMQLPLSJEOA-LBPRGKRZSA-N -1 3 322.206 3.215 20 10 DGCDHM C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000756673282 621657864 /nfs/dbraw/zinc/65/78/64/621657864.db2.gz XVSUQYUHQNCMMQ-SNVBAGLBSA-N -1 3 317.301 3.059 20 10 DGCDHM C[C@@H](N[C@H](CO)c1cccc(F)c1)c1cc(F)cc(F)c1[O-] ZINC000756713035 621659943 /nfs/dbraw/zinc/65/99/43/621659943.db2.gz SNGYICKWAUVLAZ-RFAUZJTJSA-N -1 3 311.303 3.194 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1nnc([C@H]2CCCO2)s1 ZINC000865296164 621892544 /nfs/dbraw/zinc/89/25/44/621892544.db2.gz RINAIWWYDALWDH-LLVKDONJSA-N -1 3 311.794 3.361 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCN(Cc2ccsc2)CC1 ZINC000768208119 622445488 /nfs/dbraw/zinc/44/54/88/622445488.db2.gz NGMMFIFJZBHCOP-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)S1 ZINC000769140203 622501831 /nfs/dbraw/zinc/50/18/31/622501831.db2.gz DNVCAWIFGXNUTC-IUCAKERBSA-N -1 3 316.810 3.280 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CCN1CC(F)(F)F ZINC000770393490 622629336 /nfs/dbraw/zinc/62/93/36/622629336.db2.gz YQFPYVWXHVVYTD-SNVBAGLBSA-N -1 3 322.758 3.114 20 10 DGCDHM COc1c([O-])c(CN2CCc3cccc(C)c32)ccc1[N+](=O)[O-] ZINC000775057775 623222789 /nfs/dbraw/zinc/22/27/89/623222789.db2.gz RUOBURLCFGAUJJ-UHFFFAOYSA-N -1 3 314.341 3.180 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCN(Cc2cccs2)CC1 ZINC000775644527 623302642 /nfs/dbraw/zinc/30/26/42/623302642.db2.gz MYIQBVNMLYJUPH-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000775725086 623319306 /nfs/dbraw/zinc/31/93/06/623319306.db2.gz HHSIXEWKLLXVOB-CYBMUJFWSA-N -1 3 323.742 3.181 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1n1ccnc1 ZINC000775738246 623322296 /nfs/dbraw/zinc/32/22/96/623322296.db2.gz XFUNCAWPVZPHIU-NHYWBVRUSA-N -1 3 323.799 3.464 20 10 DGCDHM CCCCOc1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000776336510 623413428 /nfs/dbraw/zinc/41/34/28/623413428.db2.gz SBMCADWZFPRPAK-UHFFFAOYSA-N -1 3 315.369 3.207 20 10 DGCDHM CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)c1cccc(O)c1[O-] ZINC000776347262 623415115 /nfs/dbraw/zinc/41/51/15/623415115.db2.gz AGBFWNDORVVNDK-OAHLLOKOSA-N -1 3 317.360 3.234 20 10 DGCDHM O=C(NCC1(c2cccc(Cl)c2)CC1)c1cccc(O)c1[O-] ZINC000776659678 623449468 /nfs/dbraw/zinc/44/94/68/623449468.db2.gz CLBLHCGQVGYCPO-UHFFFAOYSA-N -1 3 317.772 3.213 20 10 DGCDHM O=C(NCCOc1ccc2ccccc2c1)c1cccc(O)c1[O-] ZINC000790486624 625660809 /nfs/dbraw/zinc/66/08/09/625660809.db2.gz XCMAKUOOCWXKPH-UHFFFAOYSA-N -1 3 323.348 3.060 20 10 DGCDHM O=C(Nc1ccnn1C1CCCCC1)c1cccc(O)c1[O-] ZINC000790512387 625663231 /nfs/dbraw/zinc/66/32/31/625663231.db2.gz JQXIQUWWEOCAQL-UHFFFAOYSA-N -1 3 301.346 3.052 20 10 DGCDHM CC(C)COc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000790552192 625669175 /nfs/dbraw/zinc/66/91/75/625669175.db2.gz WABRKODGGPJXMN-UHFFFAOYSA-N -1 3 301.342 3.385 20 10 DGCDHM COC(=O)[C@H](NCc1cc(Cl)ccc1[O-])c1ccccc1F ZINC000779179705 623739469 /nfs/dbraw/zinc/73/94/69/623739469.db2.gz XOEGSILZEPOKFU-OAHLLOKOSA-N -1 3 323.751 3.189 20 10 DGCDHM COc1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000877530347 623926981 /nfs/dbraw/zinc/92/69/81/623926981.db2.gz SQBJKNKNGQADCW-UHFFFAOYSA-N -1 3 319.213 3.454 20 10 DGCDHM O=C(Nc1ccnc(-c2ccccc2)c1)c1cccc(O)c1[O-] ZINC000790702393 625688319 /nfs/dbraw/zinc/68/83/19/625688319.db2.gz YEYBCQMHHSRJQT-UHFFFAOYSA-N -1 3 306.321 3.412 20 10 DGCDHM C[C@@H](O)[C@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611748 623962368 /nfs/dbraw/zinc/96/23/68/623962368.db2.gz ZAXYVPRNGBDDCP-PSLIRLAXSA-N -1 3 311.303 3.021 20 10 DGCDHM [O-]c1c(CN2CC[C@H](O)C[C@H]2c2ccccc2)ccc(F)c1F ZINC000877673741 623987195 /nfs/dbraw/zinc/98/71/95/623987195.db2.gz QXVFGPQPHOLZKE-HOCLYGCPSA-N -1 3 319.351 3.368 20 10 DGCDHM COC(=O)c1oc(CNCc2c([O-])cccc2Cl)cc1C ZINC000877693585 623994093 /nfs/dbraw/zinc/99/40/93/623994093.db2.gz LEORKOSZKNUUPG-UHFFFAOYSA-N -1 3 309.749 3.023 20 10 DGCDHM CC(C)(O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000877753645 624019484 /nfs/dbraw/zinc/01/94/84/624019484.db2.gz ISXJJMIZEKVFAN-UHFFFAOYSA-N -1 3 301.789 3.168 20 10 DGCDHM COc1ccccc1[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000877754855 624020906 /nfs/dbraw/zinc/02/09/06/624020906.db2.gz VHOVCSPGTIMTGD-SFHVURJKSA-N -1 3 317.360 3.113 20 10 DGCDHM COc1ccc(NCc2cc(C)cc(Br)c2[O-])nc1 ZINC000781560326 624093299 /nfs/dbraw/zinc/09/32/99/624093299.db2.gz ZJXUZYDPYCHPMR-UHFFFAOYSA-N -1 3 323.190 3.479 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccc(-n2ccnn2)cc1 ZINC000126831600 624120282 /nfs/dbraw/zinc/12/02/82/624120282.db2.gz DUHGJSMBGHWDLF-UHFFFAOYSA-N -1 3 300.749 3.238 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1c(F)cccc1Cl ZINC000790857816 625709370 /nfs/dbraw/zinc/70/93/70/625709370.db2.gz QTMPFQBFZFUTIY-QMMMGPOBSA-N -1 3 309.724 3.381 20 10 DGCDHM CCOc1cc(Cl)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790903965 625714127 /nfs/dbraw/zinc/71/41/27/625714127.db2.gz QKCUTTJFGWQSTO-UHFFFAOYSA-N -1 3 321.760 3.080 20 10 DGCDHM Cn1nc(CNCc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC000790986647 625731094 /nfs/dbraw/zinc/73/10/94/625731094.db2.gz RYMFCYLBFGSUPZ-UHFFFAOYSA-N -1 3 319.767 3.361 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNC1(c2ccc3c(c2)OCO3)CC1 ZINC000883051066 625910585 /nfs/dbraw/zinc/91/05/85/625910585.db2.gz MJQAWIDAICGBJI-UHFFFAOYSA-N -1 3 319.307 3.178 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](n2ccnc2)C1 ZINC000792166312 625918729 /nfs/dbraw/zinc/91/87/29/625918729.db2.gz VAJCYSUNEFEGTP-NSHDSACASA-N -1 3 309.772 3.218 20 10 DGCDHM Cc1ccc(C(=O)N2CCc3cc(Cl)ccc32)c([O-])c1O ZINC000804345896 626671740 /nfs/dbraw/zinc/67/17/40/626671740.db2.gz FPVPDLOMINMGBI-UHFFFAOYSA-N -1 3 303.745 3.263 20 10 DGCDHM CCOC(=O)c1cc(NCc2c([O-])cccc2Cl)cn1C ZINC000809754831 626947545 /nfs/dbraw/zinc/94/75/45/626947545.db2.gz BNTJLULPOHYDCX-UHFFFAOYSA-N -1 3 308.765 3.173 20 10 DGCDHM C[C@@H](O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000136827208 627103622 /nfs/dbraw/zinc/10/36/22/627103622.db2.gz XHGLWRRKEDDJNA-NXEZZACHSA-N -1 3 304.217 3.292 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1c([O-])cccc1F ZINC000886522644 627156761 /nfs/dbraw/zinc/15/67/61/627156761.db2.gz NVEOEPXKXWNCGB-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM C[C@H](O)[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631619 627177202 /nfs/dbraw/zinc/17/72/02/627177202.db2.gz RHQGGIYCUAVXMW-PSVSLLHZSA-N -1 3 307.340 3.443 20 10 DGCDHM C[C@@H](NCc1c(C(F)(F)F)cnn1C)c1c([O-])cccc1F ZINC000886641244 627178486 /nfs/dbraw/zinc/17/84/86/627178486.db2.gz DMCLSEIDKWFIFX-MRVPVSSYSA-N -1 3 317.286 3.134 20 10 DGCDHM CC(C)(C)OC(=O)N1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000811503164 627282615 /nfs/dbraw/zinc/28/26/15/627282615.db2.gz XTLNFVFVRGWMJZ-UHFFFAOYSA-N -1 3 312.797 3.403 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCOC[C@@H](C2CCC2)C1 ZINC000814178413 627547234 /nfs/dbraw/zinc/54/72/34/627547234.db2.gz PCWIOJBGPPAYEK-ZDUSSCGKSA-N -1 3 313.800 3.433 20 10 DGCDHM C[C@@H](c1ccc(F)cc1[O-])N1CCOc2ccc(N)cc2C1 ZINC000925753226 627788040 /nfs/dbraw/zinc/78/80/40/627788040.db2.gz FDSXCCRAHABFIS-NSHDSACASA-N -1 3 302.349 3.069 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCc2ccccc2[C@H]1CO ZINC000816513643 627799213 /nfs/dbraw/zinc/79/92/13/627799213.db2.gz XHPQMDZGSGBFAI-MRXNPFEDSA-N -1 3 321.779 3.276 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1cn2ccccc2n1 ZINC000816530069 627803098 /nfs/dbraw/zinc/80/30/98/627803098.db2.gz RRDDXCAXILTYKT-UHFFFAOYSA-N -1 3 305.740 3.122 20 10 DGCDHM CC(C)n1cc(C(C)(C)NCc2cc(Cl)ccc2[O-])nn1 ZINC000817420181 627897735 /nfs/dbraw/zinc/89/77/35/627897735.db2.gz PCUATRHPRBLITO-UHFFFAOYSA-N -1 3 308.813 3.243 20 10 DGCDHM C[C@@H](N[C@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927063231 628005474 /nfs/dbraw/zinc/00/54/74/628005474.db2.gz ABXLOVQLQHPAQQ-ABAIWWIYSA-N -1 3 313.357 3.424 20 10 DGCDHM C[C@@H](NCc1cc(C2CC2)nn1C)c1cc(F)cc(F)c1[O-] ZINC000927101684 628014933 /nfs/dbraw/zinc/01/49/33/628014933.db2.gz LSZVXFMLIMGVCM-SECBINFHSA-N -1 3 307.344 3.132 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(Cc2ccccc2F)CC1 ZINC000928707162 628179457 /nfs/dbraw/zinc/17/94/57/628179457.db2.gz BJHRUYYTEFKCRP-UHFFFAOYSA-N -1 3 317.335 3.310 20 10 DGCDHM CCOCCC1(C(=O)NCc2c([O-])cccc2F)CCCC1 ZINC000928705320 628179596 /nfs/dbraw/zinc/17/95/96/628179596.db2.gz JJPMHLRHTFILFA-UHFFFAOYSA-N -1 3 309.381 3.135 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1Cl ZINC000826023914 628820871 /nfs/dbraw/zinc/82/08/71/628820871.db2.gz KZFNRBWYERPTQD-DLBZAZTESA-N -1 3 307.821 3.497 20 10 DGCDHM COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733811 629644500 /nfs/dbraw/zinc/64/45/00/629644500.db2.gz RIDQRZUBHPJOPE-NXEZZACHSA-N -1 3 305.330 3.104 20 10 DGCDHM COC(=O)c1ccc(CNCc2c([O-])cc(C)cc2Cl)o1 ZINC000840899404 630374528 /nfs/dbraw/zinc/37/45/28/630374528.db2.gz WHCVZFJCAYXWHU-UHFFFAOYSA-N -1 3 309.749 3.023 20 10 DGCDHM Cc1cc([O-])c(CN2CC[S@@](=O)C(C)(C)CC2)c(Cl)c1 ZINC000840950313 630383251 /nfs/dbraw/zinc/38/32/51/630383251.db2.gz IUJSIFKVRCTCPC-HXUWFJFHSA-N -1 3 315.866 3.087 20 10 DGCDHM C[C@@H]1[C@@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978969 630390516 /nfs/dbraw/zinc/39/05/16/630390516.db2.gz QRIZFIGPTGFYMB-NXEZZACHSA-N -1 3 304.217 3.292 20 10 DGCDHM O=C([O-])[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000840997652 630393025 /nfs/dbraw/zinc/39/30/25/630393025.db2.gz XEFMKQCQSNSGQP-MRXNPFEDSA-N -1 3 311.381 3.356 20 10 DGCDHM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000840997652 630393028 /nfs/dbraw/zinc/39/30/28/630393028.db2.gz XEFMKQCQSNSGQP-MRXNPFEDSA-N -1 3 311.381 3.356 20 10 DGCDHM C[C@H](Nc1ccc(N(C)CCO)cn1)c1ccc(Cl)cc1[O-] ZINC000841749376 630461892 /nfs/dbraw/zinc/46/18/92/630461892.db2.gz DLRKBVAZNQGZTJ-NSHDSACASA-N -1 3 321.808 3.042 20 10 DGCDHM CC[C@@H](Nc1ccc2c(c1)nnn2C)c1ccc(F)cc1[O-] ZINC000842900252 630592332 /nfs/dbraw/zinc/59/23/32/630592332.db2.gz GQZHQMRAYGOUCG-CYBMUJFWSA-N -1 3 300.337 3.376 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(C2(O)CC2)CC1 ZINC000846008757 631205604 /nfs/dbraw/zinc/20/56/04/631205604.db2.gz PKGPMCOMXGSEFU-UHFFFAOYSA-N -1 3 316.228 3.436 20 10 DGCDHM CC(C)(C)OC(=O)N1CCCCN1Cc1cc(F)ccc1[O-] ZINC000846070842 631209250 /nfs/dbraw/zinc/20/92/50/631209250.db2.gz YSCIMJHMBHFPNO-UHFFFAOYSA-N -1 3 310.369 3.279 20 10 DGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000846115833 631210543 /nfs/dbraw/zinc/21/05/43/631210543.db2.gz BWRXTZJUCWTAQN-GFCCVEGCSA-N -1 3 318.707 3.185 20 10 DGCDHM Cn1c(Cl)ncc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000848911980 631784539 /nfs/dbraw/zinc/78/45/39/631784539.db2.gz LQNKXULMGSDGLM-UHFFFAOYSA-N -1 3 320.607 3.376 20 10 DGCDHM [O-]c1ccc(F)cc1CN[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000848928195 631791988 /nfs/dbraw/zinc/79/19/88/631791988.db2.gz WWZZJEVBOBYFAM-YPMHNXCESA-N -1 3 307.287 3.121 20 10 DGCDHM COc1cccc(OC)c1CNCc1c([O-])cccc1Cl ZINC000850355360 632123923 /nfs/dbraw/zinc/12/39/23/632123923.db2.gz GUNXYZDFBAEFCB-UHFFFAOYSA-N -1 3 307.777 3.353 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)ccc1O ZINC000182477042 660056681 /nfs/dbraw/zinc/05/66/81/660056681.db2.gz KMCPFMUPOANURS-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM CSc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000182477474 660056873 /nfs/dbraw/zinc/05/68/73/660056873.db2.gz RJUUVZYRDMROKY-UHFFFAOYSA-N -1 3 309.412 3.223 20 10 DGCDHM C[C@H]1N(Cc2ccc(Br)cc2[O-])CCOC1(C)C ZINC000708321355 660920271 /nfs/dbraw/zinc/92/02/71/660920271.db2.gz SAEJMIFMEKXSCH-SNVBAGLBSA-N -1 3 314.223 3.154 20 10 DGCDHM CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000794326122 661078886 /nfs/dbraw/zinc/07/88/86/661078886.db2.gz FYTUPRWDIYSACZ-AAEUAGOBSA-N -1 3 307.390 3.236 20 10 DGCDHM Cc1noc([C@H]2CCCN2Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840946043 656581032 /nfs/dbraw/zinc/58/10/32/656581032.db2.gz GTNWKDGGWVTMHA-CYBMUJFWSA-N -1 3 307.781 3.383 20 10 DGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])c(OC)cc1Cl ZINC000317922183 656693616 /nfs/dbraw/zinc/69/36/16/656693616.db2.gz WTACLMLHRUHXKC-UHFFFAOYSA-N -1 3 323.732 3.021 20 10 DGCDHM CC(=O)OC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093453951 658653856 /nfs/dbraw/zinc/65/38/56/658653856.db2.gz RKBKZRUVDIDOKK-UHFFFAOYSA-N -1 3 318.200 3.227 20 10 DGCDHM O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(O)c1[O-] ZINC000322915685 659725497 /nfs/dbraw/zinc/72/54/97/659725497.db2.gz GUXWGAQYZIHMCN-UHFFFAOYSA-N -1 3 312.369 3.340 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)c([O-])c1O ZINC000182415961 660052354 /nfs/dbraw/zinc/05/23/54/660052354.db2.gz PYRHKCWMBSELNZ-UHFFFAOYSA-N -1 3 312.369 3.041 20 10 DGCDHM CC(C)c1scnc1NC(=O)NCc1c([O-])cccc1F ZINC000931454397 661478109 /nfs/dbraw/zinc/47/81/09/661478109.db2.gz KRJKFZYQOMDSSZ-UHFFFAOYSA-N -1 3 309.366 3.433 20 10 DGCDHM CCc1nccc(C)c1NC(=O)NCc1c([O-])cccc1F ZINC000934487739 661710601 /nfs/dbraw/zinc/71/06/01/661710601.db2.gz RZZJHUNUPGTWDL-UHFFFAOYSA-N -1 3 303.337 3.119 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccco1)Cc1ccco1 ZINC000188149001 661918337 /nfs/dbraw/zinc/91/83/37/661918337.db2.gz DRHNPTPFKFBEAM-UHFFFAOYSA-N -1 3 313.309 3.126 20 10 DGCDHM O=C(Nc1ccc2oc(C3CC3)nc2c1)c1cccc(O)c1[O-] ZINC000189061972 661961186 /nfs/dbraw/zinc/96/11/86/661961186.db2.gz JDSZJXUBNWIQKQ-UHFFFAOYSA-N -1 3 310.309 3.369 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)ccc1OC(C)C ZINC000194107727 662157454 /nfs/dbraw/zinc/15/74/54/662157454.db2.gz GFOYKQXYGMYOHQ-UHFFFAOYSA-N -1 3 321.398 3.289 20 10 DGCDHM Cc1cc(Sc2ncc(Cl)s2)ccc1-c1nnn[n-]1 ZINC001581044823 1192050868 /nfs/dbraw/zinc/05/08/68/1192050868.db2.gz RAFRBSOFXYGBLP-UHFFFAOYSA-N -1 3 309.807 3.436 20 10 DGCDHM Cc1cc(Sc2ncc(Cl)s2)ccc1-c1nn[n-]n1 ZINC001581044823 1192050871 /nfs/dbraw/zinc/05/08/71/1192050871.db2.gz RAFRBSOFXYGBLP-UHFFFAOYSA-N -1 3 309.807 3.436 20 10 DGCDHM Cc1cc(NCc2ccc(N(C)C)cc2C)cc(-c2nnn[n-]2)c1 ZINC001592052074 1192589257 /nfs/dbraw/zinc/58/92/57/1192589257.db2.gz AQXKDZAOTLKJKV-UHFFFAOYSA-N -1 3 322.416 3.162 20 10 DGCDHM Cc1cc(NCc2ccc(N(C)C)cc2C)cc(-c2nn[n-]n2)c1 ZINC001592052074 1192589262 /nfs/dbraw/zinc/58/92/62/1192589262.db2.gz AQXKDZAOTLKJKV-UHFFFAOYSA-N -1 3 322.416 3.162 20 10 DGCDHM CC(C)c1ccc(C(=O)NCc2c(O)cccc2F)c([O-])c1 ZINC001596913046 1192710015 /nfs/dbraw/zinc/71/00/15/1192710015.db2.gz UGXOYTVFPXRMHS-UHFFFAOYSA-N -1 3 303.333 3.290 20 10 DGCDHM CC[C@H](C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001596912710 1192710393 /nfs/dbraw/zinc/71/03/93/1192710393.db2.gz QVOLGQYBUMRJFB-ZDUSSCGKSA-N -1 3 305.324 3.480 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(-c2cccs2)on1 ZINC001596912536 1192710499 /nfs/dbraw/zinc/71/04/99/1192710499.db2.gz OICZBDVJMDUXIW-UHFFFAOYSA-N -1 3 318.329 3.178 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(Br)c1 ZINC001596906340 1192710538 /nfs/dbraw/zinc/71/05/38/1192710538.db2.gz DMRYIFOUVZJZHA-UHFFFAOYSA-N -1 3 324.149 3.224 20 10 DGCDHM Cc1cccc(OCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001600546269 1192872069 /nfs/dbraw/zinc/87/20/69/1192872069.db2.gz DHFBXZLTEOLGQI-CYBMUJFWSA-N -1 3 315.369 3.128 20 10 DGCDHM CCOC(=O)C[C@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC001343973477 1179359443 /nfs/dbraw/zinc/35/94/43/1179359443.db2.gz VVGMSMQBTKKLPD-LLVKDONJSA-N -1 3 315.772 3.102 20 10 DGCDHM C[C@@H](NCc1cc(F)ccc1F)c1cc(C(=O)[O-])ccc1O ZINC001604341910 1193066496 /nfs/dbraw/zinc/06/64/96/1193066496.db2.gz MOPYKWAZBZZIDZ-SECBINFHSA-N -1 3 307.296 3.219 20 10 DGCDHM C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338634 1193067050 /nfs/dbraw/zinc/06/70/50/1193067050.db2.gz PRIXQXGXSVQMKK-LNHVQRHZSA-N -1 3 315.772 3.446 20 10 DGCDHM O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1cccc(O)c1[O-] ZINC001441932573 1182072208 /nfs/dbraw/zinc/07/22/08/1182072208.db2.gz PAWNOQRDEVRSGH-UHFFFAOYSA-N -1 3 315.373 3.196 20 10 DGCDHM CCN(Cc1cc(C(=O)[O-])oc1C)Cc1ccc(N(C)C)cc1 ZINC001605457000 1193152772 /nfs/dbraw/zinc/15/27/72/1193152772.db2.gz SRXPTPRHCBHGQF-UHFFFAOYSA-N -1 3 316.401 3.374 20 10 DGCDHM Cn1cc(C(=O)NCc2c([O-])cccc2F)c2cc(F)ccc21 ZINC001456031454 1182394367 /nfs/dbraw/zinc/39/43/67/1182394367.db2.gz XKWJDFCJZUATAR-UHFFFAOYSA-N -1 3 316.307 3.092 20 10 DGCDHM O=C(Cc1cccc(Cl)c1F)NCc1c([O-])cccc1F ZINC001456030075 1182394819 /nfs/dbraw/zinc/39/48/19/1182394819.db2.gz QAJIDLZLANUTLW-UHFFFAOYSA-N -1 3 311.715 3.183 20 10 DGCDHM C[C@@H](Oc1ccccc1Cl)C(=O)NCc1c([O-])cccc1F ZINC001456101586 1182398046 /nfs/dbraw/zinc/39/80/46/1182398046.db2.gz SRNLGILEDVZMLP-SNVBAGLBSA-N -1 3 323.751 3.268 20 10 DGCDHM O=C(Nc1c(F)cccc1NC1CC1)c1cccc(O)c1[O-] ZINC001465621247 1183159966 /nfs/dbraw/zinc/15/99/66/1183159966.db2.gz ABDSPUBTXARRLC-UHFFFAOYSA-N -1 3 302.305 3.064 20 10 DGCDHM CS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])C1 ZINC001607391349 1193226980 /nfs/dbraw/zinc/22/69/80/1193226980.db2.gz JZJDYAGZVOEHSL-CYZMBNFOSA-N -1 3 309.431 3.415 20 10 DGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001471976254 1183604397 /nfs/dbraw/zinc/60/43/97/1183604397.db2.gz USWBHGVVZGNHFO-SECBINFHSA-N -1 3 309.287 3.229 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC001471975802 1183604472 /nfs/dbraw/zinc/60/44/72/1183604472.db2.gz HXHJRZAJCAXQPF-ZYHUDNBSSA-N -1 3 321.298 3.229 20 10 DGCDHM CSc1cc(NCc2c([O-])cccc2F)nc(SC)n1 ZINC001472883143 1183695371 /nfs/dbraw/zinc/69/53/71/1183695371.db2.gz HJMMZYUFWUADOD-UHFFFAOYSA-N -1 3 311.407 3.377 20 10 DGCDHM COC1CCC(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001610234698 1193379281 /nfs/dbraw/zinc/37/92/81/1193379281.db2.gz QJYZUJMVYSNHBO-DNOWBOINSA-N -1 3 321.417 3.336 20 10 DGCDHM Cc1cc(CC(=O)[N-]OC(C)(C)C)c(C)n1-c1ccccc1 ZINC001611059140 1193421308 /nfs/dbraw/zinc/42/13/08/1193421308.db2.gz LBFADNFORPEZIL-UHFFFAOYSA-N -1 3 300.402 3.483 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](C)Cc1ccsc1 ZINC001617186785 1193561023 /nfs/dbraw/zinc/56/10/23/1193561023.db2.gz OQYHDGIMHUNWDR-LLVKDONJSA-N -1 3 305.399 3.253 20 10 DGCDHM Cc1noc(-c2ccccc2)c1NC(=O)c1cccc(O)c1[O-] ZINC001556103116 1188984573 /nfs/dbraw/zinc/98/45/73/1188984573.db2.gz HQHWYEGODIZPTE-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM Cn1nc(CNCc2ccc(Cl)cc2[O-])cc1C(F)(F)F ZINC001561042204 1189425021 /nfs/dbraw/zinc/42/50/21/1189425021.db2.gz SKBIVXNWNFLJLD-UHFFFAOYSA-N -1 3 319.714 3.088 20 10 DGCDHM CC(C)Nc1cccc(F)c1NC(=O)c1cccc(O)c1[O-] ZINC001570860901 1190967501 /nfs/dbraw/zinc/96/75/01/1190967501.db2.gz DODKFEKBGODVBX-UHFFFAOYSA-N -1 3 304.321 3.310 20 10 DGCDHM O=C(Cc1ccc(-n2cccc2)cc1)NCc1c([O-])cccc1F ZINC001635360387 1194546684 /nfs/dbraw/zinc/54/66/84/1194546684.db2.gz LFDGIRRQAPTWJF-UHFFFAOYSA-N -1 3 324.355 3.181 20 10 DGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1cc(F)ccc1OC ZINC001638715519 1194733860 /nfs/dbraw/zinc/73/38/60/1194733860.db2.gz BODKHTYWWUIRSK-ZDUSSCGKSA-N -1 3 319.332 3.127 20 10 DGCDHM CC(C)c1cccc(OCC(=O)NCc2c([O-])cccc2F)c1 ZINC001638863381 1194741564 /nfs/dbraw/zinc/74/15/64/1194741564.db2.gz MXPXCUCTWMSIKO-UHFFFAOYSA-N -1 3 317.360 3.350 20 10 DGCDHM CC(=O)c1ccc(NCc2c([O-])cccc2F)c([N+](=O)[O-])c1 ZINC001640434773 1194813154 /nfs/dbraw/zinc/81/31/54/1194813154.db2.gz KVWLRHPFYIZRJP-UHFFFAOYSA-N -1 3 304.277 3.254 20 10 DGCDHM COC(=O)CN(CCCC1CC1)Cc1cc(Cl)ccc1[O-] ZINC001642071897 1194886426 /nfs/dbraw/zinc/88/64/26/1194886426.db2.gz KUOHKYUOSCTSDO-UHFFFAOYSA-N -1 3 311.809 3.211 20 10 DGCDHM O=C(Nc1ccc2c(c1)C(=O)CCCC2)c1cccc(O)c1[O-] ZINC001643005019 1194960829 /nfs/dbraw/zinc/96/08/29/1194960829.db2.gz GXDONMMSNHZNIS-UHFFFAOYSA-N -1 3 311.337 3.259 20 10 DGCDHM CC[C@@](C)(NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001643369066 1195018840 /nfs/dbraw/zinc/01/88/40/1195018840.db2.gz ALFIXVHYUKWODO-QGZVFWFLSA-N -1 3 303.333 3.292 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cnc2ccc(F)cc2c1 ZINC001645048324 1195152149 /nfs/dbraw/zinc/15/21/49/1195152149.db2.gz QDNZKACIUTXMBA-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM O=C(Cc1ccc(Cl)c(F)c1)NCc1c([O-])cccc1F ZINC001646033743 1195211172 /nfs/dbraw/zinc/21/11/72/1195211172.db2.gz CXQMTIQXGMNYFH-UHFFFAOYSA-N -1 3 311.715 3.183 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1SCCc2ccccc21 ZINC001646035552 1195211923 /nfs/dbraw/zinc/21/19/23/1195211923.db2.gz YOXWRNXSVMBFKK-INIZCTEOSA-N -1 3 317.385 3.178 20 10 DGCDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1-c1ccc(C)cc1 ZINC001648322004 1195292250 /nfs/dbraw/zinc/29/22/50/1195292250.db2.gz ZKONKPILXBUHAR-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM Cc1cc(NCc2cc(F)c(F)cc2[O-])ccc1C(=O)N(C)C ZINC001652197187 1195560825 /nfs/dbraw/zinc/56/08/25/1195560825.db2.gz QOMNAENRHFBUBJ-UHFFFAOYSA-N -1 3 320.339 3.293 20 10 DGCDHM COC(=O)CN(CCCC(C)C)Cc1cc(Cl)ccc1[O-] ZINC001652734897 1195643332 /nfs/dbraw/zinc/64/33/32/1195643332.db2.gz JFCNMRPORZBGOL-UHFFFAOYSA-N -1 3 313.825 3.457 20 10 DGCDHM CCOC(=O)[C@H](CCCC(C)C)NCc1cc(F)ccc1[O-] ZINC001653090768 1195687635 /nfs/dbraw/zinc/68/76/35/1195687635.db2.gz BZVRXJBPQHXCAT-HNNXBMFYSA-N -1 3 311.397 3.379 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCN(c2cccs2)CC1 ZINC001657323383 1196130763 /nfs/dbraw/zinc/13/07/63/1196130763.db2.gz FJZHOCGXCSXSFY-UHFFFAOYSA-N -1 3 310.369 3.054 20 10 DGCDHM CN1CCN(Cc2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC001657460580 1196144645 /nfs/dbraw/zinc/14/46/45/1196144645.db2.gz ORDYFRIYIXRLQB-UHFFFAOYSA-N -1 3 304.340 3.122 20 10 DGCDHM Cc1ccc2c(c1)nc(CNCc1cc(F)cc(F)c1[O-])n2C ZINC001658941808 1196322269 /nfs/dbraw/zinc/32/22/69/1196322269.db2.gz IHZPTGIGNRJMDO-UHFFFAOYSA-N -1 3 317.339 3.155 20 10 DGCDHM COC(=O)c1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])cc1 ZINC001658956124 1196324987 /nfs/dbraw/zinc/32/49/87/1196324987.db2.gz RBRJJDOTXVMPKC-UHFFFAOYSA-N -1 3 321.323 3.089 20 10 DGCDHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[O-] ZINC001659756721 1196411576 /nfs/dbraw/zinc/41/15/76/1196411576.db2.gz ZIIIYNULHKZYFI-PRHODGIISA-N -1 3 309.715 3.197 20 10 DGCDHM C[C@H]1CCCN(Cc2cccc(F)c2[O-])[C@H]1C(=O)OC(C)(C)C ZINC001660080419 1196443342 /nfs/dbraw/zinc/44/33/42/1196443342.db2.gz GCQCTUKCFXFJKT-SWLSCSKDSA-N -1 3 323.408 3.474 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN[C@H](CO)c1cccc(F)c1 ZINC001661421276 1196604440 /nfs/dbraw/zinc/60/44/40/1196604440.db2.gz YKGJPLKPEJTBRQ-CQSZACIVSA-N -1 3 313.731 3.147 20 10 DGCDHM COC(=O)CN(Cc1cc(C)co1)Cc1cc(Cl)ccc1[O-] ZINC001663945632 1196959617 /nfs/dbraw/zinc/95/96/17/1196959617.db2.gz IRBRTLXBSHRYEZ-UHFFFAOYSA-N -1 3 323.776 3.122 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1ccc(OC2COC2)cc1 ZINC001664325450 1196989998 /nfs/dbraw/zinc/98/99/98/1196989998.db2.gz VZNYUQIUHWIHRN-UHFFFAOYSA-N -1 3 307.296 3.060 20 10 DGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC001670304601 1197530802 /nfs/dbraw/zinc/53/08/02/1197530802.db2.gz VTNJFTFOVDAVLV-UHFFFAOYSA-N -1 3 319.292 3.070 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cc(F)c(F)c(F)c1 ZINC001674849575 1197891226 /nfs/dbraw/zinc/89/12/26/1197891226.db2.gz ZCBAZKSPPKJZOO-UHFFFAOYSA-N -1 3 314.238 3.270 20 10 DGCDHM O=C([O-])[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC001594900418 954624150 /nfs/dbraw/zinc/62/41/50/954624150.db2.gz OBDKHNXVUHCFJQ-OAGGEKHMSA-N -1 3 309.365 3.282 20 10 DGCDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1C ZINC001574214623 962938385 /nfs/dbraw/zinc/93/83/85/962938385.db2.gz ZXNRMZBVMYAPHH-MRXNPFEDSA-N -1 3 303.333 3.058 20 10 DGCDHM CCCCC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001595683216 982170318 /nfs/dbraw/zinc/17/03/18/982170318.db2.gz NBYJZKCZXYBUTN-GFCCVEGCSA-N -1 3 315.797 3.177 20 10 DGCDHM CCCC[N@H+](Cc1ccc(C(=O)[O-])cn1)Cc1ccccc1[O-] ZINC001595749094 982419982 /nfs/dbraw/zinc/41/99/82/982419982.db2.gz GIFXTHPMYROQBJ-UHFFFAOYSA-N -1 3 314.385 3.288 20 10 DGCDHM CCCC[N@@H+](Cc1ccc(C(=O)[O-])cn1)Cc1ccccc1[O-] ZINC001595749094 982419984 /nfs/dbraw/zinc/41/99/84/982419984.db2.gz GIFXTHPMYROQBJ-UHFFFAOYSA-N -1 3 314.385 3.288 20 10 DGCDHM CCC[N@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595888234 982916985 /nfs/dbraw/zinc/91/69/85/982916985.db2.gz KWUYUPJUVPPZNT-KTKRTIGZSA-N -1 3 315.369 3.495 20 10 DGCDHM CCC[N@@H+](Cc1ccc(/C=C\C(=O)[O-])o1)Cc1ccccc1[O-] ZINC001595888234 982916990 /nfs/dbraw/zinc/91/69/90/982916990.db2.gz KWUYUPJUVPPZNT-KTKRTIGZSA-N -1 3 315.369 3.495 20 10 DGCDHM C[C@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266448 994579826 /nfs/dbraw/zinc/57/98/26/994579826.db2.gz DPLGSKOCQOGONO-MJBXVCDLSA-N -1 3 320.433 3.004 20 10 DGCDHM C[C@H]([NH2+]CCc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273185 994617466 /nfs/dbraw/zinc/61/74/66/994617466.db2.gz CWHMGOYETOTKED-NSHDSACASA-N -1 3 303.333 3.123 20 10 DGCDHM COc1cc(C)c(C[NH2+]C[C@@H](C(=O)[O-])C2CCCCC2)c([O-])c1 ZINC001599391230 997040057 /nfs/dbraw/zinc/04/00/57/997040057.db2.gz MKZXTNAAFLRHBZ-MRXNPFEDSA-N -1 3 321.417 3.080 20 10 DGCDHM CC1=CCN(Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CC1 ZINC001594114751 998240814 /nfs/dbraw/zinc/24/08/14/998240814.db2.gz GXNSWQZRQYJANJ-UHFFFAOYSA-N -1 3 302.349 3.168 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H](F)C2)cc1Br ZINC001233138461 1098235783 /nfs/dbraw/zinc/23/57/83/1098235783.db2.gz ABCYTNFZMVTXEE-SNVBAGLBSA-N -1 3 318.186 3.097 20 10 DGCDHM CSc1ccc([O-])c(C(=O)NCc2cc(C)ccc2O)c1 ZINC001167293570 1081913275 /nfs/dbraw/zinc/91/32/75/1081913275.db2.gz JPADQTVWWLVBTM-UHFFFAOYSA-N -1 3 303.383 3.058 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H](c2ccccn2)C1 ZINC001140466061 1082278932 /nfs/dbraw/zinc/27/89/32/1082278932.db2.gz VRNFRBYSHYVJPR-INIZCTEOSA-N -1 3 304.777 3.014 20 10 DGCDHM Cn1c(=O)[nH]c2ccc(NCc3ccc(Cl)cc3[O-])cc21 ZINC001181145324 1083417894 /nfs/dbraw/zinc/41/78/94/1083417894.db2.gz PHSMEGSSWYTDNO-UHFFFAOYSA-N -1 3 303.749 3.250 20 10 DGCDHM CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1cccc(F)c1[O-] ZINC001183179532 1083889123 /nfs/dbraw/zinc/88/91/23/1083889123.db2.gz FYVYIXIJHXSCBX-QGZVFWFLSA-N -1 3 309.381 3.228 20 10 DGCDHM COC[C@H](NCc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC001184277678 1084149397 /nfs/dbraw/zinc/14/93/97/1084149397.db2.gz LRGJGVFSBRPVIZ-AWEZNQCLSA-N -1 3 311.303 3.287 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1[C@@H](CO)CCC[C@@H]1C(F)(F)F ZINC001203651665 1084737516 /nfs/dbraw/zinc/73/75/16/1084737516.db2.gz SBDBOSBDVKUGOU-DGCLKSJQSA-N -1 3 323.742 3.323 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001142509136 1087274745 /nfs/dbraw/zinc/27/47/45/1087274745.db2.gz YFOHZRAJQSTABH-RKDXNWHRSA-N -1 3 313.241 3.250 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@](C)(C(F)F)O1 ZINC000698928424 1087708486 /nfs/dbraw/zinc/70/84/86/1087708486.db2.gz JSAQKNFERPBGRE-YMTOWFKASA-N -1 3 305.752 3.290 20 10 DGCDHM COc1ccc(Cl)cc1C(=O)NCc1c([O-])cccc1F ZINC001156164104 1089413794 /nfs/dbraw/zinc/41/37/94/1089413794.db2.gz MUVSEUQGVAJLNG-UHFFFAOYSA-N -1 3 309.724 3.123 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(C2CCCCC2)n[nH]1 ZINC001156170302 1089415871 /nfs/dbraw/zinc/41/58/71/1089415871.db2.gz KSIGGFLTUSWZEG-UHFFFAOYSA-N -1 3 317.364 3.232 20 10 DGCDHM Cc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])cn1 ZINC001157724012 1090088940 /nfs/dbraw/zinc/08/89/40/1090088940.db2.gz JHFSUTIFXUPLKD-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC(OCc2ccccc2)C1 ZINC001203657697 1090774383 /nfs/dbraw/zinc/77/43/83/1090774383.db2.gz MMEBZGZJAZQIIP-UHFFFAOYSA-N -1 3 303.789 3.447 20 10 DGCDHM Cc1ccc2c(n1)N(C)CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203655706 1090774887 /nfs/dbraw/zinc/77/48/87/1090774887.db2.gz BCCFBGJOEDBJNA-UHFFFAOYSA-N -1 3 317.820 3.201 20 10 DGCDHM CCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)c([O-])c1 ZINC001292206211 1091137073 /nfs/dbraw/zinc/13/70/73/1091137073.db2.gz CEQBBPLJMJHYGQ-UHFFFAOYSA-N -1 3 324.424 3.267 20 10 DGCDHM CN(CC(=O)OCc1ccccc1)Cc1c([O-])cccc1Cl ZINC001140342649 1091834805 /nfs/dbraw/zinc/83/48/05/1091834805.db2.gz SJHGQZIHRLTGTO-UHFFFAOYSA-N -1 3 319.788 3.221 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@H](c2ccncc2)C1 ZINC001140341683 1091835769 /nfs/dbraw/zinc/83/57/69/1091835769.db2.gz BYXHNZLJLZIZQQ-INIZCTEOSA-N -1 3 304.777 3.014 20 10 DGCDHM COc1cc2c(cn1)CCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140468363 1091878311 /nfs/dbraw/zinc/87/83/11/1091878311.db2.gz IHYUYKSTZIUQQG-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CC(OCc2ccccc2)C1 ZINC001140466375 1091878853 /nfs/dbraw/zinc/87/88/53/1091878853.db2.gz DZZYDBPTYFNUOM-UHFFFAOYSA-N -1 3 303.789 3.447 20 10 DGCDHM CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001140466979 1091879519 /nfs/dbraw/zinc/87/95/19/1091879519.db2.gz OLIFFMWDRWJYFG-ZDUSSCGKSA-N -1 3 311.809 3.352 20 10 DGCDHM CCN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(N(C)C)cc1 ZINC001140948876 1092075248 /nfs/dbraw/zinc/07/52/48/1092075248.db2.gz FWAWJMYODUVDRP-UHFFFAOYSA-N -1 3 302.374 3.066 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142521096 1092494281 /nfs/dbraw/zinc/49/42/81/1092494281.db2.gz XMTTUAFCZNMTRL-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM Cn1ccc2cc(-c3noc(-c4cccc(O)c4[O-])n3)ccc21 ZINC001215143530 1093926404 /nfs/dbraw/zinc/92/64/04/1093926404.db2.gz ADQXLNWHXXZRCT-UHFFFAOYSA-N -1 3 307.309 3.307 20 10 DGCDHM CCN1CCc2ccc(-c3noc(-c4cccc(O)c4[O-])n3)cc21 ZINC001215145973 1093927131 /nfs/dbraw/zinc/92/71/31/1093927131.db2.gz VDVQHHIAASPMDX-UHFFFAOYSA-N -1 3 323.352 3.197 20 10 DGCDHM Cc1cc(F)c(F)c(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327426 1093961345 /nfs/dbraw/zinc/96/13/45/1093961345.db2.gz AMPAIMBNDZBNNA-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(Cl)c3F)no2)cc1O ZINC001215327798 1093961500 /nfs/dbraw/zinc/96/15/00/1093961500.db2.gz UEBMRWWYXJJYOC-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM O=C(Nc1cc(F)c(Cl)nc1Cl)c1cccc(O)c1[O-] ZINC001148212529 1096327859 /nfs/dbraw/zinc/32/78/59/1096327859.db2.gz BTUMFLOQCNYERI-UHFFFAOYSA-N -1 3 317.103 3.191 20 10 DGCDHM Cc1ccc2[nH]cc(CN(C)C(=O)c3cccc(O)c3[O-])c2c1 ZINC001148218422 1096328408 /nfs/dbraw/zinc/32/84/08/1096328408.db2.gz CFFIFMLUXAOIAX-UHFFFAOYSA-N -1 3 310.353 3.160 20 10 DGCDHM O=C(N[C@@H](c1ccccc1F)C1CC1)c1cccc(O)c1[O-] ZINC001148224275 1096329367 /nfs/dbraw/zinc/32/93/67/1096329367.db2.gz GKMCNLHSNGWIIO-OAHLLOKOSA-N -1 3 301.317 3.118 20 10 DGCDHM O=C(Nc1ccc(F)c2ccccc12)c1cc(O)c([O-])c(O)c1 ZINC001148586391 1096407299 /nfs/dbraw/zinc/40/72/99/1096407299.db2.gz NAYKNJGFVNJDOD-UHFFFAOYSA-N -1 3 313.284 3.348 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCc2ccccc21 ZINC001227679013 1096968271 /nfs/dbraw/zinc/96/82/71/1096968271.db2.gz LOSQMUWYRDYOFH-ZDUSSCGKSA-N -1 3 314.360 3.061 20 10 DGCDHM Cc1ccc([C@H](C)CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001228281997 1097088044 /nfs/dbraw/zinc/08/80/44/1097088044.db2.gz RIBAPZGWRFEFKT-CYBMUJFWSA-N -1 3 316.376 3.443 20 10 DGCDHM C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452882 1097751549 /nfs/dbraw/zinc/75/15/49/1097751549.db2.gz WCPWCNFBIYTEOX-UHFFFAOYSA-N -1 3 305.761 3.376 20 10 DGCDHM C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231452882 1097751556 /nfs/dbraw/zinc/75/15/56/1097751556.db2.gz WCPWCNFBIYTEOX-UHFFFAOYSA-N -1 3 305.761 3.376 20 10 DGCDHM O=C([O-])c1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c([O-])c1 ZINC001231450527 1097752209 /nfs/dbraw/zinc/75/22/09/1097752209.db2.gz SQKHUHYLDNTCJN-UHFFFAOYSA-N -1 3 311.328 3.102 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)c([O-])c1 ZINC001231456036 1097752789 /nfs/dbraw/zinc/75/27/89/1097752789.db2.gz ZWYFHJKIXLJBRO-UHFFFAOYSA-N -1 3 309.365 3.380 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)c([O-])c1 ZINC001231456036 1097752793 /nfs/dbraw/zinc/75/27/93/1097752793.db2.gz ZWYFHJKIXLJBRO-UHFFFAOYSA-N -1 3 309.365 3.380 20 10 DGCDHM CC1(C)CCC2(CC[NH+](Cc3ccc(C(=O)[O-])cc3[O-])CC2)O1 ZINC001231453875 1097753916 /nfs/dbraw/zinc/75/39/16/1097753916.db2.gz LRHVCARBAMVHSO-UHFFFAOYSA-N -1 3 319.401 3.014 20 10 DGCDHM [O-]c1c(CN2CC(F)(F)CC[C@H]2CO)ccc2ccccc12 ZINC001231879975 1097876893 /nfs/dbraw/zinc/87/68/93/1097876893.db2.gz YVQGXBNNXFPRSR-AWEZNQCLSA-N -1 3 307.340 3.137 20 10 DGCDHM COc1cc([O-])c(CN2CC(C)(C)OC(C)(C)C2)cc1Cl ZINC001232269154 1097988090 /nfs/dbraw/zinc/98/80/90/1097988090.db2.gz RZTFVWCJRULJLL-UHFFFAOYSA-N -1 3 313.825 3.444 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H]2c2nc(C)no2)cc1Cl ZINC001232269144 1097988474 /nfs/dbraw/zinc/98/84/74/1097988474.db2.gz RTTWVRLPAAQBQP-LBPRGKRZSA-N -1 3 323.780 3.083 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001233332436 1098291807 /nfs/dbraw/zinc/29/18/07/1098291807.db2.gz LEYYDLZDKZKHJZ-GFCCVEGCSA-N -1 3 313.241 3.394 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(Oc2cccnc2)CC1 ZINC001233334817 1098292281 /nfs/dbraw/zinc/29/22/81/1098292281.db2.gz UYXRCTPMBUFHON-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1c(CN2CC[C@@H]3CCCO[C@@H]3C2)cccc1C(F)(F)F ZINC001233416688 1098322405 /nfs/dbraw/zinc/32/24/05/1098322405.db2.gz RMTGKKCSBNKSGE-SMDDNHRTSA-N -1 3 315.335 3.412 20 10 DGCDHM CC(=O)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418839 1098325759 /nfs/dbraw/zinc/32/57/59/1098325759.db2.gz YDKVXJIBTSKICA-NSHDSACASA-N -1 3 301.308 3.212 20 10 DGCDHM C[C@]1(CF)CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001235056973 1098778120 /nfs/dbraw/zinc/77/81/20/1098778120.db2.gz KTNGYRMZIODYRY-CYBMUJFWSA-N -1 3 320.177 3.475 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1coc(C2CCCCC2)n1 ZINC001178412609 1098827466 /nfs/dbraw/zinc/82/74/66/1098827466.db2.gz BLTYRBVHKLJQLZ-UHFFFAOYSA-N -1 3 318.348 3.497 20 10 DGCDHM CSc1cccc(F)c1C(=O)NCc1c([O-])cccc1F ZINC001178413691 1098828432 /nfs/dbraw/zinc/82/84/32/1098828432.db2.gz WJVXDWNLCRDFKW-UHFFFAOYSA-N -1 3 309.337 3.322 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CSc2ccccc21 ZINC001178412886 1098828911 /nfs/dbraw/zinc/82/89/11/1098828911.db2.gz JHYHBZLYGNHMIO-LBPRGKRZSA-N -1 3 303.358 3.037 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@](F)(CO)CC1 ZINC001236793400 1099788096 /nfs/dbraw/zinc/78/80/96/1099788096.db2.gz KLOLJZJAVKXIGG-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(C2CCC2)CC1 ZINC001237078616 1099958233 /nfs/dbraw/zinc/95/82/33/1099958233.db2.gz VKAVOWGASAMVES-UHFFFAOYSA-N -1 3 315.244 3.369 20 10 DGCDHM CC[C@H]1CO[C@@H](C)CN1Cc1ccc(Br)cc1[O-] ZINC000691680196 1100026521 /nfs/dbraw/zinc/02/65/21/1100026521.db2.gz UDOBWZRUXYYTMU-GWCFXTLKSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@H]1CO[C@H](C)CN1Cc1ccc(Br)cc1[O-] ZINC000691680199 1100027738 /nfs/dbraw/zinc/02/77/38/1100027738.db2.gz UDOBWZRUXYYTMU-MFKMUULPSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1ccc(Br)cc1[O-] ZINC000691680202 1100029852 /nfs/dbraw/zinc/02/98/52/1100029852.db2.gz UDOBWZRUXYYTMU-ZWNOBZJWSA-N -1 3 314.223 3.154 20 10 DGCDHM CCCCN1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237619974 1100189806 /nfs/dbraw/zinc/18/98/06/1100189806.db2.gz HBASTAZGYXWFRS-UHFFFAOYSA-N -1 3 300.805 3.102 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H](F)C[C@H]2C)cc1Br ZINC001237676090 1100210035 /nfs/dbraw/zinc/21/00/35/1100210035.db2.gz DZZAKYUCROIUHS-KOLCDFICSA-N -1 3 302.187 3.395 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCc2cc(CO)ccc2C1 ZINC001237934632 1100297443 /nfs/dbraw/zinc/29/74/43/1100297443.db2.gz LTTJHJOKGSPCRZ-UHFFFAOYSA-N -1 3 321.779 3.235 20 10 DGCDHM CC(=O)c1ccc(NC(=O)c2ccc([O-])c(O)c2Cl)c(F)c1 ZINC001193229310 1100722183 /nfs/dbraw/zinc/72/21/83/1100722183.db2.gz HYMNWLACJZXKSB-UHFFFAOYSA-N -1 3 323.707 3.345 20 10 DGCDHM Cc1cccc(C)c1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001194642992 1100980333 /nfs/dbraw/zinc/98/03/33/1100980333.db2.gz GSDVGVRTPSWCIZ-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])C1=CC=CC1 ZINC001199695300 1102198758 /nfs/dbraw/zinc/19/87/58/1102198758.db2.gz JUBRSCBFJYHXJL-UHFFFAOYSA-N -1 3 300.745 3.096 20 10 DGCDHM CC(C)(C)NC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001200915943 1102435570 /nfs/dbraw/zinc/43/55/70/1102435570.db2.gz RAKHFYNTRXGWNI-UHFFFAOYSA-N -1 3 323.849 3.356 20 10 DGCDHM COc1ccc(CN(C)C(=O)c2cccc(O)c2[O-])cc1Cl ZINC001299458093 1104682448 /nfs/dbraw/zinc/68/24/48/1104682448.db2.gz UURXXCNMUOXRRX-UHFFFAOYSA-N -1 3 321.760 3.032 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CC[C@@](F)(CO)C2)cc1Cl ZINC001248881221 1105185604 /nfs/dbraw/zinc/18/56/04/1105185604.db2.gz UCKRIMCYAKMMSB-INIZCTEOSA-N -1 3 315.816 3.249 20 10 DGCDHM CN1CCCN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])CC1=O ZINC001248883202 1105185684 /nfs/dbraw/zinc/18/56/84/1105185684.db2.gz AIWKFXWFEAMPTN-UHFFFAOYSA-N -1 3 324.852 3.007 20 10 DGCDHM CCc1cccc(C)c1NC(=S)NCc1ncccc1[O-] ZINC001249574234 1105319490 /nfs/dbraw/zinc/31/94/90/1105319490.db2.gz LGPPOQBURXBXNG-UHFFFAOYSA-N -1 3 301.415 3.145 20 10 DGCDHM Cc1cc(CN2CCn3cccc3C2)c([O-])cc1Br ZINC001250128214 1105448537 /nfs/dbraw/zinc/44/85/37/1105448537.db2.gz ASGTWYKKKCBLNN-UHFFFAOYSA-N -1 3 321.218 3.280 20 10 DGCDHM [O-]c1c(O)cccc1-c1nnc(Cc2cccc(Cl)c2)o1 ZINC001254414909 1106067444 /nfs/dbraw/zinc/06/74/44/1106067444.db2.gz BSZOBQPVVJITIR-UHFFFAOYSA-N -1 3 302.717 3.392 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001254512672 1106089190 /nfs/dbraw/zinc/08/91/90/1106089190.db2.gz KNYMFMOXTCWMDY-RYUDHWBXSA-N -1 3 310.309 3.125 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(CCC2CCCCC2)o1 ZINC001256788476 1106483316 /nfs/dbraw/zinc/48/33/16/1106483316.db2.gz PTBSJIPFICACST-UHFFFAOYSA-N -1 3 304.346 3.366 20 10 DGCDHM Cc1c(O)ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC001259861222 1107213279 /nfs/dbraw/zinc/21/32/79/1107213279.db2.gz WEQSEHATWMTFAS-UHFFFAOYSA-N -1 3 317.410 3.299 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c(Cl)cncc1Cl ZINC001303875757 1107269274 /nfs/dbraw/zinc/26/92/74/1107269274.db2.gz NXZMPCJWIXEWQY-UHFFFAOYSA-N -1 3 315.131 3.163 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)cc1O ZINC001260758813 1107315370 /nfs/dbraw/zinc/31/53/70/1107315370.db2.gz ACWLGSGHDRLXLC-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM Cc1cc(C(F)(F)F)c(NCc2c([O-])cccc2F)nn1 ZINC001307214739 1111279817 /nfs/dbraw/zinc/27/98/17/1111279817.db2.gz RGFRFIYSMFPOLV-UHFFFAOYSA-N -1 3 301.243 3.261 20 10 DGCDHM CCN1C(=O)CCc2cc(NCc3cccc(F)c3[O-])ccc21 ZINC001308678478 1111459620 /nfs/dbraw/zinc/45/96/20/1111459620.db2.gz VZJQWFSMFZRGTQ-UHFFFAOYSA-N -1 3 314.360 3.443 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)NC(C)C ZINC000080665379 192180252 /nfs/dbraw/zinc/18/02/52/192180252.db2.gz ZRSVMBYGDYUCLZ-UHFFFAOYSA-N -1 3 315.211 3.095 20 10 DGCDHM CCCCNC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179699418 432068223 /nfs/dbraw/zinc/06/82/23/432068223.db2.gz PJMKCDSFEZSDTA-UHFFFAOYSA-N -1 3 324.852 3.174 20 10 DGCDHM C[C@H](N[C@@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469112 299396070 /nfs/dbraw/zinc/39/60/70/299396070.db2.gz FGJVEUUEOGMTHC-ZUZCIYMTSA-N -1 3 314.341 3.344 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2cccnc2)c1[O-] ZINC000093226825 193218804 /nfs/dbraw/zinc/21/88/04/193218804.db2.gz NTNJAHXWOSIJNF-NSHDSACASA-N -1 3 302.349 3.322 20 10 DGCDHM C[C@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482717 193258179 /nfs/dbraw/zinc/25/81/79/193258179.db2.gz SLONEWKVEHVKPV-JOYOIKCWSA-N -1 3 304.217 3.434 20 10 DGCDHM C[C@@H](N[C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1ncnn1C ZINC000278387446 296158325 /nfs/dbraw/zinc/15/83/25/296158325.db2.gz DKYPTLCKWUYJIG-HTQZYQBOSA-N -1 3 315.204 3.239 20 10 DGCDHM [O-]c1ccccc1CN1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000190131382 432125098 /nfs/dbraw/zinc/12/50/98/432125098.db2.gz HEEBQIBGLIZDIF-QGZVFWFLSA-N -1 3 305.324 3.244 20 10 DGCDHM CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189410800 284302598 /nfs/dbraw/zinc/30/25/98/284302598.db2.gz LCSPVNVMRFMKGY-RKDXNWHRSA-N -1 3 319.232 3.216 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1O ZINC000272773378 130062920 /nfs/dbraw/zinc/06/29/20/130062920.db2.gz SWGVDGKZKWRRSO-ZDUSSCGKSA-N -1 3 315.344 3.175 20 10 DGCDHM COCc1cccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273299368 130105527 /nfs/dbraw/zinc/10/55/27/130105527.db2.gz AYJQQIGAMLNOAE-LBPRGKRZSA-N -1 3 316.357 3.298 20 10 DGCDHM Cc1cc(Br)cc(CN(C)Cc2ccccn2)c1[O-] ZINC000273411262 130118507 /nfs/dbraw/zinc/11/85/07/130118507.db2.gz OLKAQNHXBYIQJV-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM COCc1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273540922 130133840 /nfs/dbraw/zinc/13/38/40/130133840.db2.gz YHLYNGOXCIYOPI-LBPRGKRZSA-N -1 3 315.369 3.498 20 10 DGCDHM CO[C@@H](C)c1nc(CN[C@@H]2CCc3cccc([O-])c32)cs1 ZINC000297946433 132041400 /nfs/dbraw/zinc/04/14/00/132041400.db2.gz YJSFVOGHRQBIBQ-GXFFZTMASA-N -1 3 304.415 3.333 20 10 DGCDHM CCCN(Cc1nc(CC(C)C)no1)Cc1ccccc1[O-] ZINC000299569361 132111491 /nfs/dbraw/zinc/11/14/91/132111491.db2.gz BGOWJENENDIAGJ-UHFFFAOYSA-N -1 3 303.406 3.386 20 10 DGCDHM COc1cc(F)cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273459252 286226216 /nfs/dbraw/zinc/22/62/16/286226216.db2.gz HSXGBFGYDUWUKM-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@H](c3ccccc3)C[C@H]2C)c([O-])c1O ZINC000182453010 432189745 /nfs/dbraw/zinc/18/97/45/432189745.db2.gz ZPJFBVKAUSVANG-UKRRQHHQSA-N -1 3 311.381 3.424 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCCN(c2nccs2)CC1 ZINC000179849736 228353621 /nfs/dbraw/zinc/35/36/21/228353621.db2.gz XMPYUTNUVNJVNL-UHFFFAOYSA-N -1 3 323.849 3.214 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000373853318 229558996 /nfs/dbraw/zinc/55/89/96/229558996.db2.gz XQQMJXJUJYBXMA-CQSZACIVSA-N -1 3 319.307 3.353 20 10 DGCDHM C[C@](O)(CNCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000270478139 432250175 /nfs/dbraw/zinc/25/01/75/432250175.db2.gz IXLABJLYTCXTNO-JTQLQIEISA-N -1 3 318.122 3.102 20 10 DGCDHM CN(Cc1nc(-c2ccsc2)no1)Cc1ccccc1[O-] ZINC000109771673 431178990 /nfs/dbraw/zinc/17/89/90/431178990.db2.gz PPFZCBWTGQUNDF-UHFFFAOYSA-N -1 3 301.371 3.136 20 10 DGCDHM CN(Cc1cscn1)Cc1cc(Br)ccc1[O-] ZINC000120195899 431725349 /nfs/dbraw/zinc/72/53/49/431725349.db2.gz PZUCJQNETZWXGW-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N(C)Cc1ccccc1[O-] ZINC000121143242 431747014 /nfs/dbraw/zinc/74/70/14/431747014.db2.gz CNAHBKXCZZYZET-RBSFLKMASA-N -1 3 304.434 3.002 20 10 DGCDHM C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1n1ccnc1 ZINC000248892528 432327752 /nfs/dbraw/zinc/32/77/52/432327752.db2.gz SJPKRNAHUGEQES-SMDDNHRTSA-N -1 3 323.799 3.464 20 10 DGCDHM CCCCN(CC(F)(F)F)C(=O)c1ccc(C)c(O)c1[O-] ZINC000271273527 432367024 /nfs/dbraw/zinc/36/70/24/432367024.db2.gz MKBSLYBPQPKPIQ-UHFFFAOYSA-N -1 3 305.296 3.211 20 10 DGCDHM C[C@@H](NCc1cccc(N(C)C)n1)c1cc(Cl)ccc1[O-] ZINC000186179160 432567120 /nfs/dbraw/zinc/56/71/20/432567120.db2.gz WPQVMJFNOWYXJT-LLVKDONJSA-N -1 3 305.809 3.357 20 10 DGCDHM COCC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273409203 432595627 /nfs/dbraw/zinc/59/56/27/432595627.db2.gz HMLVJEMAQVGPDV-SMDDNHRTSA-N -1 3 320.345 3.322 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1CCc1ccccc1 ZINC000186988351 432641923 /nfs/dbraw/zinc/64/19/23/432641923.db2.gz IEKKZKUGAVBNOJ-HNNXBMFYSA-N -1 3 311.381 3.335 20 10 DGCDHM C[C@H](N[C@H](CO)c1ccc(F)cc1)c1ccc(F)c(F)c1[O-] ZINC000276901120 432827081 /nfs/dbraw/zinc/82/70/81/432827081.db2.gz JBMBRIBERQDIAX-LKFCYVNXSA-N -1 3 311.303 3.194 20 10 DGCDHM CC(C)=CCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277152166 432830556 /nfs/dbraw/zinc/83/05/56/432830556.db2.gz BFUCMXBIBNQEMW-UHFFFAOYSA-N -1 3 322.792 3.166 20 10 DGCDHM CC(=O)Nc1ccc(CN[C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000279014669 432926132 /nfs/dbraw/zinc/92/61/32/432926132.db2.gz HEIMOIDGRLVAEN-JTQLQIEISA-N -1 3 319.792 3.250 20 10 DGCDHM COc1ccc(CN[C@H](C)c2cc(Cl)ccc2[O-])c(OC)n1 ZINC000290075961 432988622 /nfs/dbraw/zinc/98/86/22/432988622.db2.gz GJLYAXYXIADHFD-SNVBAGLBSA-N -1 3 322.792 3.309 20 10 DGCDHM CC[C@@H](NCc1nnc2n1CCCCC2)c1ccc(C)cc1[O-] ZINC000279921126 432998090 /nfs/dbraw/zinc/99/80/90/432998090.db2.gz AEBAJKICNVKYFP-OAHLLOKOSA-N -1 3 314.433 3.259 20 10 DGCDHM CCOCc1nc([C@@H](C)N[C@H](CC)c2ccccc2[O-])no1 ZINC000290140796 433000681 /nfs/dbraw/zinc/00/06/81/433000681.db2.gz KQIUWMQZFADWPY-DGCLKSJQSA-N -1 3 305.378 3.114 20 10 DGCDHM CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccc(C)cc2[O-])no1 ZINC000290183162 433009442 /nfs/dbraw/zinc/00/94/42/433009442.db2.gz NSGXJGGFGNQJBD-OCCSQVGLSA-N -1 3 319.405 3.422 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000373853317 433165508 /nfs/dbraw/zinc/16/55/08/433165508.db2.gz XQQMJXJUJYBXMA-AWEZNQCLSA-N -1 3 319.307 3.353 20 10 DGCDHM CCCCN(Cc1nc([C@@H](C)OC)no1)Cc1ccccc1[O-] ZINC000282545946 433615976 /nfs/dbraw/zinc/61/59/76/433615976.db2.gz WMMVTYZQFZEGGM-CYBMUJFWSA-N -1 3 319.405 3.285 20 10 DGCDHM C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000282658906 433623377 /nfs/dbraw/zinc/62/33/77/433623377.db2.gz IILIVWABXZNPCI-SNVBAGLBSA-N -1 3 308.813 3.243 20 10 DGCDHM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cccc(Cl)c1[O-] ZINC000378444362 434183819 /nfs/dbraw/zinc/18/38/19/434183819.db2.gz PTBDVKOYPWOYJW-HNNXBMFYSA-N -1 3 305.809 3.425 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000369462729 434596206 /nfs/dbraw/zinc/59/62/06/434596206.db2.gz MAXNBPVTYRUQSL-CQSZACIVSA-N -1 3 304.777 3.094 20 10 DGCDHM C[C@@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372913 434612491 /nfs/dbraw/zinc/61/24/91/434612491.db2.gz GDHOZIJDSWMHQU-SJKOYZFVSA-N -1 3 300.377 3.369 20 10 DGCDHM COCCC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000529637985 435038278 /nfs/dbraw/zinc/03/82/78/435038278.db2.gz KUGFWMDUXXBNEO-UHFFFAOYSA-N -1 3 301.789 3.433 20 10 DGCDHM COc1cc(Cl)cc(CN2CCO[C@H](c3ccco3)C2)c1[O-] ZINC000184701254 533953096 /nfs/dbraw/zinc/95/30/96/533953096.db2.gz VQAXAQSHMNTXOX-HNNXBMFYSA-N -1 3 323.776 3.221 20 10 DGCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c([O-])c1O ZINC000179499384 534259929 /nfs/dbraw/zinc/25/99/29/534259929.db2.gz NXHIVYIYFUMONM-OAHLLOKOSA-N -1 3 311.381 3.036 20 10 DGCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1c1ccccc1 ZINC000185737825 534429786 /nfs/dbraw/zinc/42/97/86/534429786.db2.gz LWIFLQVGEYJTTD-UKRRQHHQSA-N -1 3 311.381 3.364 20 10 DGCDHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000266452660 520413079 /nfs/dbraw/zinc/41/30/79/520413079.db2.gz OQIRXHKDGBOVEW-UHFFFAOYSA-N -1 3 321.398 3.290 20 10 DGCDHM CCc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000189428512 521784958 /nfs/dbraw/zinc/78/49/58/521784958.db2.gz BVPBSSNJTXFKHH-UHFFFAOYSA-N -1 3 305.399 3.318 20 10 DGCDHM COCC1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000156034708 522935213 /nfs/dbraw/zinc/93/52/13/522935213.db2.gz VBJFKDGPGHRRQB-UHFFFAOYSA-N -1 3 314.223 3.013 20 10 DGCDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cccc(Cl)c1[O-] ZINC000180503428 523277753 /nfs/dbraw/zinc/27/77/53/523277753.db2.gz DNMSKUYSJSQCEE-OAQYLSRUSA-N -1 3 323.845 3.415 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000189425355 523830593 /nfs/dbraw/zinc/83/05/93/523830593.db2.gz AMRKIPDKSCLNBW-UHFFFAOYSA-N -1 3 305.399 3.372 20 10 DGCDHM C[C@H](N[C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650591 525550990 /nfs/dbraw/zinc/55/09/90/525550990.db2.gz APWVOUJQMONQJU-QPUJVOFHSA-N -1 3 317.216 3.018 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)C[C@H]2C)c([O-])c1O ZINC000182453030 526139017 /nfs/dbraw/zinc/13/90/17/526139017.db2.gz ZPJFBVKAUSVANG-HIFRSBDPSA-N -1 3 311.381 3.424 20 10 DGCDHM CCOC[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177366595 529029093 /nfs/dbraw/zinc/02/90/93/529029093.db2.gz AURBIDNSBAUCID-LBPRGKRZSA-N -1 3 311.809 3.107 20 10 DGCDHM CC[C@@H](NC(=O)c1cc([O-])cs1)c1ccc2c(c1)OCCO2 ZINC000731870853 574560678 /nfs/dbraw/zinc/56/06/78/574560678.db2.gz ZXBDMWJUXRRRBC-GFCCVEGCSA-N -1 3 319.382 3.106 20 10 DGCDHM COc1ccc([C@H](NC(=O)c2cc([O-])cs2)C2CC2)cc1 ZINC000731868715 574561318 /nfs/dbraw/zinc/56/13/18/574561318.db2.gz QSYXLHCTOGLFES-OAHLLOKOSA-N -1 3 303.383 3.343 20 10 DGCDHM CCN(CC)[C@@H](CNC(=O)c1cc([O-])cs1)c1ccsc1 ZINC000731869247 574561472 /nfs/dbraw/zinc/56/14/72/574561472.db2.gz DMRBIJGFRBPTIZ-ZDUSSCGKSA-N -1 3 324.471 3.328 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc([O-])cs1 ZINC000731868251 574561501 /nfs/dbraw/zinc/56/15/01/574561501.db2.gz UIYSKDWDMOVABS-INIZCTEOSA-N -1 3 310.378 3.368 20 10 DGCDHM CCCn1c(C)cc(C(=O)COC(=O)c2cc([O-])cs2)c1C ZINC000731911517 574561938 /nfs/dbraw/zinc/56/19/38/574561938.db2.gz KOYROAKKNFWMKQ-UHFFFAOYSA-N -1 3 321.398 3.322 20 10 DGCDHM O=C(OCc1cc(-c2ccccc2)on1)c1cc([O-])cs1 ZINC000731909662 574561952 /nfs/dbraw/zinc/56/19/52/574561952.db2.gz IAAOWCWLJVWHGV-UHFFFAOYSA-N -1 3 301.323 3.466 20 10 DGCDHM O=C(COC(=O)c1cc([O-])cs1)c1ccc2c(c1)CCCC2 ZINC000731912959 574562037 /nfs/dbraw/zinc/56/20/37/574562037.db2.gz ZXZUUXKLWQZFNY-UHFFFAOYSA-N -1 3 316.378 3.372 20 10 DGCDHM O=C(c1cc([O-])cs1)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC000732286438 574570886 /nfs/dbraw/zinc/57/08/86/574570886.db2.gz XHQSIKCFNOGDRM-UHFFFAOYSA-N -1 3 313.382 3.019 20 10 DGCDHM COc1ccc([C@H]2CCCN2C(=O)c2cc([O-])cs2)cc1 ZINC000732264084 574569258 /nfs/dbraw/zinc/56/92/58/574569258.db2.gz NWFAFCGOGQPQCH-CQSZACIVSA-N -1 3 303.383 3.440 20 10 DGCDHM COc1ccc([C@@H]2CCCN2C(=O)c2cc([O-])cs2)cc1 ZINC000732264083 574569381 /nfs/dbraw/zinc/56/93/81/574569381.db2.gz NWFAFCGOGQPQCH-AWEZNQCLSA-N -1 3 303.383 3.440 20 10 DGCDHM COc1ccc(CCCN(C)C(=O)c2cc([O-])cs2)cc1 ZINC000732275819 574569985 /nfs/dbraw/zinc/56/99/85/574569985.db2.gz CHJIERBYURPVHR-UHFFFAOYSA-N -1 3 305.399 3.167 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000732287567 574570935 /nfs/dbraw/zinc/57/09/35/574570935.db2.gz XFFVHNFEFDURRY-CYBMUJFWSA-N -1 3 323.801 3.321 20 10 DGCDHM CN(C)[C@H](CNC(=O)c1cc([O-])cs1)c1ccccc1Cl ZINC000732257025 574570179 /nfs/dbraw/zinc/57/01/79/574570179.db2.gz BPKRCYIALDLRRH-CYBMUJFWSA-N -1 3 324.833 3.140 20 10 DGCDHM O=C(N[C@@H]1CCOc2c(Cl)cccc21)c1cc([O-])cs1 ZINC000732276480 574570182 /nfs/dbraw/zinc/57/01/82/574570182.db2.gz RFCADIZGVQUWKC-LLVKDONJSA-N -1 3 309.774 3.361 20 10 DGCDHM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc([O-])cs1 ZINC000732279092 574570408 /nfs/dbraw/zinc/57/04/08/574570408.db2.gz WSURUDDCJDARQV-UHFFFAOYSA-N -1 3 316.426 3.374 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cc([O-])cs1 ZINC000732282537 574570601 /nfs/dbraw/zinc/57/06/01/574570601.db2.gz PVGKELFEIGTALO-ZFWWWQNUSA-N -1 3 303.383 3.104 20 10 DGCDHM O=C(OCc1ccn(-c2cccc(F)c2)n1)c1cc([O-])cs1 ZINC000732352982 574572065 /nfs/dbraw/zinc/57/20/65/574572065.db2.gz JKNMVPHZAFCQDK-UHFFFAOYSA-N -1 3 318.329 3.136 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCc2ccc(Br)cc21 ZINC000732834958 574584361 /nfs/dbraw/zinc/58/43/61/574584361.db2.gz UCVYQLFLUAXADF-UHFFFAOYSA-N -1 3 324.199 3.419 20 10 DGCDHM [O-]c1ccc(Cl)cc1CNCc1cccc2c1OCCO2 ZINC000733332062 574617082 /nfs/dbraw/zinc/61/70/82/574617082.db2.gz YCRUVHKJECYHAD-UHFFFAOYSA-N -1 3 305.761 3.107 20 10 DGCDHM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2cc([O-])cs2)cc1 ZINC000734868704 574680409 /nfs/dbraw/zinc/68/04/09/574680409.db2.gz JQPPSLQGAQFNLG-AWEZNQCLSA-N -1 3 319.426 3.215 20 10 DGCDHM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1cc([O-])cs1 ZINC000734896769 574682287 /nfs/dbraw/zinc/68/22/87/574682287.db2.gz RRCAPYCEMKCHIB-UHFFFAOYSA-N -1 3 313.718 3.372 20 10 DGCDHM CCOc1ccc(CN[C@@H](C)c2nc(C(C)(C)C)no2)c([O-])c1 ZINC000742390514 574995884 /nfs/dbraw/zinc/99/58/84/574995884.db2.gz JKAGNXZFPZVKMT-NSHDSACASA-N -1 3 319.405 3.322 20 10 DGCDHM C[C@H](NC(=O)c1cc([O-])cs1)c1ccc(-n2cccn2)cc1 ZINC000743814851 575064337 /nfs/dbraw/zinc/06/43/37/575064337.db2.gz IGACHPIHSMUOAL-NSHDSACASA-N -1 3 313.382 3.130 20 10 DGCDHM CN(C)[C@H](CNC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000746697456 575470711 /nfs/dbraw/zinc/47/07/11/575470711.db2.gz VAGAAJBLIOZUNZ-CYBMUJFWSA-N -1 3 324.833 3.140 20 10 DGCDHM COCCCOc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000751070460 575770134 /nfs/dbraw/zinc/77/01/34/575770134.db2.gz UXXDMMUELSUMGJ-UHFFFAOYSA-N -1 3 307.371 3.121 20 10 DGCDHM [O-]c1c(Br)cccc1CN1CC(CC(F)F)C1 ZINC000822520531 628460609 /nfs/dbraw/zinc/46/06/09/628460609.db2.gz FEAGYFHLTFTCPF-UHFFFAOYSA-N -1 3 306.150 3.242 20 10 DGCDHM COCCCN(Cc1ccncc1)Cc1cc(F)cc(F)c1[O-] ZINC000894769367 618448617 /nfs/dbraw/zinc/44/86/17/618448617.db2.gz FKRQGMOANBETLB-UHFFFAOYSA-N -1 3 322.355 3.104 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)N1C ZINC000141902782 618555963 /nfs/dbraw/zinc/55/59/63/618555963.db2.gz PNQIGIDECXNPLX-AOOOYVTPSA-N -1 3 303.233 3.223 20 10 DGCDHM [O-]c1cccc(F)c1CNc1cc(Cl)nc([C@@H]2CCCO2)n1 ZINC000895832676 618839344 /nfs/dbraw/zinc/83/93/44/618839344.db2.gz LOZAEUBZRQALEH-LBPRGKRZSA-N -1 3 323.755 3.438 20 10 DGCDHM Cc1nn(C)c(Cl)c1CNCc1cccc(Cl)c1[O-] ZINC000898220090 619222966 /nfs/dbraw/zinc/22/29/66/619222966.db2.gz UJCUPTMWXUHTJQ-UHFFFAOYSA-N -1 3 300.189 3.031 20 10 DGCDHM Nc1ccc2c(c1)CN(Cc1cc(Cl)ccc1[O-])CCO2 ZINC000903946814 619843698 /nfs/dbraw/zinc/84/36/98/619843698.db2.gz BEOQIJNTXGRJTK-UHFFFAOYSA-N -1 3 304.777 3.022 20 10 DGCDHM CN(C)c1ccc(CN(C(=O)c2ccccc2[O-])C2CC2)cc1 ZINC000914485363 620538287 /nfs/dbraw/zinc/53/82/87/620538287.db2.gz SNGBAFIROCLYSS-UHFFFAOYSA-N -1 3 310.397 3.263 20 10 DGCDHM C[C@H](CCCC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000922189026 621003595 /nfs/dbraw/zinc/00/35/95/621003595.db2.gz IYCDDQTWHNEIAG-SECBINFHSA-N -1 3 322.302 3.452 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1CO ZINC000857062217 621053256 /nfs/dbraw/zinc/05/32/56/621053256.db2.gz ZCZGJLHJOUCBRJ-GXSJLCMTSA-N -1 3 304.217 3.149 20 10 DGCDHM COc1ccc(F)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000857081719 621056441 /nfs/dbraw/zinc/05/64/41/621056441.db2.gz QRPGIUZMZPIOCD-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM C[C@H]1C[C@H](NCc2c([O-])cccc2Br)c2nccn21 ZINC000858172486 621161040 /nfs/dbraw/zinc/16/10/40/621161040.db2.gz WGBROZUXFMPELF-CABZTGNLSA-N -1 3 322.206 3.147 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CC2(CC(F)C2)C1 ZINC000839139133 621340458 /nfs/dbraw/zinc/34/04/58/621340458.db2.gz CMPPLDUBVJMACZ-UHFFFAOYSA-N -1 3 300.171 3.089 20 10 DGCDHM Cc1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC000753574798 621450613 /nfs/dbraw/zinc/45/06/13/621450613.db2.gz FFELMFWOWSDKSX-UHFFFAOYSA-N -1 3 300.377 3.162 20 10 DGCDHM Cc1cccc(CN(C)Cc2c([O-])cccc2Br)n1 ZINC000862247809 621567256 /nfs/dbraw/zinc/56/72/56/621567256.db2.gz CSKMWHLIGFFJPM-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM C[C@H](NCc1ccc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756494001 621641962 /nfs/dbraw/zinc/64/19/62/621641962.db2.gz CMMGJUWSWJLEKW-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cc(F)ccc2F)c1 ZINC000756549380 621647204 /nfs/dbraw/zinc/64/72/04/621647204.db2.gz NJCCWNFCHHICJC-JTQLQIEISA-N -1 3 321.323 3.308 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(Cl)o2)c1 ZINC000756791926 621664739 /nfs/dbraw/zinc/66/47/39/621664739.db2.gz YVMVGXLBRWPHQZ-SECBINFHSA-N -1 3 309.749 3.276 20 10 DGCDHM C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1[O-] ZINC000809696752 621719263 /nfs/dbraw/zinc/71/92/63/621719263.db2.gz QCUXRVBXXHLMBX-UFBFGSQYSA-N -1 3 309.715 3.197 20 10 DGCDHM C[C@@H](Nc1cccc([C@@H]2CNC(=O)C2)c1)c1ccc(F)cc1[O-] ZINC000757619079 621729024 /nfs/dbraw/zinc/72/90/24/621729024.db2.gz KJXQLDIWIPQJRV-YPMHNXCESA-N -1 3 314.360 3.308 20 10 DGCDHM Cc1ccc(CN(C)Cc2cccc(Br)c2[O-])nc1 ZINC000789594337 625532234 /nfs/dbraw/zinc/53/22/34/625532234.db2.gz KPKQUHCOHQWEGC-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM CN(CC(=O)N(C)C1CCCCC1)Cc1c([O-])cccc1Cl ZINC000768303892 622449382 /nfs/dbraw/zinc/44/93/82/622449382.db2.gz UDVLCNBKOXRYNC-UHFFFAOYSA-N -1 3 324.852 3.269 20 10 DGCDHM CCC(CC)C(=O)N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768337127 622450509 /nfs/dbraw/zinc/45/05/09/622450509.db2.gz ATCBMEHTFDZGEH-UHFFFAOYSA-N -1 3 324.852 3.126 20 10 DGCDHM C[C@](O)(C1CCN(Cc2cccc(F)c2[O-])CC1)C(F)(F)F ZINC000768531666 622462529 /nfs/dbraw/zinc/46/25/29/622462529.db2.gz HRWKTKKIJSGNQT-AWEZNQCLSA-N -1 3 321.314 3.057 20 10 DGCDHM CC(=O)NCc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000770567279 622646394 /nfs/dbraw/zinc/64/63/94/622646394.db2.gz ZIRYMMXRKVUOTA-UHFFFAOYSA-N -1 3 304.777 3.294 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCO[C@@H](C(F)F)CC1 ZINC000872257818 622869538 /nfs/dbraw/zinc/86/95/38/622869538.db2.gz XYCXHHKURFXUDV-GFCCVEGCSA-N -1 3 309.715 3.041 20 10 DGCDHM Nc1ccc2c(c1)OCCN(Cc1c([O-])cccc1Cl)C2 ZINC000873220882 623078933 /nfs/dbraw/zinc/07/89/33/623078933.db2.gz ZQMVFEJYGLZMSR-UHFFFAOYSA-N -1 3 304.777 3.022 20 10 DGCDHM COCc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000774483622 623151006 /nfs/dbraw/zinc/15/10/06/623151006.db2.gz GVBCMVPWKPVXQC-LBPRGKRZSA-N -1 3 315.369 3.498 20 10 DGCDHM Cc1cc(NCc2cccc(F)c2[O-])ccc1C(=O)N(C)C ZINC000775118058 623233398 /nfs/dbraw/zinc/23/33/98/623233398.db2.gz JCBMVJCQLOCMIG-UHFFFAOYSA-N -1 3 302.349 3.154 20 10 DGCDHM CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCCc2c1cnn2C ZINC000775732230 623321152 /nfs/dbraw/zinc/32/11/52/623321152.db2.gz MKDYLLBLHRJVML-CQSZACIVSA-N -1 3 323.799 3.428 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1n1ccnc1 ZINC000775738245 623322188 /nfs/dbraw/zinc/32/21/88/623322188.db2.gz XFUNCAWPVZPHIU-IAQYHMDHSA-N -1 3 323.799 3.464 20 10 DGCDHM Cc1cccc2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC000776322702 623411919 /nfs/dbraw/zinc/41/19/19/623411919.db2.gz DCDPYEGFONAOEJ-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM CC(C)c1ccc(OCCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000776334994 623413317 /nfs/dbraw/zinc/41/33/17/623413317.db2.gz ADUFJLCSVCQURO-UHFFFAOYSA-N -1 3 315.369 3.030 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cnn(Cc2ccncc2)c1 ZINC000777463454 623529347 /nfs/dbraw/zinc/52/93/47/623529347.db2.gz GCHHXAZXQDHFSD-UHFFFAOYSA-N -1 3 314.776 3.298 20 10 DGCDHM COCCN(Cc1cccs1)Cc1ccc(F)c(F)c1[O-] ZINC000876547236 623639688 /nfs/dbraw/zinc/63/96/88/623639688.db2.gz LWFLWEVURQASLQ-UHFFFAOYSA-N -1 3 313.369 3.381 20 10 DGCDHM CC[C@@H](C)c1nc([C@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877475118 623899424 /nfs/dbraw/zinc/89/94/24/623899424.db2.gz MBJWBIMVHKMFAO-BDAKNGLRSA-N -1 3 310.348 3.153 20 10 DGCDHM O=C(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)c1cccc(O)c1[O-] ZINC000790767473 625694498 /nfs/dbraw/zinc/69/44/98/625694498.db2.gz LJSCYFBWTYDNJW-BXKDBHETSA-N -1 3 321.735 3.176 20 10 DGCDHM Cc1cc(Br)c([O-])c(CNc2nnc(C3CC3)o2)c1 ZINC000781560247 624093431 /nfs/dbraw/zinc/09/34/31/624093431.db2.gz VPJATMLUBVLESX-UHFFFAOYSA-N -1 3 324.178 3.336 20 10 DGCDHM CCCNc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000790870424 625710411 /nfs/dbraw/zinc/71/04/11/625710411.db2.gz BKXQBLYLQJLEHX-UHFFFAOYSA-N -1 3 300.358 3.480 20 10 DGCDHM O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000790874342 625711089 /nfs/dbraw/zinc/71/10/89/625711089.db2.gz COXKDKFASWNREZ-VHSXEESVSA-N -1 3 317.307 3.196 20 10 DGCDHM C[C@@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(O)c1[O-] ZINC000790882404 625712176 /nfs/dbraw/zinc/71/21/76/625712176.db2.gz NJQLHGVTSACTJM-SECBINFHSA-N -1 3 319.307 3.136 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@H](C)[C@H](C)O1 ZINC000783738882 624390070 /nfs/dbraw/zinc/39/00/70/624390070.db2.gz YHKIJZVYMDOLOE-MXWKQRLJSA-N -1 3 314.223 3.152 20 10 DGCDHM NC(=O)N1CCc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000785572616 624689202 /nfs/dbraw/zinc/68/92/02/624689202.db2.gz QHRIPWRQMCXTAO-UHFFFAOYSA-N -1 3 317.776 3.099 20 10 DGCDHM Cc1ccc2nc(CNCc3c([O-])ccc(Cl)c3F)cn2c1 ZINC000790959077 625723044 /nfs/dbraw/zinc/72/30/44/625723044.db2.gz DTHLRFQRHACDMM-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM C[C@](CO)(NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000790966659 625724986 /nfs/dbraw/zinc/72/49/86/625724986.db2.gz YHKVDQREQANTDP-MRXNPFEDSA-N -1 3 309.768 3.182 20 10 DGCDHM COc1ccccc1C1(NCc2cc(F)cc(F)c2[O-])CC1 ZINC000883152311 625944432 /nfs/dbraw/zinc/94/44/32/625944432.db2.gz RAQWGUWEKCRHOP-UHFFFAOYSA-N -1 3 305.324 3.458 20 10 DGCDHM CC[C@@H](NCc1cn2ccsc2n1)c1ccc(F)cc1[O-] ZINC000796706981 626075059 /nfs/dbraw/zinc/07/50/59/626075059.db2.gz BXHGVFIKIKQJFX-CYBMUJFWSA-N -1 3 305.378 3.481 20 10 DGCDHM Cc1ccc(-c2ccnn2C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000799037867 626266736 /nfs/dbraw/zinc/26/67/36/626266736.db2.gz WDDXFKIZDOURJZ-UHFFFAOYSA-N -1 3 323.352 3.059 20 10 DGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1cc(Br)ccc1[O-] ZINC000131502739 626646110 /nfs/dbraw/zinc/64/61/10/626646110.db2.gz XANRBDOJSYMPJW-ZWNOBZJWSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@H](N[C@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130349 626700609 /nfs/dbraw/zinc/70/06/09/626700609.db2.gz WDEVCWNFCRQYPH-GJZGRUSLSA-N -1 3 318.804 3.313 20 10 DGCDHM CCOC1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000132467211 626720130 /nfs/dbraw/zinc/72/01/30/626720130.db2.gz ZTLYLQMZZTURIW-UHFFFAOYSA-N -1 3 314.223 3.156 20 10 DGCDHM C[C@H](Nc1ccc(COCCO)cc1)c1c([O-])cccc1F ZINC000886629293 627176398 /nfs/dbraw/zinc/17/63/98/627176398.db2.gz AHPVYHFQIKLSOG-LBPRGKRZSA-N -1 3 305.349 3.213 20 10 DGCDHM C[C@H](O)[C@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631618 627177133 /nfs/dbraw/zinc/17/71/33/627177133.db2.gz RHQGGIYCUAVXMW-DINDLPBHSA-N -1 3 307.340 3.443 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC(O)(c2ccc(Cl)cc2)C1 ZINC000811509521 627284401 /nfs/dbraw/zinc/28/44/01/627284401.db2.gz STMQEGASCNFRKE-UHFFFAOYSA-N -1 3 324.207 3.402 20 10 DGCDHM CN(CC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1[O-] ZINC000816499186 627797498 /nfs/dbraw/zinc/79/74/98/627797498.db2.gz IIVRHOWAJIWLPK-UHFFFAOYSA-N -1 3 301.386 3.319 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000816501756 627797595 /nfs/dbraw/zinc/79/75/95/627797595.db2.gz AAHLOPYOIDSXCR-GFCCVEGCSA-N -1 3 309.772 3.218 20 10 DGCDHM CC(C)OC(=O)[C@H](C)N(C)Cc1ccc2ccccc2c1[O-] ZINC000816516933 627800204 /nfs/dbraw/zinc/80/02/04/627800204.db2.gz XKXMDUBAXGZVIW-ZDUSSCGKSA-N -1 3 301.386 3.317 20 10 DGCDHM CCc1nc(CNCc2cc(Cl)c(F)cc2[O-])cs1 ZINC000816547440 627805208 /nfs/dbraw/zinc/80/52/08/627805208.db2.gz WJOWTQCLBCGLFE-UHFFFAOYSA-N -1 3 300.786 3.493 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cnn(C2CCCC2)c1 ZINC000925880981 627811108 /nfs/dbraw/zinc/81/11/08/627811108.db2.gz OXVODAAARRDRMB-UHFFFAOYSA-N -1 3 318.352 3.165 20 10 DGCDHM CC(C)[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816676281 627823241 /nfs/dbraw/zinc/82/32/41/627823241.db2.gz WWAQJFXMYMIRLS-OAHLLOKOSA-N -1 3 301.789 3.432 20 10 DGCDHM O=C(NCc1ccccc1O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816912211 627839633 /nfs/dbraw/zinc/83/96/33/627839633.db2.gz OIOCZKILXGUDLH-UHFFFAOYSA-N -1 3 311.259 3.047 20 10 DGCDHM C[C@H](NCc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927091729 628012941 /nfs/dbraw/zinc/01/29/41/628012941.db2.gz RSEPEBACYQUEGV-NSHDSACASA-N -1 3 314.341 3.086 20 10 DGCDHM COc1ccc([C@@H](C)CC(=O)NCc2c([O-])cccc2F)cc1 ZINC000928705589 628179287 /nfs/dbraw/zinc/17/92/87/628179287.db2.gz LOUPSMRQDWLYTG-LBPRGKRZSA-N -1 3 317.360 3.350 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1SCCc2sccc21 ZINC000928705488 628179547 /nfs/dbraw/zinc/17/95/47/628179547.db2.gz KNHFKRAXZWFFBI-CQSZACIVSA-N -1 3 323.414 3.240 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1CCCc2sccc21 ZINC000928704926 628179569 /nfs/dbraw/zinc/17/95/69/628179569.db2.gz GFLIYZXBOIJQPD-NSHDSACASA-N -1 3 305.374 3.329 20 10 DGCDHM CC(C)OCc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928707799 628179956 /nfs/dbraw/zinc/17/99/56/628179956.db2.gz BUBBQLAJZYAJEZ-UHFFFAOYSA-N -1 3 317.360 3.386 20 10 DGCDHM Cc1ccc(C(=O)CCC(=O)NCc2c([O-])cccc2F)s1 ZINC000928709905 628180395 /nfs/dbraw/zinc/18/03/95/628180395.db2.gz NMQXOHHRQCTCCI-UHFFFAOYSA-N -1 3 321.373 3.181 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(c3ccccn3)CC2)cc1Cl ZINC000824491786 628665007 /nfs/dbraw/zinc/66/50/07/628665007.db2.gz VQIBSZFTXDWBEG-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM CN(Cc1c([O-])ccc(Cl)c1F)[C@@H](CO)c1ccccc1 ZINC000824696391 628684507 /nfs/dbraw/zinc/68/45/07/628684507.db2.gz MHCNTZVTEBXXHB-AWEZNQCLSA-N -1 3 309.768 3.350 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Cl)c(C)cc2[O-])C[C@H](C)[S@@]1=O ZINC000825886829 628807492 /nfs/dbraw/zinc/80/74/92/628807492.db2.gz QQVPFVHTYVVBCR-SCLGINMFSA-N -1 3 315.866 3.085 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)CO ZINC000827699459 628983886 /nfs/dbraw/zinc/98/38/86/628983886.db2.gz HQHNBKZJAYBOKB-XPTSAGLGSA-N -1 3 304.217 3.149 20 10 DGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000831526998 629385699 /nfs/dbraw/zinc/38/56/99/629385699.db2.gz BBBYJJATGTWFIX-BMIGLBTASA-N -1 3 311.809 3.105 20 10 DGCDHM CCN1C(=O)C(C)(C)N[C@@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000840834643 630364448 /nfs/dbraw/zinc/36/44/48/630364448.db2.gz YULWXXZACISOCX-KRWDZBQOSA-N -1 3 310.397 3.288 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(CC(F)(F)F)CC2)c(Cl)c1 ZINC000840909593 630376261 /nfs/dbraw/zinc/37/62/61/630376261.db2.gz JRGICMBBBIKAJD-UHFFFAOYSA-N -1 3 322.758 3.034 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2ccncn2)CC1 ZINC000840953578 630383893 /nfs/dbraw/zinc/38/38/93/630383893.db2.gz UZLXXKLPXKAHJR-UHFFFAOYSA-N -1 3 321.783 3.354 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2cscn2)c1 ZINC000850511336 632175321 /nfs/dbraw/zinc/17/53/21/632175321.db2.gz CHLFDHNLUMEDBN-VHSXEESVSA-N -1 3 306.387 3.047 20 10 DGCDHM CC[C@H](NCc1nccc(OC)c1F)c1ccc(F)cc1[O-] ZINC000850536729 632185701 /nfs/dbraw/zinc/18/57/01/632185701.db2.gz MZVHHEXHDIQLEY-LBPRGKRZSA-N -1 3 308.328 3.315 20 10 DGCDHM CC[C@H](NCc1ncccn1)c1ccc(C(F)(F)F)cc1[O-] ZINC000850552468 632190287 /nfs/dbraw/zinc/19/02/87/632190287.db2.gz MQWGVIHBZSQESC-LBPRGKRZSA-N -1 3 311.307 3.442 20 10 DGCDHM CCCCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(C)C ZINC000185791523 660242340 /nfs/dbraw/zinc/24/23/40/660242340.db2.gz UVJNNKZMMMWQJU-LSDHHAIUSA-N -1 3 321.417 3.154 20 10 DGCDHM CC[C@@H](NCc1ncccn1)c1cc(Br)ccc1[O-] ZINC000702331301 660721822 /nfs/dbraw/zinc/72/18/22/660721822.db2.gz SYLHOXOPTBWGLW-GFCCVEGCSA-N -1 3 322.206 3.186 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCCC(F)(F)C1 ZINC000707135818 660890051 /nfs/dbraw/zinc/89/00/51/660890051.db2.gz RHTOOBMRQXROPY-UHFFFAOYSA-N -1 3 306.150 3.386 20 10 DGCDHM C[C@H]1N(Cc2cc(Br)ccc2[O-])CCOC1(C)C ZINC000708259242 660919477 /nfs/dbraw/zinc/91/94/77/660919477.db2.gz WVXVAYQNTBEKCC-SNVBAGLBSA-N -1 3 314.223 3.154 20 10 DGCDHM CN(C)c1ccc(C=Cc2nccc(=O)[n-]2)c(C(F)(F)F)c1 ZINC000794942474 661115595 /nfs/dbraw/zinc/11/55/95/661115595.db2.gz NJHDSEPHCGTBLM-GQCTYLIASA-N -1 3 309.291 3.437 20 10 DGCDHM CCN(CC)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000184773062 656425462 /nfs/dbraw/zinc/42/54/62/656425462.db2.gz BWZWXWDAMYBZEL-UHFFFAOYSA-N -1 3 300.358 3.196 20 10 DGCDHM O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000184771415 656425480 /nfs/dbraw/zinc/42/54/80/656425480.db2.gz XCWNAZPWIGNILL-UHFFFAOYSA-N -1 3 313.231 3.249 20 10 DGCDHM CC(C)c1ccccc1OCCNC(=O)c1cccc(O)c1[O-] ZINC000193063909 662122114 /nfs/dbraw/zinc/12/21/14/662122114.db2.gz KSDPQWVPBHQCJL-UHFFFAOYSA-N -1 3 315.369 3.030 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(CCO)c2ccccc2)c1[O-] ZINC000085822891 685063152 /nfs/dbraw/zinc/06/31/52/685063152.db2.gz ILOKTUOZHPUWLF-UHFFFAOYSA-N -1 3 319.788 3.247 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccnc(-c2ccco2)c1 ZINC001596917132 1192711048 /nfs/dbraw/zinc/71/10/48/1192711048.db2.gz VRXLNJICCUMQED-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H](CF)c1ccc(F)cc1 ZINC001687379877 1176840780 /nfs/dbraw/zinc/84/07/80/1176840780.db2.gz BXAGZSSODABLEW-AWEZNQCLSA-N -1 3 324.302 3.180 20 10 DGCDHM Cc1ccc(C[N@@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([O-])c1 ZINC001600415088 1192849058 /nfs/dbraw/zinc/84/90/58/1192849058.db2.gz AHBNIPIXBJLMAV-IRXDYDNUSA-N -1 3 311.381 3.491 20 10 DGCDHM Cc1ccc(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([O-])c1 ZINC001600415088 1192849064 /nfs/dbraw/zinc/84/90/64/1192849064.db2.gz AHBNIPIXBJLMAV-IRXDYDNUSA-N -1 3 311.381 3.491 20 10 DGCDHM Cc1noc(C)c1[C@H](C)N[C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808644 1192899921 /nfs/dbraw/zinc/89/99/21/1192899921.db2.gz WTFRGMPSDHZFEH-BDAKNGLRSA-N -1 3 304.346 3.107 20 10 DGCDHM Cc1c[nH]c(-c2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc2)n1 ZINC001300082425 1180378629 /nfs/dbraw/zinc/37/86/29/1180378629.db2.gz MRCXAVZNNGNJDE-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM [O-]c1cccnc1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC001200593516 1180745750 /nfs/dbraw/zinc/74/57/50/1180745750.db2.gz MCLOWIHIODROAR-UHFFFAOYSA-N -1 3 311.769 3.066 20 10 DGCDHM C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001604184176 1193058609 /nfs/dbraw/zinc/05/86/09/1193058609.db2.gz HTBMFJNLTKKYHV-DTWKUNHWSA-N -1 3 305.296 3.330 20 10 DGCDHM C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1cc(C(=O)[O-])ccc1[O-] ZINC001604338633 1193066997 /nfs/dbraw/zinc/06/69/97/1193066997.db2.gz PRIXQXGXSVQMKK-AMFBXLIHSA-N -1 3 315.772 3.446 20 10 DGCDHM CCN(CC)c1ccc(CNCc2cc(C(=O)[O-])c(C)[nH]2)cc1 ZINC001605436036 1193150556 /nfs/dbraw/zinc/15/05/56/1193150556.db2.gz YZADQSUFUFTAAE-UHFFFAOYSA-N -1 3 315.417 3.157 20 10 DGCDHM O=C(CCc1ccc(Cl)cc1)NCc1c([O-])cccc1F ZINC001456082520 1182396672 /nfs/dbraw/zinc/39/66/72/1182396672.db2.gz AXCBWRHMPSKMFY-UHFFFAOYSA-N -1 3 307.752 3.434 20 10 DGCDHM CCOc1ccc(C[NH2+][C@H](CC2CCCCC2)C(=O)[O-])c([O-])c1 ZINC001605691869 1193165568 /nfs/dbraw/zinc/16/55/68/1193165568.db2.gz NLARJROZVMICCM-MRXNPFEDSA-N -1 3 321.417 3.304 20 10 DGCDHM Cn1c(CNCc2cc(Cl)cc(F)c2[O-])nc2ccccc21 ZINC001461155710 1182775761 /nfs/dbraw/zinc/77/57/61/1182775761.db2.gz JRHIGKJIOZIIDD-UHFFFAOYSA-N -1 3 319.767 3.361 20 10 DGCDHM CN(Cc1ccoc1C(=O)[O-])Cc1ccc(N2CCCC2)cc1 ZINC001606160653 1193192178 /nfs/dbraw/zinc/19/21/78/1193192178.db2.gz VQNVWLDJJOFYDQ-UHFFFAOYSA-N -1 3 314.385 3.210 20 10 DGCDHM COCC1(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CCCCC1 ZINC001606840784 1193205624 /nfs/dbraw/zinc/20/56/24/1193205624.db2.gz KTZWNXJAUZFHLV-CYBMUJFWSA-N -1 3 321.417 3.338 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc([N+](=O)[O-])c1Cl ZINC001471976118 1183604363 /nfs/dbraw/zinc/60/43/63/1183604363.db2.gz QXSPCHMKABYSDN-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM CCCCCC[C@H](O)CCC(=O)NCc1c([O-])cccc1F ZINC001471976344 1183604547 /nfs/dbraw/zinc/60/45/47/1183604547.db2.gz XADSTYYDMWATIP-ZDUSSCGKSA-N -1 3 311.397 3.259 20 10 DGCDHM Cc1cc(CN2CCc3cc(C(=O)[O-])ccc3C2)ccc1N(C)C ZINC001607641412 1193243639 /nfs/dbraw/zinc/24/36/39/1193243639.db2.gz BRWJSZWHSLRRCR-UHFFFAOYSA-N -1 3 324.424 3.318 20 10 DGCDHM C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609782341 1193356865 /nfs/dbraw/zinc/35/68/65/1193356865.db2.gz ZUCSHZUJFCVRLH-CYBMUJFWSA-N -1 3 320.433 3.006 20 10 DGCDHM CCC(CC)[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])N(C)C ZINC001609916448 1193364708 /nfs/dbraw/zinc/36/47/08/1193364708.db2.gz AGAGKIWBMQLYJT-LRDDRELGSA-N -1 3 322.449 3.107 20 10 DGCDHM CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C12CCC2 ZINC001610034664 1193372863 /nfs/dbraw/zinc/37/28/63/1193372863.db2.gz UBSMXLTVBNFHKB-HFBAOOFYSA-N -1 3 319.401 3.089 20 10 DGCDHM CN(C)c1ccc(CN(Cc2ccc(C(=O)[O-])o2)C2CC2)cc1 ZINC001610104774 1193376756 /nfs/dbraw/zinc/37/67/56/1193376756.db2.gz HGPKLILKPCNZPE-UHFFFAOYSA-N -1 3 314.385 3.208 20 10 DGCDHM Cc1cc([O-])c(CNCC(F)(F)Br)c(Cl)c1 ZINC001560465165 1189331305 /nfs/dbraw/zinc/33/13/05/1189331305.db2.gz JJYOPZYWSJFQGB-UHFFFAOYSA-N -1 3 314.557 3.431 20 10 DGCDHM Cn1cnc(-c2ccc(NCc3ccc(Cl)cc3[O-])cc2)n1 ZINC001560742587 1189371932 /nfs/dbraw/zinc/37/19/32/1189371932.db2.gz HQRZEMHGLSFVJP-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM CC[C@@H]1CCCC[C@@H]1OCC(=O)NCc1c([O-])cccc1F ZINC001635361154 1194547065 /nfs/dbraw/zinc/54/70/65/1194547065.db2.gz YDANCAUJDKDJGP-WBMJQRKESA-N -1 3 309.381 3.133 20 10 DGCDHM CCOc1cc(Cl)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001635986970 1194583927 /nfs/dbraw/zinc/58/39/27/1194583927.db2.gz GMEFICWNAVSLAR-UHFFFAOYSA-N -1 3 307.733 3.402 20 10 DGCDHM C[C@H](CC(=O)NCc1c([O-])cccc1F)c1cccc(F)c1 ZINC001638863208 1194741490 /nfs/dbraw/zinc/74/14/90/1194741490.db2.gz KRSLMZKKXACLCD-LLVKDONJSA-N -1 3 305.324 3.480 20 10 DGCDHM CC(C)(C)Oc1ccc(C(=O)NCc2c([O-])cccc2F)nc1 ZINC001645048245 1195152726 /nfs/dbraw/zinc/15/27/26/1195152726.db2.gz MYAFBROWJMMPIJ-UHFFFAOYSA-N -1 3 318.348 3.034 20 10 DGCDHM Cc1nc(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)[nH]c1C ZINC001651067989 1195409709 /nfs/dbraw/zinc/40/97/09/1195409709.db2.gz OBVOELFEPDOMHQ-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM COc1ccc2c(c1)OCCN(Cc1ccc(Cl)cc1[O-])C2 ZINC001652294881 1195577263 /nfs/dbraw/zinc/57/72/63/1195577263.db2.gz DQQOUAAIWZBVAP-UHFFFAOYSA-N -1 3 319.788 3.449 20 10 DGCDHM COC(=O)c1cc(NCc2cc(F)c(F)cc2[O-])ccc1C ZINC001659288088 1196368052 /nfs/dbraw/zinc/36/80/52/1196368052.db2.gz ASCGGENVPRYUEW-UHFFFAOYSA-N -1 3 307.296 3.378 20 10 DGCDHM CCOC(=O)[C@@H](C)N(Cc1cc(Cl)c(C)cc1[O-])C1CC1 ZINC001659477221 1196387414 /nfs/dbraw/zinc/38/74/14/1196387414.db2.gz PTPRABWSMRUBPX-LLVKDONJSA-N -1 3 311.809 3.270 20 10 DGCDHM CCc1cc(Cl)cnc1NC(=O)NCc1c([O-])cccc1F ZINC001663802974 1196946668 /nfs/dbraw/zinc/94/66/68/1196946668.db2.gz HGQFNBUZVDZHHR-UHFFFAOYSA-N -1 3 323.755 3.464 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1ccc(OCCCO)cc1 ZINC001664659353 1197028557 /nfs/dbraw/zinc/02/85/57/1197028557.db2.gz PRUCUZAGVDCXOF-UHFFFAOYSA-N -1 3 309.312 3.044 20 10 DGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)cc([N+](=O)[O-])c1 ZINC001665333002 1197124367 /nfs/dbraw/zinc/12/43/67/1197124367.db2.gz HOEJVKGKUFZTDH-UHFFFAOYSA-N -1 3 319.292 3.070 20 10 DGCDHM Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC001677315980 1198513740 /nfs/dbraw/zinc/51/37/40/1198513740.db2.gz UEYBDLWHZFTEIN-INIZCTEOSA-N -1 3 314.360 3.326 20 10 DGCDHM COc1cccc(NC(=O)NCc2c([O-])cccc2F)c1C ZINC001679209104 1198773933 /nfs/dbraw/zinc/77/39/33/1198773933.db2.gz HKACRBQMILYPGT-UHFFFAOYSA-N -1 3 304.321 3.170 20 10 DGCDHM COCCS(=O)(=O)[N-]c1ccc(/N=N/c2ccccc2)cc1 ZINC000154289774 1202597311 /nfs/dbraw/zinc/59/73/11/1202597311.db2.gz YOCSXAFMHUMKEW-WUKNDPDISA-N -1 3 319.386 3.490 20 10 DGCDHM CN(Cc1ccc(C(=O)[O-])o1)Cc1ccc(N2CCCC2)cc1 ZINC001140947095 960506611 /nfs/dbraw/zinc/50/66/11/960506611.db2.gz TYLREIXDOLZIHO-UHFFFAOYSA-N -1 3 314.385 3.210 20 10 DGCDHM C/C(=C\C(=O)[O-])CN(Cc1ccco1)Cc1ccccc1O ZINC001588946573 984658313 /nfs/dbraw/zinc/65/83/13/984658313.db2.gz TVUIKZXCMGMAGD-UKTHLTGXSA-N -1 3 301.342 3.018 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2cc(C(=O)[O-])cs2)cc1 ZINC001598519195 992657333 /nfs/dbraw/zinc/65/73/33/992657333.db2.gz KAKUIZPKQRSNRO-UHFFFAOYSA-N -1 3 304.415 3.144 20 10 DGCDHM COc1ccc(F)c(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001599581582 998540173 /nfs/dbraw/zinc/54/01/73/998540173.db2.gz VGUKCOMJNHBSBX-JTQLQIEISA-N -1 3 319.332 3.089 20 10 DGCDHM Cc1cc([O-])c(CN[C@H](C(=O)OC(C)C)C(C)C)cc1Cl ZINC001181921273 1083584356 /nfs/dbraw/zinc/58/43/56/1083584356.db2.gz SKBSNLKIDRCNEF-HNNXBMFYSA-N -1 3 313.825 3.420 20 10 DGCDHM C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1CO ZINC001203573486 1083991490 /nfs/dbraw/zinc/99/14/90/1083991490.db2.gz BXRGYPVYSGTIGE-ZANVPECISA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CC(F)(C2CC2)C1 ZINC001203636558 1084633647 /nfs/dbraw/zinc/63/36/47/1084633647.db2.gz XGNUFZIIZMPALA-UHFFFAOYSA-N -1 3 300.171 3.089 20 10 DGCDHM Cc1cccnc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC001203647993 1084709094 /nfs/dbraw/zinc/70/90/94/1084709094.db2.gz AZWJIQXQXZYRNN-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM Cc1ccc(C(=O)Nc2n[nH]cc2-c2ccccc2)c([O-])c1O ZINC001158677281 1087970849 /nfs/dbraw/zinc/97/08/49/1087970849.db2.gz UFMDHDSXYUBHEK-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM [O-]c1c(CNc2ncc(CF)cn2)cc(Cl)c2cccnc12 ZINC001168522065 1088525468 /nfs/dbraw/zinc/52/54/68/1088525468.db2.gz OLZPWHUMQDTPOY-UHFFFAOYSA-N -1 3 318.739 3.465 20 10 DGCDHM Cc1nccc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168522572 1088531980 /nfs/dbraw/zinc/53/19/80/1088531980.db2.gz FWVFLFGABGQSDI-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM Cc1ccc[n+]([O-])c1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168523573 1088588624 /nfs/dbraw/zinc/58/86/24/1088588624.db2.gz PQZLAEGACBWVEN-UHFFFAOYSA-N -1 3 315.760 3.148 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCCC[C@@](O)(CF)C1 ZINC001203574476 1090759887 /nfs/dbraw/zinc/75/98/87/1090759887.db2.gz XYBSOLKDTWAUTH-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM Cc1ccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)nc1 ZINC001203658504 1090774819 /nfs/dbraw/zinc/77/48/19/1090774819.db2.gz YOXUYAWMVPFDNV-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM COC(=O)c1cccc2c1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001203658352 1090774912 /nfs/dbraw/zinc/77/49/12/1090774912.db2.gz RYZNPLPWDDZLAG-UHFFFAOYSA-N -1 3 317.772 3.348 20 10 DGCDHM CSc1ncc2c(n1)CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC001203664412 1090775686 /nfs/dbraw/zinc/77/56/86/1090775686.db2.gz DULGJBQZIDKTPK-UHFFFAOYSA-N -1 3 321.833 3.116 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC(Oc2ccc(F)cc2)C1 ZINC001203664295 1090776273 /nfs/dbraw/zinc/77/62/73/1090776273.db2.gz WNPXABFCGDDDCE-UHFFFAOYSA-N -1 3 307.752 3.448 20 10 DGCDHM Cc1cnccc1O[C@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689766 1091642687 /nfs/dbraw/zinc/64/26/87/1091642687.db2.gz LXYGNSJWYTWGCX-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CC2(C1)CC(F)(F)C2 ZINC001140098578 1091767261 /nfs/dbraw/zinc/76/72/61/1091767261.db2.gz FXSYPYSKDKYECL-UHFFFAOYSA-N -1 3 318.161 3.386 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCc2ccncc2C1 ZINC001140101441 1091769039 /nfs/dbraw/zinc/76/90/39/1091769039.db2.gz RSNGHTHUQKWNAL-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM CCC[C@H](C)c1cc(NC(=O)c2ccc(C)c(O)c2[O-])n[nH]1 ZINC001299914855 1092174071 /nfs/dbraw/zinc/17/40/71/1092174071.db2.gz FRQYRQFRUYFOIV-VIFPVBQESA-N -1 3 303.362 3.285 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001215145874 1093927053 /nfs/dbraw/zinc/92/70/53/1093927053.db2.gz OGNVXILDYWDGPX-UHFFFAOYSA-N -1 3 310.309 3.356 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccccc2-c2cnco2)no1 ZINC001215145801 1093927223 /nfs/dbraw/zinc/92/72/23/1093927223.db2.gz JZZJIPXOYZAVLA-UHFFFAOYSA-N -1 3 321.292 3.470 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)ccc2Cl)no1 ZINC001215325489 1093960332 /nfs/dbraw/zinc/96/03/32/1093960332.db2.gz WLPXAIVGYIVKDC-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3occc3c2)no1 ZINC001215325350 1093960406 /nfs/dbraw/zinc/96/04/06/1093960406.db2.gz NVIVSBBEKKIQCU-UHFFFAOYSA-N -1 3 310.265 3.267 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc3cnccc3c2)no1 ZINC001215325116 1093960534 /nfs/dbraw/zinc/96/05/34/1093960534.db2.gz BLIIABAEYOPETN-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM Cc1cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc(C)c1F ZINC001215325222 1093961033 /nfs/dbraw/zinc/96/10/33/1093961033.db2.gz HJNUTSWZFJDEAB-UHFFFAOYSA-N -1 3 316.288 3.276 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(Cl)cc3)no2)cc1O ZINC001215327749 1093961521 /nfs/dbraw/zinc/96/15/21/1093961521.db2.gz QVODVIOBXURDLX-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM C[C@H](NCc1cccc(Br)c1[O-])c1cscn1 ZINC000697936653 1095053219 /nfs/dbraw/zinc/05/32/19/1095053219.db2.gz SWGXECUOKXCIPB-QMMMGPOBSA-N -1 3 313.220 3.462 20 10 DGCDHM CCNC(=O)c1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000316279430 1095167271 /nfs/dbraw/zinc/16/72/71/1095167271.db2.gz SEWJMVQGOFFPJT-NSHDSACASA-N -1 3 302.349 3.454 20 10 DGCDHM C[C@H](Nc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000316290106 1095167804 /nfs/dbraw/zinc/16/78/04/1095167804.db2.gz UGDPVLVPSUZSED-NSHDSACASA-N -1 3 302.349 3.406 20 10 DGCDHM Cc1ccc(CN2CCN(Cc3c([O-])cccc3F)CC2)cc1 ZINC001137837741 1095759523 /nfs/dbraw/zinc/75/95/23/1095759523.db2.gz SNKADXVAVAOCAN-UHFFFAOYSA-N -1 3 314.404 3.158 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1c1ccc(F)cc1F ZINC001148218788 1096328173 /nfs/dbraw/zinc/32/81/73/1096328173.db2.gz LFZLKNYPLWOYJL-CQSZACIVSA-N -1 3 319.307 3.353 20 10 DGCDHM Cc1ccc(OC(C)C)cc1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586313 1096407037 /nfs/dbraw/zinc/40/70/37/1096407037.db2.gz KOLTTZSMSFRMMZ-UHFFFAOYSA-N -1 3 317.341 3.151 20 10 DGCDHM CC(C)(C)c1ccc(O)c(NC(=O)c2cc(O)c([O-])c(O)c2)c1 ZINC001148585846 1096407752 /nfs/dbraw/zinc/40/77/52/1096407752.db2.gz AOFZCUBZHWJBGA-UHFFFAOYSA-N -1 3 317.341 3.059 20 10 DGCDHM CC(C)[C@](C)(Cc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC001171557305 1096922710 /nfs/dbraw/zinc/92/27/10/1096922710.db2.gz OZNVRNAUNLFAKK-IBGZPJMESA-N -1 3 313.397 3.485 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001231563079 1097779016 /nfs/dbraw/zinc/77/90/16/1097779016.db2.gz DTLHQSKLFYOCRH-INIZCTEOSA-N -1 3 311.381 3.470 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC001231563079 1097779018 /nfs/dbraw/zinc/77/90/18/1097779018.db2.gz DTLHQSKLFYOCRH-INIZCTEOSA-N -1 3 311.381 3.470 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001231566303 1097780116 /nfs/dbraw/zinc/78/01/16/1097780116.db2.gz XCTMLBNHWDBCPL-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001231566303 1097780119 /nfs/dbraw/zinc/78/01/19/1097780119.db2.gz XCTMLBNHWDBCPL-CQSZACIVSA-N -1 3 315.344 3.219 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCCC[C@](O)(C(F)(F)F)C1 ZINC001231909726 1097889137 /nfs/dbraw/zinc/88/91/37/1097889137.db2.gz ICOHDKXCNNHIME-CYBMUJFWSA-N -1 3 323.742 3.325 20 10 DGCDHM COc1cccc2c1CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232260901 1097984950 /nfs/dbraw/zinc/98/49/50/1097984950.db2.gz SNUHFNUCMVSXCS-UHFFFAOYSA-N -1 3 319.788 3.318 20 10 DGCDHM Cc1cc([C@@H]2CCCN2Cc2cc(Cl)c([O-])cc2O)no1 ZINC001232260400 1097985423 /nfs/dbraw/zinc/98/54/23/1097985423.db2.gz PNGHTIHUDHNYHN-ZDUSSCGKSA-N -1 3 308.765 3.385 20 10 DGCDHM [O-]c1cc(O)c(CN2CCO[C@@H](c3ccccc3)C2)cc1Cl ZINC001232263339 1097985914 /nfs/dbraw/zinc/98/59/14/1097985914.db2.gz NEIILIOBEPDKJY-QGZVFWFLSA-N -1 3 319.788 3.325 20 10 DGCDHM COc1cc([O-])c(CN2Cc3nc(C)sc3C2)cc1Cl ZINC001232271607 1097988205 /nfs/dbraw/zinc/98/82/05/1097988205.db2.gz YEVDKTVLTOWTOC-UHFFFAOYSA-N -1 3 310.806 3.335 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ncsc3C2)cc1Cl ZINC001232270019 1097988642 /nfs/dbraw/zinc/98/86/42/1097988642.db2.gz PQTYLIQMVXDLCA-UHFFFAOYSA-N -1 3 310.806 3.069 20 10 DGCDHM COc1cc([O-])c(CN2CCc3cccnc3C2)cc1Cl ZINC001232267672 1097988882 /nfs/dbraw/zinc/98/88/82/1097988882.db2.gz DOAHVNLFTFBXFP-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2cc(Cl)ncc2[O-])cc1 ZINC001233037674 1098210256 /nfs/dbraw/zinc/21/02/56/1098210256.db2.gz GOTRUJGCLBOWQA-UHFFFAOYSA-N -1 3 305.809 3.139 20 10 DGCDHM COc1ccc(N2CCN(Cc3ccc([S-])cc3)CC2)cc1 ZINC001233258648 1098266150 /nfs/dbraw/zinc/26/61/50/1098266150.db2.gz NSWOGNZNMSIJEK-UHFFFAOYSA-N -1 3 314.454 3.306 20 10 DGCDHM Cc1ncc(CN(C)Cc2cccc(C(F)(F)F)c2[O-])cn1 ZINC001233418922 1098325073 /nfs/dbraw/zinc/32/50/73/1098325073.db2.gz BRRMXGBDOCSOHT-UHFFFAOYSA-N -1 3 311.307 3.141 20 10 DGCDHM CN(Cc1nccs1)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454726 1098339544 /nfs/dbraw/zinc/33/95/44/1098339544.db2.gz IBUQNZPQBAKMCP-UHFFFAOYSA-N -1 3 302.321 3.500 20 10 DGCDHM C[C@H](NC(=O)NCc1c([O-])cccc1F)[C@@]12C[C@@H]1CCCC2 ZINC001234447720 1098556569 /nfs/dbraw/zinc/55/65/69/1098556569.db2.gz SEJHRCQTHDCKCD-NVGCLXPQSA-N -1 3 306.381 3.299 20 10 DGCDHM [O-]c1c(CN2CC[C@H](O)C(F)(F)C2)cccc1-c1ccccc1 ZINC001234996668 1098739167 /nfs/dbraw/zinc/73/91/67/1098739167.db2.gz LVNQUEGSNSJAFZ-INIZCTEOSA-N -1 3 319.351 3.261 20 10 DGCDHM CCn1cc(NCc2cc(C)cc(Br)c2[O-])cn1 ZINC001178192113 1098742753 /nfs/dbraw/zinc/74/27/53/1098742753.db2.gz UDLIIFIQKXZLAK-UHFFFAOYSA-N -1 3 310.195 3.292 20 10 DGCDHM Cc1nc(CN(C)Cc2cccc(-c3ccccc3)c2[O-])no1 ZINC001235000469 1098743082 /nfs/dbraw/zinc/74/30/82/1098743082.db2.gz IKHLFTUKIBTFBY-UHFFFAOYSA-N -1 3 309.369 3.383 20 10 DGCDHM CC(C)(C)c1nc(C(=O)NCc2c([O-])cccc2F)cs1 ZINC001178412564 1098828070 /nfs/dbraw/zinc/82/80/70/1098828070.db2.gz AFCBWYXPGAWJEW-UHFFFAOYSA-N -1 3 308.378 3.215 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(C(C)(C)C)nc2)c([O-])c1O ZINC001180010283 1099280148 /nfs/dbraw/zinc/28/01/48/1099280148.db2.gz TYTDJAVXIDRGMM-UHFFFAOYSA-N -1 3 300.358 3.351 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])CC(C)(C)O1 ZINC000691675499 1099924178 /nfs/dbraw/zinc/92/41/78/1099924178.db2.gz IYHWHQGKQIVYTR-SNVBAGLBSA-N -1 3 314.223 3.154 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN(CCO)Cc1ccccc1 ZINC001237811023 1100256242 /nfs/dbraw/zinc/25/62/42/1100256242.db2.gz UWYJGSZULGISOX-UHFFFAOYSA-N -1 3 309.768 3.179 20 10 DGCDHM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001299479722 1104699378 /nfs/dbraw/zinc/69/93/78/1104699378.db2.gz ZGHFAPZHGRXNEJ-CQSZACIVSA-N -1 3 312.413 3.128 20 10 DGCDHM C[C@H]1CN(C)C(=O)CN1Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248885241 1105186324 /nfs/dbraw/zinc/18/63/24/1105186324.db2.gz OSGNNICWIJDXHP-NSHDSACASA-N -1 3 324.852 3.006 20 10 DGCDHM COC(=O)[C@H](C)N(C)Cc1cc(Cl)c(C(C)(C)C)cc1[O-] ZINC001248883969 1105186744 /nfs/dbraw/zinc/18/67/44/1105186744.db2.gz UVPUTRXTERXXDM-JTQLQIEISA-N -1 3 313.825 3.336 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc([C@@H]3C[C@@H]3c3ccccc3)o2)cc1O ZINC001254512033 1106087722 /nfs/dbraw/zinc/08/77/22/1106087722.db2.gz FHOUBSCHXSXEDJ-VXGBXAGGSA-N -1 3 310.309 3.125 20 10 DGCDHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3cc(O)c([O-])c(O)c3)o2)cc1 ZINC001257209504 1106551721 /nfs/dbraw/zinc/55/17/21/1106551721.db2.gz LBHOSPOSLKLPQM-QWHCGFSZSA-N -1 3 324.336 3.433 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(CCCc2ccccc2)o1 ZINC001257747335 1106626436 /nfs/dbraw/zinc/62/64/36/1106626436.db2.gz QJHRCYLQPDZLLL-UHFFFAOYSA-N -1 3 312.325 3.029 20 10 DGCDHM Cc1c(C)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1O ZINC001259090801 1107074970 /nfs/dbraw/zinc/07/49/70/1107074970.db2.gz XBGHUAIWAKYOTO-UHFFFAOYSA-N -1 3 313.325 3.088 20 10 DGCDHM Cc1cccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c1C ZINC001260999054 1107339508 /nfs/dbraw/zinc/33/95/08/1107339508.db2.gz MXDTYFHXQYNUJQ-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)c(F)c1 ZINC001321451046 1107351551 /nfs/dbraw/zinc/35/15/51/1107351551.db2.gz VPHQSQNEMXLUIG-MRVPVSSYSA-N -1 3 309.724 3.381 20 10 DGCDHM C[C@@H]1CCc2nc(CNCc3c([O-])cccc3F)sc2C1 ZINC001262375371 1107704421 /nfs/dbraw/zinc/70/44/21/1107704421.db2.gz HLHHBMUNPPIFER-SNVBAGLBSA-N -1 3 306.406 3.402 20 10 DGCDHM CC1(C)C[C@@]1(CNC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001301307790 1111087634 /nfs/dbraw/zinc/08/76/34/1111087634.db2.gz IAVPNZNIBWQUDH-LJQANCHMSA-N -1 3 311.381 3.196 20 10 DGCDHM Cc1c(Cl)ccc2c1CN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001302770740 1111125303 /nfs/dbraw/zinc/12/53/03/1111125303.db2.gz YATHDCAZERBYJR-UHFFFAOYSA-N -1 3 317.772 3.258 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1noc2ccc(F)cc12 ZINC001308494108 1111434854 /nfs/dbraw/zinc/43/48/54/1111434854.db2.gz FWHAVLMQCNJHQM-UHFFFAOYSA-N -1 3 308.259 3.241 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001308511132 1111436855 /nfs/dbraw/zinc/43/68/55/1111436855.db2.gz KHPHKCSMKPLTFB-LAUQKZGBSA-N -1 3 321.779 3.325 20 10 DGCDHM CCOC(=O)c1cc(NCc2ccc(Cl)cc2[O-])cn1C ZINC001308743838 1111469462 /nfs/dbraw/zinc/46/94/62/1111469462.db2.gz NMLAMSSPUPOUCI-UHFFFAOYSA-N -1 3 308.765 3.173 20 10 DGCDHM CCOC(=O)[C@@H](CC1CC1)NCc1cc(Cl)c(C)cc1[O-] ZINC001308927621 1111495206 /nfs/dbraw/zinc/49/52/06/1111495206.db2.gz KCEYLCJJDPIFLF-CQSZACIVSA-N -1 3 311.809 3.175 20 10 DGCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)noc1C(C)(C)C ZINC001311136659 1111585656 /nfs/dbraw/zinc/58/56/56/1111585656.db2.gz UQOXUKKTJGPDAW-UHFFFAOYSA-N -1 3 321.352 3.447 20 10 DGCDHM CCCNC(=O)CN[C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286795426 283371343 /nfs/dbraw/zinc/37/13/43/283371343.db2.gz AAYYNMZSVDRBKP-LBPRGKRZSA-N -1 3 319.232 3.266 20 10 DGCDHM C[C@@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482716 193257902 /nfs/dbraw/zinc/25/79/02/193257902.db2.gz SLONEWKVEHVKPV-SKDRFNHKSA-N -1 3 304.217 3.434 20 10 DGCDHM COc1ccc(-n2ccc(CN[C@@H](C)c3ccccc3[O-])n2)cc1 ZINC000183492583 533216209 /nfs/dbraw/zinc/21/62/09/533216209.db2.gz ZAHYCOQFWBNNPC-AWEZNQCLSA-N -1 3 323.396 3.437 20 10 DGCDHM COCC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)o1 ZINC000272240537 130012348 /nfs/dbraw/zinc/01/23/48/130012348.db2.gz GWHSDQGEXYNKBE-CQSZACIVSA-N -1 3 320.345 3.069 20 10 DGCDHM Cc1cc(CN[C@@H](C)c2cc(Br)ccc2[O-])n(C)n1 ZINC000284447787 131081773 /nfs/dbraw/zinc/08/17/73/131081773.db2.gz SIAWQHPBKZTMCJ-JTQLQIEISA-N -1 3 324.222 3.047 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289238479 131367533 /nfs/dbraw/zinc/36/75/33/131367533.db2.gz DLWJZXKUAABADK-ONGXEEELSA-N -1 3 323.742 3.038 20 10 DGCDHM COCCC1(C)CN(Cc2cc(Br)ccc2[O-])C1 ZINC000297421070 132014681 /nfs/dbraw/zinc/01/46/81/132014681.db2.gz NKJRAMXNFOIEPA-UHFFFAOYSA-N -1 3 314.223 3.013 20 10 DGCDHM Cc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)c(C)c1 ZINC000280158206 292218256 /nfs/dbraw/zinc/21/82/56/292218256.db2.gz UPPQHRJOCJFAIY-CQSZACIVSA-N -1 3 311.381 3.344 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000191256100 432240514 /nfs/dbraw/zinc/24/05/14/432240514.db2.gz FCOXRRBXMZOCPV-JTQLQIEISA-N -1 3 309.772 3.287 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCn3cccc3[C@@H]2C)c1[O-] ZINC000177236868 277105974 /nfs/dbraw/zinc/10/59/74/277105974.db2.gz JHADCXPTKPDIRQ-NSHDSACASA-N -1 3 302.349 3.112 20 10 DGCDHM Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109770513 431177195 /nfs/dbraw/zinc/17/71/95/431177195.db2.gz ZTEDLBBKZZIQFG-OAHLLOKOSA-N -1 3 312.413 3.468 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000151873906 432284554 /nfs/dbraw/zinc/28/45/54/432284554.db2.gz VFLSFXRUIRUKFM-UHFFFAOYSA-N -1 3 317.410 3.380 20 10 DGCDHM C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650602 432396399 /nfs/dbraw/zinc/39/63/99/432396399.db2.gz APWVOUJQMONQJU-PRHODGIISA-N -1 3 317.216 3.018 20 10 DGCDHM O=[N+]([O-])c1ccc([O-])c(CNC2(c3cccc(F)c3)CC2)c1 ZINC000152860693 432364111 /nfs/dbraw/zinc/36/41/11/432364111.db2.gz IKEJZADMHPKRBG-UHFFFAOYSA-N -1 3 302.305 3.218 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ncc(-c2ccccc2)o1 ZINC000193084874 432447467 /nfs/dbraw/zinc/44/74/67/432447467.db2.gz OCPVXBXAZPSBSC-LLVKDONJSA-N -1 3 324.336 3.244 20 10 DGCDHM C[C@@H](NCC1(C)OCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186212101 432570138 /nfs/dbraw/zinc/57/01/38/432570138.db2.gz PQGZXZCMVNOJQW-MRVPVSSYSA-N -1 3 306.189 3.113 20 10 DGCDHM C[C@H](N[C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000273465839 432602115 /nfs/dbraw/zinc/60/21/15/432602115.db2.gz IUJOVISOBYFWLL-LKFCYVNXSA-N -1 3 311.303 3.194 20 10 DGCDHM CN(Cc1noc(-c2ccsc2)n1)Cc1ccccc1[O-] ZINC000160876640 432746846 /nfs/dbraw/zinc/74/68/46/432746846.db2.gz KNZWXCNGMFOSCV-UHFFFAOYSA-N -1 3 301.371 3.136 20 10 DGCDHM CN(Cc1nc(-c2ccccc2F)no1)Cc1ccccc1[O-] ZINC000189107526 432763059 /nfs/dbraw/zinc/76/30/59/432763059.db2.gz QZZUTHAXEVQNEU-UHFFFAOYSA-N -1 3 313.332 3.213 20 10 DGCDHM COC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000276492604 432811520 /nfs/dbraw/zinc/81/15/20/432811520.db2.gz QKBGSALQCBUMIY-SFHVURJKSA-N -1 3 311.381 3.100 20 10 DGCDHM CCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)CC1 ZINC000277871505 432876641 /nfs/dbraw/zinc/87/66/41/432876641.db2.gz OJHRKTWYKQTLAJ-UHFFFAOYSA-N -1 3 322.792 3.000 20 10 DGCDHM C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1ccc(F)cc1[O-] ZINC000296617249 432924402 /nfs/dbraw/zinc/92/44/02/432924402.db2.gz WQNXWJONJBMBLC-MRVPVSSYSA-N -1 3 315.270 3.191 20 10 DGCDHM CCOC1(C)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000298440737 433141669 /nfs/dbraw/zinc/14/16/69/433141669.db2.gz YYXXEJVEYVXTFL-UHFFFAOYSA-N -1 3 309.381 3.125 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1[O-] ZINC000373472900 433154665 /nfs/dbraw/zinc/15/46/65/433154665.db2.gz GOLKYWPVOXPCJH-MEBBXXQBSA-N -1 3 311.809 3.054 20 10 DGCDHM CCCOc1ccc(CNCc2oc(CC)nc2C)c([O-])c1 ZINC000291884632 433383746 /nfs/dbraw/zinc/38/37/46/433383746.db2.gz XTSCRUCLPLRSIZ-UHFFFAOYSA-N -1 3 304.390 3.330 20 10 DGCDHM CCCCN(Cc1ncnn1CC(C)C)Cc1ccccc1[O-] ZINC000282354125 433577351 /nfs/dbraw/zinc/57/73/51/433577351.db2.gz CVEGMUKCHDNUFF-UHFFFAOYSA-N -1 3 316.449 3.442 20 10 DGCDHM CO[C@H]1CCN(Cc2cc(Br)ccc2[O-])[C@@H](C)C1 ZINC000282371586 433583453 /nfs/dbraw/zinc/58/34/53/433583453.db2.gz QHTDCJBPYCYUML-GWCFXTLKSA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1ccc(C(=O)N2CCC=C(c3ccccc3)C2)c([O-])c1O ZINC000375957398 433623435 /nfs/dbraw/zinc/62/34/35/433623435.db2.gz LABCUTZBYTYBEY-UHFFFAOYSA-N -1 3 309.365 3.336 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c1[O-] ZINC000293933986 433931778 /nfs/dbraw/zinc/93/17/78/433931778.db2.gz HQSWKCFHILWABN-SJORKVTESA-N -1 3 323.820 3.198 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c1[O-] ZINC000293933971 433932661 /nfs/dbraw/zinc/93/26/61/433932661.db2.gz HQSWKCFHILWABN-DLBZAZTESA-N -1 3 323.820 3.198 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1n1ccnc1 ZINC000294434595 434112287 /nfs/dbraw/zinc/11/22/87/434112287.db2.gz XNEGPKNLIXEQKY-ABAIWWIYSA-N -1 3 323.799 3.464 20 10 DGCDHM Cn1cc2c(n1)CCC[C@@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000294764490 434142284 /nfs/dbraw/zinc/14/22/84/434142284.db2.gz SILMEDSWXCROCO-ZDUSSCGKSA-N -1 3 309.772 3.085 20 10 DGCDHM CC1(C)C[C@@H](O)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295331609 434312774 /nfs/dbraw/zinc/31/27/74/434312774.db2.gz XPPDETJCTJKRAN-NSHDSACASA-N -1 3 301.789 3.168 20 10 DGCDHM Cn1cc([C@@H](NCc2cc(F)ccc2[O-])c2ccccc2)cn1 ZINC000371811966 434754062 /nfs/dbraw/zinc/75/40/62/434754062.db2.gz YWHZFDGMVDPKQO-SFHVURJKSA-N -1 3 311.360 3.144 20 10 DGCDHM CC(C)c1nnc2n1CCN(Cc1c([O-])ccc3ccccc31)C2 ZINC000371635457 434732044 /nfs/dbraw/zinc/73/20/44/434732044.db2.gz XJNULZVRMFYZRS-UHFFFAOYSA-N -1 3 322.412 3.276 20 10 DGCDHM O=C1CCCCN1[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000372412867 434823184 /nfs/dbraw/zinc/82/31/84/434823184.db2.gz AIKQPYPNPNUBPE-OAHLLOKOSA-N -1 3 322.836 3.023 20 10 DGCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CCOc3c(F)cccc32)c1 ZINC000372875355 434860243 /nfs/dbraw/zinc/86/02/43/434860243.db2.gz BDXVXUHADWDXGE-CQSZACIVSA-N -1 3 318.304 3.053 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(F)(F)C[C@H]2C)c1[O-] ZINC000528769773 435028482 /nfs/dbraw/zinc/02/84/82/435028482.db2.gz SRDXWEYTLKDFAW-SECBINFHSA-N -1 3 301.308 3.354 20 10 DGCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncccc2F)c1[O-] ZINC000528832462 435029799 /nfs/dbraw/zinc/02/97/99/435029799.db2.gz VUSJMUFLYGVSGS-VIFPVBQESA-N -1 3 306.312 3.119 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCSC[C@H]1c1ccccc1 ZINC000185665292 304549364 /nfs/dbraw/zinc/54/93/64/304549364.db2.gz STRYTUHOVFWNLO-AWEZNQCLSA-N -1 3 315.394 3.028 20 10 DGCDHM CC(C)C(=O)NC[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000124143468 519506065 /nfs/dbraw/zinc/50/60/65/519506065.db2.gz QRJPEWHIRRRBFX-CYBMUJFWSA-N -1 3 324.852 3.030 20 10 DGCDHM CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182483384 522962540 /nfs/dbraw/zinc/96/25/40/522962540.db2.gz VVYUTPAABSZDLD-CQSZACIVSA-N -1 3 300.358 3.025 20 10 DGCDHM O=C1CCCN1c1ccc(NCc2c([O-])cccc2Cl)nc1 ZINC000158952863 526979752 /nfs/dbraw/zinc/97/97/52/526979752.db2.gz KPZIHSTXMLCTBW-UHFFFAOYSA-N -1 3 317.776 3.180 20 10 DGCDHM CC(=O)Nc1cccc2c1CCN(Cc1cc(F)ccc1[O-])C2 ZINC000179967565 527085677 /nfs/dbraw/zinc/08/56/77/527085677.db2.gz QMLBWBJOHAMDLF-UHFFFAOYSA-N -1 3 314.360 3.048 20 10 DGCDHM CCN(CCc1cccs1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000272880009 535757753 /nfs/dbraw/zinc/75/77/53/535757753.db2.gz XOOPESBIUKKRON-UHFFFAOYSA-N -1 3 305.399 3.173 20 10 DGCDHM CC[C@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000274934489 535944606 /nfs/dbraw/zinc/94/46/06/535944606.db2.gz RPLAWHRNYFZNHK-LSDHHAIUSA-N -1 3 307.340 3.445 20 10 DGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1nc2ccccc2c(=O)[nH]1 ZINC000731909221 574561823 /nfs/dbraw/zinc/56/18/23/574561823.db2.gz DAMILFQWBCQHKQ-MRVPVSSYSA-N -1 3 316.338 3.021 20 10 DGCDHM Cc1ccc2c(COC(=O)c3cc([O-])cs3)cc(=O)oc2c1 ZINC000731911974 574561864 /nfs/dbraw/zinc/56/18/64/574561864.db2.gz OZOUDNVMTBQMTN-UHFFFAOYSA-N -1 3 316.334 3.226 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CCCC1 ZINC000732202920 574567773 /nfs/dbraw/zinc/56/77/73/574567773.db2.gz IQNJUOQWSXRCNI-UHFFFAOYSA-N -1 3 311.809 3.211 20 10 DGCDHM O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1cc([O-])cs1 ZINC000732277530 574570123 /nfs/dbraw/zinc/57/01/23/574570123.db2.gz JQWFQISGTDXCLQ-XJKSGUPXSA-N -1 3 317.410 3.351 20 10 DGCDHM O=C(N[C@@H](c1nccs1)c1ccccc1)c1cc([O-])cs1 ZINC000732287172 574570764 /nfs/dbraw/zinc/57/07/64/574570764.db2.gz OCQXAEFECNRWIG-CYBMUJFWSA-N -1 3 316.407 3.430 20 10 DGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)C(=O)c1ccc(F)cc1F ZINC000732353775 574572090 /nfs/dbraw/zinc/57/20/90/574572090.db2.gz VECMPQRXACWCRO-SSDOTTSWSA-N -1 3 312.293 3.160 20 10 DGCDHM O=C(OCCCOCCc1ccccc1)c1cc([O-])cs1 ZINC000732353057 574572262 /nfs/dbraw/zinc/57/22/62/574572262.db2.gz LDEPBSGXRVPYPG-UHFFFAOYSA-N -1 3 306.383 3.260 20 10 DGCDHM CC(=O)Nc1ccccc1CNCc1cc(Cl)ccc1[O-] ZINC000742376007 574994001 /nfs/dbraw/zinc/99/40/01/574994001.db2.gz YOPJOIKEIGTNKU-UHFFFAOYSA-N -1 3 304.777 3.294 20 10 DGCDHM [O-]c1ccc2oc3c(c2c1CN1C[C@H]2CC[C@@H](C1)O2)CCCC3 ZINC000744435913 575342394 /nfs/dbraw/zinc/34/23/94/575342394.db2.gz GYJUNRXHKIANIX-BETUJISGSA-N -1 3 313.397 3.380 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOc3ccccc32)c1[O-] ZINC000748050952 575558953 /nfs/dbraw/zinc/55/89/53/575558953.db2.gz IWIMEPHEIFLHID-UHFFFAOYSA-N -1 3 301.317 3.133 20 10 DGCDHM CCO[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)C12CCCCC2 ZINC000748339397 575581283 /nfs/dbraw/zinc/58/12/83/575581283.db2.gz NKVDHRUSEKSYFL-UONOGXRCSA-N -1 3 309.431 3.311 20 10 DGCDHM CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000748829509 575610409 /nfs/dbraw/zinc/61/04/09/575610409.db2.gz HQKHEYDJGOOBLJ-UHFFFAOYSA-N -1 3 312.413 3.293 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc3ccccc3s2)c([O-])c1O ZINC000751533938 575789447 /nfs/dbraw/zinc/78/94/47/575789447.db2.gz TVJOIFJRPCMUPO-UHFFFAOYSA-N -1 3 300.339 3.268 20 10 DGCDHM CC(C)(CNC(=O)NCc1c([O-])cccc1F)c1cccs1 ZINC000918761092 620724308 /nfs/dbraw/zinc/72/43/08/620724308.db2.gz FROAOYQUBMNHJD-UHFFFAOYSA-N -1 3 322.405 3.370 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840958376 618635070 /nfs/dbraw/zinc/63/50/70/618635070.db2.gz QEHOVOQHHRAPAK-SWLSCSKDSA-N -1 3 321.779 3.493 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000895422799 618783536 /nfs/dbraw/zinc/78/35/36/618783536.db2.gz OITWFUTZIWQABA-RDJZCZTQSA-N -1 3 319.351 3.368 20 10 DGCDHM Cc1cc([O-])c(CNC2(c3ncccn3)CCC2)cc1Cl ZINC000895624232 618808710 /nfs/dbraw/zinc/80/87/10/618808710.db2.gz XXFXONIGHOJSNZ-UHFFFAOYSA-N -1 3 303.793 3.313 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1nc2c(s1)CCC2 ZINC000896287471 618897079 /nfs/dbraw/zinc/89/70/79/618897079.db2.gz MPCGKMBKRKUCDQ-UHFFFAOYSA-N -1 3 312.797 3.420 20 10 DGCDHM COc1cc2c(cc1CNCc1c([O-])cccc1F)O[C@@H](C)C2 ZINC000896639242 618939814 /nfs/dbraw/zinc/93/98/14/618939814.db2.gz BJPOXHQALNVRAI-NSHDSACASA-N -1 3 317.360 3.153 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000151873135 619044736 /nfs/dbraw/zinc/04/47/36/619044736.db2.gz YIPZSADGUZDZLW-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM CCOc1ccc(C[NH2+][C@@H](CCC(C)(C)C)C(=O)[O-])c([O-])c1 ZINC000840998706 619110996 /nfs/dbraw/zinc/11/09/96/619110996.db2.gz OPYKWUAGNPKUFQ-AWEZNQCLSA-N -1 3 309.406 3.160 20 10 DGCDHM C[C@H](NCc1csc(N)n1)c1cccc(C(F)(F)F)c1[O-] ZINC000902498348 619643498 /nfs/dbraw/zinc/64/34/98/619643498.db2.gz FABWBFLADZCZCN-ZETCQYMHSA-N -1 3 317.336 3.301 20 10 DGCDHM CC[C@@H](N[C@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063016 619708582 /nfs/dbraw/zinc/70/85/82/619708582.db2.gz AXTIGQCOPZPVFJ-HIFRSBDPSA-N -1 3 306.385 3.098 20 10 DGCDHM C[C@@H](NCc1nc2c(s1)CCC2)c1cc(F)cc(F)c1[O-] ZINC000903190574 619737787 /nfs/dbraw/zinc/73/77/87/619737787.db2.gz AVGXLBDNHNSDAG-MRVPVSSYSA-N -1 3 310.369 3.466 20 10 DGCDHM C[C@H](NCc1cc(C(F)(F)F)n(C)n1)c1c([O-])cccc1F ZINC000903336439 619759948 /nfs/dbraw/zinc/75/99/48/619759948.db2.gz NZLHIJNLOGSORX-QMMMGPOBSA-N -1 3 317.286 3.134 20 10 DGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CCc2ccccc21 ZINC000855348247 620893266 /nfs/dbraw/zinc/89/32/66/620893266.db2.gz IRWYXOCKBKOURZ-UHFFFAOYSA-N -1 3 311.381 3.074 20 10 DGCDHM CS[C@@H](CNC(=O)NCc1c([O-])cccc1F)C(C)(C)C ZINC000921919518 620968435 /nfs/dbraw/zinc/96/84/35/620968435.db2.gz VSYVBGXDJDXACL-ZDUSSCGKSA-N -1 3 314.426 3.108 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCCC(F)(F)C1 ZINC000922354140 621028631 /nfs/dbraw/zinc/02/86/31/621028631.db2.gz FWBYRNHVZZLBGL-SNVBAGLBSA-N -1 3 316.323 3.156 20 10 DGCDHM C[C@H]1c2ccccc2C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923254408 621168772 /nfs/dbraw/zinc/16/87/72/621168772.db2.gz PTHQOUMHBRBSQR-MEDUHNTESA-N -1 3 314.360 3.059 20 10 DGCDHM CN(Cc1nccs1)Cc1c([O-])cccc1Br ZINC000862247919 621567203 /nfs/dbraw/zinc/56/72/03/621567203.db2.gz OFBZKWXWRIKTMM-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM Cc1ccc(CN(C)Cc2c([O-])cccc2Br)nc1 ZINC000862339754 621575500 /nfs/dbraw/zinc/57/55/00/621575500.db2.gz GMALLDWYDPXXNV-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM Cc1noc(C)c1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570311 621650049 /nfs/dbraw/zinc/65/00/49/621650049.db2.gz AMIYDXSZHNHNQK-BDAKNGLRSA-N -1 3 305.334 3.317 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(F)cc2OC)c1 ZINC000756791919 621664947 /nfs/dbraw/zinc/66/49/47/621664947.db2.gz HBNMHTWCBUMABC-SNVBAGLBSA-N -1 3 319.332 3.500 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(OC)c(F)c2)c1 ZINC000756800636 621665698 /nfs/dbraw/zinc/66/56/98/621665698.db2.gz ALHGRIOUHYXHIL-JTQLQIEISA-N -1 3 319.332 3.500 20 10 DGCDHM CC(C)(C)[C@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1O ZINC000757865408 621743739 /nfs/dbraw/zinc/74/37/39/621743739.db2.gz GBWWKERSEQOXHU-JSGCOSHPSA-N -1 3 315.816 3.414 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cccc2c1OCC[C@H]2O ZINC000766083897 622304561 /nfs/dbraw/zinc/30/45/61/622304561.db2.gz DKHIJRKEZGQMEH-OAHLLOKOSA-N -1 3 305.761 3.474 20 10 DGCDHM CC/C=C\CCN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000767325764 622390607 /nfs/dbraw/zinc/39/06/07/622390607.db2.gz XIDSYUDKDUAZNR-PLNGDYQASA-N -1 3 311.809 3.377 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC(CCO)CC1 ZINC000768236932 622447067 /nfs/dbraw/zinc/44/70/67/622447067.db2.gz MWGZRDFHFXDXRY-UHFFFAOYSA-N -1 3 304.217 3.293 20 10 DGCDHM C[C@@H](N1CCN(Cc2c([O-])cccc2Cl)CC1)C(F)(F)F ZINC000769554310 622540332 /nfs/dbraw/zinc/54/03/32/622540332.db2.gz NFVGKFQXTRFWFI-SNVBAGLBSA-N -1 3 322.758 3.114 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(Cl)c2N(C)C)c([O-])c1O ZINC000770476500 622637456 /nfs/dbraw/zinc/63/74/56/622637456.db2.gz MYJLYZOLPNONKO-UHFFFAOYSA-N -1 3 320.776 3.378 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000775674438 623311353 /nfs/dbraw/zinc/31/13/53/623311353.db2.gz ARMWVOJQXXOQMM-ZDUSSCGKSA-N -1 3 309.772 3.218 20 10 DGCDHM CC[C@H](NC(=O)c1cccc(O)c1[O-])c1cc(F)ccc1F ZINC000776661506 623449834 /nfs/dbraw/zinc/44/98/34/623449834.db2.gz QLWAKTBYMPVHSC-ZDUSSCGKSA-N -1 3 307.296 3.257 20 10 DGCDHM Cc1[nH]c2ccc(CNC(=O)c3cccc(O)c3[O-])cc2c1C ZINC000790571183 625671657 /nfs/dbraw/zinc/67/16/57/625671657.db2.gz ITOXXOMJERTRLH-UHFFFAOYSA-N -1 3 310.353 3.126 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000779143496 623734424 /nfs/dbraw/zinc/73/44/24/623734424.db2.gz JQWDKRRZWSUGGH-UHFFFAOYSA-N -1 3 323.371 3.275 20 10 DGCDHM Cc1ccnc(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC000877331844 623854794 /nfs/dbraw/zinc/85/47/94/623854794.db2.gz VNACOSJENFLJJQ-UHFFFAOYSA-N -1 3 319.355 3.148 20 10 DGCDHM CSC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000877663578 623983320 /nfs/dbraw/zinc/98/33/20/623983320.db2.gz VFGPPMYKQTXTED-UHFFFAOYSA-N -1 3 316.810 3.281 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(C)s1 ZINC000780838252 623989120 /nfs/dbraw/zinc/98/91/20/623989120.db2.gz SBOWGZPWFKESNU-UHFFFAOYSA-N -1 3 301.364 3.010 20 10 DGCDHM Cn1cc(C(F)F)c(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000877733218 624007860 /nfs/dbraw/zinc/00/78/60/624007860.db2.gz PHSQHHIUBGBZFD-UHFFFAOYSA-N -1 3 319.714 3.146 20 10 DGCDHM COc1ccccc1[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC000877754854 624021013 /nfs/dbraw/zinc/02/10/13/624021013.db2.gz VHOVCSPGTIMTGD-GOSISDBHSA-N -1 3 317.360 3.113 20 10 DGCDHM CC(C)CC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000877774877 624032474 /nfs/dbraw/zinc/03/24/74/624032474.db2.gz PITAUBGJHVPTNR-UHFFFAOYSA-N -1 3 324.852 3.126 20 10 DGCDHM CCc1nn(C)cc1NCc1cc(C)cc(Br)c1[O-] ZINC000781637326 624111730 /nfs/dbraw/zinc/11/17/30/624111730.db2.gz BRYDWNUSDMDENM-UHFFFAOYSA-N -1 3 324.222 3.371 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](C)[C@@H](C)O1 ZINC000783738883 624389955 /nfs/dbraw/zinc/38/99/55/624389955.db2.gz YHKIJZVYMDOLOE-OUAUKWLOSA-N -1 3 314.223 3.152 20 10 DGCDHM COc1nc(C)cc(C)c1CNCc1c([O-])ccc(Cl)c1F ZINC000790955101 625721802 /nfs/dbraw/zinc/72/18/02/625721802.db2.gz JNIGCEWILZHUCW-UHFFFAOYSA-N -1 3 324.783 3.495 20 10 DGCDHM Cc1ccccc1[C@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000790970158 625725590 /nfs/dbraw/zinc/72/55/90/625725590.db2.gz BDDMSKLJCGAMBR-AWEZNQCLSA-N -1 3 309.768 3.316 20 10 DGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CC[C@H]1C(F)(F)F ZINC000791125549 625752653 /nfs/dbraw/zinc/75/26/53/625752653.db2.gz GIZTXFVVDTWLGL-LLVKDONJSA-N -1 3 317.307 3.148 20 10 DGCDHM CC[C@@H]1CO[C@@H](C)CN1Cc1cc(Br)ccc1[O-] ZINC000131503137 626646148 /nfs/dbraw/zinc/64/61/48/626646148.db2.gz XANRBDOJSYMPJW-GXFFZTMASA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@H](c1ccccc1OC)N(C)C(=O)c1cccc(O)c1[O-] ZINC000807860652 626772997 /nfs/dbraw/zinc/77/29/97/626772997.db2.gz CSMFNPHKNDAKKU-CQSZACIVSA-N -1 3 315.369 3.330 20 10 DGCDHM CCNC(=O)c1cccc(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886514636 627155577 /nfs/dbraw/zinc/15/55/77/627155577.db2.gz VFEMGCNXPNHHGT-LBPRGKRZSA-N -1 3 316.376 3.132 20 10 DGCDHM C[C@@H](NCc1cccc2c1OCCO2)c1c([O-])cccc1F ZINC000886548023 627160696 /nfs/dbraw/zinc/16/06/96/627160696.db2.gz WGQVHVCZNNSHPX-LLVKDONJSA-N -1 3 303.333 3.153 20 10 DGCDHM Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccc(O)c1[O-] ZINC000813523598 627496150 /nfs/dbraw/zinc/49/61/50/627496150.db2.gz USWYVAHZTHEWQB-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM CNC(=O)Oc1cccc(NCc2c([O-])cccc2Cl)c1 ZINC000813791253 627512306 /nfs/dbraw/zinc/51/23/06/627512306.db2.gz AKYXXKHFWZQHEF-UHFFFAOYSA-N -1 3 306.749 3.376 20 10 DGCDHM C[C@H](c1ccc(F)cc1[O-])N1CCOc2ccc(N)cc2C1 ZINC000925753225 627788182 /nfs/dbraw/zinc/78/81/82/627788182.db2.gz FDSXCCRAHABFIS-LLVKDONJSA-N -1 3 302.349 3.069 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(c2cn[nH]c2)CC1 ZINC000816495267 627796857 /nfs/dbraw/zinc/79/68/57/627796857.db2.gz QKRJCPFEEJKCMN-UHFFFAOYSA-N -1 3 309.772 3.287 20 10 DGCDHM Cc1ccc(CN(CCO)Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816596412 627812856 /nfs/dbraw/zinc/81/28/56/627812856.db2.gz ATWHGQDAPDLJEL-UHFFFAOYSA-N -1 3 313.756 3.081 20 10 DGCDHM CC1(C)CN(Cc2cc(F)ccc2[O-])C[C@](C)(C(F)(F)F)O1 ZINC000816643127 627819307 /nfs/dbraw/zinc/81/93/07/627819307.db2.gz WAFLDOGEQBLFTE-CQSZACIVSA-N -1 3 321.314 3.463 20 10 DGCDHM COC(=O)c1cnc([C@H](C)N[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000818355875 628018016 /nfs/dbraw/zinc/01/80/16/628018016.db2.gz KJRJERYOXDVQRX-IUCAKERBSA-N -1 3 324.377 3.186 20 10 DGCDHM COc1ccc(C[C@H](C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC000928704811 628179705 /nfs/dbraw/zinc/17/97/05/628179705.db2.gz DJQHZMLFIOCILK-LBPRGKRZSA-N -1 3 317.360 3.035 20 10 DGCDHM CC(C)(C)c1nc(CC(=O)NCc2c([O-])cccc2F)cs1 ZINC000928710335 628179947 /nfs/dbraw/zinc/17/99/47/628179947.db2.gz BQKPPFVQAXNJIX-UHFFFAOYSA-N -1 3 322.405 3.144 20 10 DGCDHM CC[C@H](C(=O)NCc1c([O-])cccc1F)c1ccc(OC)cc1 ZINC000928708999 628180076 /nfs/dbraw/zinc/18/00/76/628180076.db2.gz VAFHRELJXQZFEI-AWEZNQCLSA-N -1 3 317.360 3.350 20 10 DGCDHM Cc1cc([O-])c(CN2CCn3c(nnc3C(C)C)C2)cc1Cl ZINC000824748161 628689567 /nfs/dbraw/zinc/68/95/67/628689567.db2.gz ISIKCORTRZNKTM-UHFFFAOYSA-N -1 3 320.824 3.085 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2ncc(Cl)n2C)cc1Cl ZINC000825447501 628762564 /nfs/dbraw/zinc/76/25/64/628762564.db2.gz VLJYCZNHSFZGCI-UHFFFAOYSA-N -1 3 314.216 3.373 20 10 DGCDHM CCCN(Cc1ccccc1O)C(=O)Cc1ccc([O-])c(F)c1 ZINC000825678913 628784930 /nfs/dbraw/zinc/78/49/30/628784930.db2.gz KHSUTLZNOFUBMM-UHFFFAOYSA-N -1 3 317.360 3.218 20 10 DGCDHM Cc1cc([O-])c(CNCc2nccc(C(F)F)n2)cc1Cl ZINC000825940287 628812050 /nfs/dbraw/zinc/81/20/50/628812050.db2.gz RTOWVARGEWZBON-UHFFFAOYSA-N -1 3 313.735 3.371 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1CC2(CC(F)C2)C1 ZINC000826114141 628829510 /nfs/dbraw/zinc/82/95/10/628829510.db2.gz VNZGCTBUZCHTQE-UHFFFAOYSA-N -1 3 300.171 3.089 20 10 DGCDHM Cc1cc(O)c(CNc2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000826271796 628838019 /nfs/dbraw/zinc/83/80/19/628838019.db2.gz HTOIHIBPPRDFOM-UHFFFAOYSA-N -1 3 309.373 3.110 20 10 DGCDHM Cc1cc(O)c(CNc2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000826271796 628838020 /nfs/dbraw/zinc/83/80/20/628838020.db2.gz HTOIHIBPPRDFOM-UHFFFAOYSA-N -1 3 309.373 3.110 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)CO ZINC000827699458 628983790 /nfs/dbraw/zinc/98/37/90/628983790.db2.gz HQHNBKZJAYBOKB-OTYXRUKQSA-N -1 3 304.217 3.149 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@]1(C)CO ZINC000827699457 628984000 /nfs/dbraw/zinc/98/40/00/628984000.db2.gz HQHNBKZJAYBOKB-LKFCYVNXSA-N -1 3 304.217 3.149 20 10 DGCDHM CCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(O)c1 ZINC000827909896 629002672 /nfs/dbraw/zinc/00/26/72/629002672.db2.gz YTFYFKDBUWRYBT-UHFFFAOYSA-N -1 3 318.329 3.041 20 10 DGCDHM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000833553397 629620400 /nfs/dbraw/zinc/62/04/00/629620400.db2.gz CVULVPZDFIZPSF-IBGZPJMESA-N -1 3 311.381 3.356 20 10 DGCDHM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000833553397 629620404 /nfs/dbraw/zinc/62/04/04/629620404.db2.gz CVULVPZDFIZPSF-IBGZPJMESA-N -1 3 311.381 3.356 20 10 DGCDHM COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccc(C(=O)[O-])o2)c1 ZINC000833733812 629644103 /nfs/dbraw/zinc/64/41/03/629644103.db2.gz RIDQRZUBHPJOPE-UWVGGRQHSA-N -1 3 305.330 3.104 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1nnc(C2CC2)s1 ZINC000840973025 630389380 /nfs/dbraw/zinc/38/93/80/630389380.db2.gz BVFLQMICGGEEEY-UHFFFAOYSA-N -1 3 313.785 3.203 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCc2cc(Cl)nnc2C1 ZINC000843418087 630655089 /nfs/dbraw/zinc/65/50/89/630655089.db2.gz HTYOSVJWYULQHT-UHFFFAOYSA-N -1 3 310.184 3.047 20 10 DGCDHM [O-]c1c(Cl)cccc1CN[C@H](CCO)c1ccccc1F ZINC000843429323 630657371 /nfs/dbraw/zinc/65/73/71/630657371.db2.gz ARAVBRWNZMGSFT-OAHLLOKOSA-N -1 3 309.768 3.398 20 10 DGCDHM CC1(C)CCC[C@H]1[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844033596 630707339 /nfs/dbraw/zinc/70/73/39/630707339.db2.gz PTWGKVAKJZDJHL-JSGCOSHPSA-N -1 3 303.402 3.386 20 10 DGCDHM C[C@@H](O)[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182958 631213772 /nfs/dbraw/zinc/21/37/72/631213772.db2.gz MLNQALDGMLFLKU-RVPKQNPDSA-N -1 3 307.340 3.443 20 10 DGCDHM CN(C)c1ccc(CN2CCc3cccc(C(=O)[O-])c3C2)cc1 ZINC000846276602 631218648 /nfs/dbraw/zinc/21/86/48/631218648.db2.gz WSTUONFWWIGVEE-UHFFFAOYSA-N -1 3 310.397 3.009 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](OC3CCC3)C2)c1[O-] ZINC000847038625 631387673 /nfs/dbraw/zinc/38/76/73/631387673.db2.gz USWMAJBTYJKHOP-INIZCTEOSA-N -1 3 321.392 3.267 20 10 DGCDHM C[C@H](O)[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421572 632147772 /nfs/dbraw/zinc/14/77/72/632147772.db2.gz YTUDSRGPXOKKBV-QFYYESIMSA-N -1 3 309.768 3.396 20 10 DGCDHM CC[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498829 632172559 /nfs/dbraw/zinc/17/25/59/632172559.db2.gz DQCRJYSSLHXFCY-TVYUQYBPSA-N -1 3 306.797 3.384 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2cscn2)c1 ZINC000850511335 632175481 /nfs/dbraw/zinc/17/54/81/632175481.db2.gz CHLFDHNLUMEDBN-UWVGGRQHSA-N -1 3 306.387 3.047 20 10 DGCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000708351417 660920242 /nfs/dbraw/zinc/92/02/42/660920242.db2.gz XQCQPQMPBCZSGM-GXFFZTMASA-N -1 3 314.223 3.154 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](OCCC(C)C)C2)c1[O-] ZINC000177384077 655923437 /nfs/dbraw/zinc/92/34/37/655923437.db2.gz IMWZWIKROCWXLX-MRXNPFEDSA-N -1 3 323.408 3.371 20 10 DGCDHM Cc1cc(C)n(-c2ccccc2NC(=O)c2cccc(O)c2[O-])n1 ZINC000188161767 656143897 /nfs/dbraw/zinc/14/38/97/656143897.db2.gz OYMFYYLSZBIWFE-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(O)c1[O-] ZINC000188155030 656143948 /nfs/dbraw/zinc/14/39/48/656143948.db2.gz AVMLMVUXBCOSOV-UHFFFAOYSA-N -1 3 310.353 3.022 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(CC(F)(F)F)C2CC2)c1[O-] ZINC000042776184 658798904 /nfs/dbraw/zinc/79/89/04/658798904.db2.gz QXEORVVSHGYONS-UHFFFAOYSA-N -1 3 305.271 3.261 20 10 DGCDHM COc1c(C)ccc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000181948930 660027856 /nfs/dbraw/zinc/02/78/56/660027856.db2.gz DODIYFGIOURATD-UHFFFAOYSA-N -1 3 301.342 3.284 20 10 DGCDHM C[C@H](C1CC1)n1nccc1NC(=O)NCc1c([O-])cccc1F ZINC000930919144 661438698 /nfs/dbraw/zinc/43/86/98/661438698.db2.gz HUVRSXOKWBATMH-SNVBAGLBSA-N -1 3 318.352 3.021 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)C2(C(F)(F)F)CC2)c1[O-] ZINC000932301086 661557481 /nfs/dbraw/zinc/55/74/81/661557481.db2.gz JFXGXVKYHQCPAT-UHFFFAOYSA-N -1 3 305.271 3.261 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ccccc2O)CC1 ZINC000158534556 661873976 /nfs/dbraw/zinc/87/39/76/661873976.db2.gz SAXDKFLZSDKQCP-UHFFFAOYSA-N -1 3 318.804 3.073 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000188267901 661923146 /nfs/dbraw/zinc/92/31/46/661923146.db2.gz GYCWXSOKEAJBIX-GFCCVEGCSA-N -1 3 310.353 3.193 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000189425417 661977847 /nfs/dbraw/zinc/97/78/47/661977847.db2.gz YFDNUJJZRBFMHD-UHFFFAOYSA-N -1 3 309.362 3.203 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)O1 ZINC000245559172 662236054 /nfs/dbraw/zinc/23/60/54/662236054.db2.gz LJWNGPQPPDATNA-ZWNOBZJWSA-N -1 3 314.223 3.154 20 10 DGCDHM CC1(C)CN(Cc2cccc(Br)c2[O-])CCS1 ZINC000093504485 662355948 /nfs/dbraw/zinc/35/59/48/662355948.db2.gz NENGNCCTJCDPSB-UHFFFAOYSA-N -1 3 316.264 3.482 20 10 DGCDHM CCC[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000093508409 662356080 /nfs/dbraw/zinc/35/60/80/662356080.db2.gz GJDZUQVPRQACDP-ZDUSSCGKSA-N -1 3 314.223 3.156 20 10 DGCDHM COc1ccc(NCc2cc(C)cc(Br)c2[O-])cn1 ZINC001620854415 1192461146 /nfs/dbraw/zinc/46/11/46/1192461146.db2.gz FWUFTIQMXQBUOW-UHFFFAOYSA-N -1 3 323.190 3.479 20 10 DGCDHM Cc1cc(N(C)C)ccc1CNCc1csc(C(=O)[O-])c1 ZINC001600236481 1192816417 /nfs/dbraw/zinc/81/64/17/1192816417.db2.gz WSMXZJXLEVDVHI-UHFFFAOYSA-N -1 3 304.415 3.111 20 10 DGCDHM O=C(NCc1cc(Cl)c2cccnc2c1[O-])NC1CCCC1 ZINC001185910716 1177827899 /nfs/dbraw/zinc/82/78/99/1177827899.db2.gz ZSOGWQMZHYWQQU-UHFFFAOYSA-N -1 3 319.792 3.336 20 10 DGCDHM O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC001602059345 1192957571 /nfs/dbraw/zinc/95/75/71/1192957571.db2.gz NDIIQZLONUGTFN-UHFFFAOYSA-N -1 3 323.751 3.272 20 10 DGCDHM O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(F)ccc1[O-] ZINC001602059345 1192957574 /nfs/dbraw/zinc/95/75/74/1192957574.db2.gz NDIIQZLONUGTFN-UHFFFAOYSA-N -1 3 323.751 3.272 20 10 DGCDHM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cccc(O)c1[O-] ZINC001441480416 1182064450 /nfs/dbraw/zinc/06/44/50/1182064450.db2.gz KCYXOPYLMCVPBB-ZDUSSCGKSA-N -1 3 315.369 3.443 20 10 DGCDHM CCCC[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccnc1 ZINC001605278290 1193139769 /nfs/dbraw/zinc/13/97/69/1193139769.db2.gz XUARASYENLSNAL-KRWDZBQOSA-N -1 3 314.385 3.215 20 10 DGCDHM CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccnc1 ZINC001605278290 1193139773 /nfs/dbraw/zinc/13/97/73/1193139773.db2.gz XUARASYENLSNAL-KRWDZBQOSA-N -1 3 314.385 3.215 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1sccc1-n1cccc1 ZINC001456082587 1182397247 /nfs/dbraw/zinc/39/72/47/1182397247.db2.gz AZJLWDOXKRXCKG-UHFFFAOYSA-N -1 3 316.357 3.314 20 10 DGCDHM Cc1ccc(C(=O)NCc2c(O)ccc3ccccc32)c([O-])c1 ZINC001456312194 1182409851 /nfs/dbraw/zinc/40/98/51/1182409851.db2.gz ZZSQLTGCCCNAGX-UHFFFAOYSA-N -1 3 307.349 3.489 20 10 DGCDHM CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001605690666 1193164388 /nfs/dbraw/zinc/16/43/88/1193164388.db2.gz MXVGHUYWIPCSOL-CQSZACIVSA-N -1 3 321.417 3.114 20 10 DGCDHM CCOc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c([O-])c1 ZINC001605690666 1193164390 /nfs/dbraw/zinc/16/43/90/1193164390.db2.gz MXVGHUYWIPCSOL-CQSZACIVSA-N -1 3 321.417 3.114 20 10 DGCDHM C[C@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001462556588 1182969156 /nfs/dbraw/zinc/96/91/56/1182969156.db2.gz UYECWLQTQIEYGU-VIFPVBQESA-N -1 3 308.284 3.429 20 10 DGCDHM Cc1nc2ccccc2cc1C(=O)NCc1c([O-])cccc1F ZINC001471976028 1183604146 /nfs/dbraw/zinc/60/41/46/1183604146.db2.gz PRPMCPQXYCNJCU-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM Cc1ccc(O)c(CNCc2cc(C(=O)[O-])ccc2Cl)c1 ZINC001607811359 1193259545 /nfs/dbraw/zinc/25/95/45/1193259545.db2.gz JCWFXGDJRIZLLN-UHFFFAOYSA-N -1 3 305.761 3.342 20 10 DGCDHM O=C(NCc1ccc2occc2c1)NCc1c([O-])cccc1F ZINC001478942259 1184188876 /nfs/dbraw/zinc/18/88/76/1184188876.db2.gz XJQSXHMRYBQZDH-UHFFFAOYSA-N -1 3 314.316 3.277 20 10 DGCDHM C[C@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833673 1193359216 /nfs/dbraw/zinc/35/92/16/1193359216.db2.gz LSQYKYHAYUGHEQ-GUYCJALGSA-N -1 3 311.381 3.354 20 10 DGCDHM C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833673 1193359219 /nfs/dbraw/zinc/35/92/19/1193359219.db2.gz LSQYKYHAYUGHEQ-GUYCJALGSA-N -1 3 311.381 3.354 20 10 DGCDHM C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833677 1193359415 /nfs/dbraw/zinc/35/94/15/1193359415.db2.gz LSQYKYHAYUGHEQ-SUMWQHHRSA-N -1 3 311.381 3.354 20 10 DGCDHM C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833677 1193359418 /nfs/dbraw/zinc/35/94/18/1193359418.db2.gz LSQYKYHAYUGHEQ-SUMWQHHRSA-N -1 3 311.381 3.354 20 10 DGCDHM COC1CCC(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001610234700 1193379494 /nfs/dbraw/zinc/37/94/94/1193379494.db2.gz QJYZUJMVYSNHBO-OPFPJEHXSA-N -1 3 321.417 3.336 20 10 DGCDHM Cc1ccc([C@@H]([NH2+]Cc2cc(F)ccc2[O-])C(=O)[O-])cc1C ZINC001610495662 1193393300 /nfs/dbraw/zinc/39/33/00/1193393300.db2.gz RMUMPVPGDIAMEE-MRXNPFEDSA-N -1 3 303.333 3.064 20 10 DGCDHM COC(=O)CN(CCC1CCC1)Cc1cc(Cl)ccc1[O-] ZINC001615935607 1193531225 /nfs/dbraw/zinc/53/12/25/1193531225.db2.gz QYSWNEPVGVCQFC-UHFFFAOYSA-N -1 3 311.809 3.211 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCSc2ccccc21 ZINC001542586547 1188289642 /nfs/dbraw/zinc/28/96/42/1188289642.db2.gz RLUHRCKGQBMOAP-UHFFFAOYSA-N -1 3 301.367 3.240 20 10 DGCDHM Cc1cccc2c1N(C1CC1)CCN2C(=O)c1cccc(O)c1[O-] ZINC001556244526 1188991665 /nfs/dbraw/zinc/99/16/65/1188991665.db2.gz ISICIMZYNRGZHU-UHFFFAOYSA-N -1 3 324.380 3.035 20 10 DGCDHM Cc1ccc(C2(CNC(=O)c3cccc(O)c3[O-])CC2)c(C)c1 ZINC001556791442 1189020895 /nfs/dbraw/zinc/02/08/95/1189020895.db2.gz PHZPKPQSQIEQQH-UHFFFAOYSA-N -1 3 311.381 3.176 20 10 DGCDHM Cc1ccc(CCC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001558454233 1189126400 /nfs/dbraw/zinc/12/64/00/1189126400.db2.gz BZUQLINHQKNXDT-UHFFFAOYSA-N -1 3 301.361 3.397 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccsc1C(F)F ZINC001558456823 1189126527 /nfs/dbraw/zinc/12/65/27/1189126527.db2.gz FTSNHUIJPIAZMT-UHFFFAOYSA-N -1 3 301.289 3.460 20 10 DGCDHM CON(Cc1ccc(C)o1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC001560158054 1189285046 /nfs/dbraw/zinc/28/50/46/1189285046.db2.gz AAGDSMPQJKMSIH-UHFFFAOYSA-N -1 3 307.321 3.199 20 10 DGCDHM CC1(C)CCCc2sc(NC(=O)c3cccc(O)c3[O-])nc21 ZINC001629153081 1194216491 /nfs/dbraw/zinc/21/64/91/1194216491.db2.gz PWPNJAZYLYJZSC-UHFFFAOYSA-N -1 3 318.398 3.421 20 10 DGCDHM Cc1c[nH]c(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)n1 ZINC001631480384 1194337240 /nfs/dbraw/zinc/33/72/40/1194337240.db2.gz GZLXWUFAFWHIMQ-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cccc(O)c1[O-] ZINC001631953744 1194363875 /nfs/dbraw/zinc/36/38/75/1194363875.db2.gz HVAVAACVYXSOIL-GHMZBOCLSA-N -1 3 315.344 3.385 20 10 DGCDHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1ccc(F)c(F)c1 ZINC001634983100 1194526383 /nfs/dbraw/zinc/52/63/83/1194526383.db2.gz PMXQETNAJWDLGB-UHFFFAOYSA-N -1 3 307.296 3.041 20 10 DGCDHM O=C(CCOc1cccc(Cl)c1)NCc1c([O-])cccc1F ZINC001645048286 1195152451 /nfs/dbraw/zinc/15/24/51/1195152451.db2.gz OFEVYGQVYFSQTM-UHFFFAOYSA-N -1 3 323.751 3.270 20 10 DGCDHM CC(C)(C)c1csc(C(=O)NCc2c([O-])cccc2F)n1 ZINC001645051119 1195153030 /nfs/dbraw/zinc/15/30/30/1195153030.db2.gz WXTCEKQLKUGOJX-UHFFFAOYSA-N -1 3 308.378 3.215 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1(c2ccccc2F)CC1 ZINC001646035516 1195211458 /nfs/dbraw/zinc/21/14/58/1195211458.db2.gz XOYKUOIQYKPYKH-UHFFFAOYSA-N -1 3 303.308 3.018 20 10 DGCDHM Cc1cc(CC(=O)[N-]OCC(C)C)c(C)n1-c1ccccc1 ZINC001648676237 1195321766 /nfs/dbraw/zinc/32/17/66/1195321766.db2.gz JFGOTFOJQLWBMZ-UHFFFAOYSA-N -1 3 300.402 3.340 20 10 DGCDHM Cn1cc(NCc2c([O-])cccc2Cl)c(Br)n1 ZINC001651299817 1195440581 /nfs/dbraw/zinc/44/05/81/1195440581.db2.gz MTEVXQGJDICAEK-UHFFFAOYSA-N -1 3 316.586 3.154 20 10 DGCDHM CO[C@H]1Cc2ccc(NCc3cc(F)c(F)cc3[O-])cc2C1 ZINC001652186934 1195559495 /nfs/dbraw/zinc/55/94/95/1195559495.db2.gz KPPZOTGPBJHFJE-AWEZNQCLSA-N -1 3 305.324 3.396 20 10 DGCDHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)C(=O)c1ccccc1 ZINC001652297935 1195576523 /nfs/dbraw/zinc/57/65/23/1195576523.db2.gz CCCUAJDKBWOXAP-LBPRGKRZSA-N -1 3 315.344 3.057 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@]1(F)c1ccccc1 ZINC001652298716 1195578253 /nfs/dbraw/zinc/57/82/53/1195578253.db2.gz OLLHHNXSZJTJSD-DYVFJYSZSA-N -1 3 303.308 3.032 20 10 DGCDHM CC(C)Oc1nc(NCc2c([O-])cccc2F)ccc1[N+](=O)[O-] ZINC001655875310 1195972235 /nfs/dbraw/zinc/97/22/35/1195972235.db2.gz CHYSDRWNVAKQEW-UHFFFAOYSA-N -1 3 321.308 3.234 20 10 DGCDHM CN(Cc1cc(F)cc(F)c1[O-])Cc1ccccc1[N+](=O)[O-] ZINC001657293570 1196128032 /nfs/dbraw/zinc/12/80/32/1196128032.db2.gz LZFBHKWDKZPNBV-UHFFFAOYSA-N -1 3 308.284 3.211 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCN(Cc2cccs2)CC1 ZINC001657626487 1196161567 /nfs/dbraw/zinc/16/15/67/1196161567.db2.gz YOVKKBAYBRQSJB-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM COCCN(Cc1cccs1)Cc1cc(F)c(F)cc1[O-] ZINC001657625760 1196161771 /nfs/dbraw/zinc/16/17/71/1196161771.db2.gz MANFQOHMALPJHG-UHFFFAOYSA-N -1 3 313.369 3.381 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1ccc2c(n1)CCCC2 ZINC001657920940 1196194103 /nfs/dbraw/zinc/19/41/03/1196194103.db2.gz MXZOOWCPHLUYNR-UHFFFAOYSA-N -1 3 304.340 3.234 20 10 DGCDHM COc1ccnc(CNCc2cc(Cl)c(F)cc2[O-])c1F ZINC001658579700 1196275230 /nfs/dbraw/zinc/27/52/30/1196275230.db2.gz MXNVSDFVWRVDDH-UHFFFAOYSA-N -1 3 314.719 3.017 20 10 DGCDHM C[C@@H](O)[C@@H](NCc1cc(F)c(F)cc1[O-])c1ccccc1F ZINC001659585949 1196398155 /nfs/dbraw/zinc/39/81/55/1196398155.db2.gz FYMDOMFYAUCWPE-JDNHERCYSA-N -1 3 311.303 3.021 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc2c1OCCCO2 ZINC001660554565 1196496368 /nfs/dbraw/zinc/49/63/68/1196496368.db2.gz BQVNOENHFFMNKP-UHFFFAOYSA-N -1 3 307.296 3.444 20 10 DGCDHM O=C1CN(Cc2ccc3ccccc3c2[O-])Cc2ccccc2N1 ZINC001665102722 1197098122 /nfs/dbraw/zinc/09/81/22/1197098122.db2.gz XCXWFSLLLYEMFX-UHFFFAOYSA-N -1 3 318.376 3.500 20 10 DGCDHM Cc1cc([N+](=O)[O-])ccc1NC(=O)NCc1c([O-])cccc1F ZINC001669071326 1197439479 /nfs/dbraw/zinc/43/94/79/1197439479.db2.gz UNJVIYVBZCXLGY-UHFFFAOYSA-N -1 3 319.292 3.070 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001672237798 1197599889 /nfs/dbraw/zinc/59/98/89/1197599889.db2.gz KLTNVBCHOWAJMW-SWLSCSKDSA-N -1 3 318.323 3.026 20 10 DGCDHM C[C@]1(c2ccccc2)C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001679796952 1198825036 /nfs/dbraw/zinc/82/50/36/1198825036.db2.gz GYNBFAHDCTVRNC-SJLPKXTDSA-N -1 3 314.360 3.061 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CC2CCC1CC2 ZINC001686863621 1199595275 /nfs/dbraw/zinc/59/52/75/1199595275.db2.gz RSQHKDAKYHIQCH-WXRRBKDZSA-N -1 3 306.381 3.157 20 10 DGCDHM CCCCC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])C(=O)[O-] ZINC001595683217 982170235 /nfs/dbraw/zinc/17/02/35/982170235.db2.gz NBYJZKCZXYBUTN-LBPRGKRZSA-N -1 3 315.797 3.177 20 10 DGCDHM CCN(CC)c1ccc(CNCc2cc(C)c(C(=O)[O-])[nH]2)cc1 ZINC001596288005 983707453 /nfs/dbraw/zinc/70/74/53/983707453.db2.gz DQGMTAUMZMMULM-UHFFFAOYSA-N -1 3 315.417 3.157 20 10 DGCDHM CC(C)N(Cc1occc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001591596790 992825243 /nfs/dbraw/zinc/82/52/43/992825243.db2.gz PPJWXEJBUGKWME-UHFFFAOYSA-N -1 3 316.401 3.454 20 10 DGCDHM C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593218478 994285767 /nfs/dbraw/zinc/28/57/67/994285767.db2.gz GKFHVWOFOPTABV-MJEQTWJJSA-N -1 3 311.381 3.372 20 10 DGCDHM C[C@H]([NH2+]CCc1ccccc1F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273705 994620879 /nfs/dbraw/zinc/62/08/79/994620879.db2.gz GDRJMHAZSNYMTB-NSHDSACASA-N -1 3 303.333 3.123 20 10 DGCDHM CCN1CCN(Cc2c([O-])ccc(Cl)c2Cl)[C@H](C)C1 ZINC001237087142 1099963541 /nfs/dbraw/zinc/96/35/41/1099963541.db2.gz UTIGWJNWCWQDQL-SNVBAGLBSA-N -1 3 303.233 3.225 20 10 DGCDHM [O-]c1c(Br)cccc1CN1CCC(F)(F)CC1 ZINC000404786200 1082733137 /nfs/dbraw/zinc/73/31/37/1082733137.db2.gz MBPIGGFGBOUVJB-UHFFFAOYSA-N -1 3 306.150 3.386 20 10 DGCDHM C/C=C/C[C@@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001181457990 1083470642 /nfs/dbraw/zinc/47/06/42/1083470642.db2.gz SNRLGQZPEZWUBW-YVARQFDVSA-N -1 3 311.809 3.342 20 10 DGCDHM CC1(C)CC[C@H](CO)N(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001183512146 1083965710 /nfs/dbraw/zinc/96/57/10/1083965710.db2.gz YXKWDGCAJLRSKA-GFCCVEGCSA-N -1 3 301.789 3.168 20 10 DGCDHM [O-]c1cc(Cl)ccc1CNCC(F)(F)C1(O)CCCCC1 ZINC001184277647 1084149371 /nfs/dbraw/zinc/14/93/71/1084149371.db2.gz LFWLLUBQPVDHTD-UHFFFAOYSA-N -1 3 319.779 3.466 20 10 DGCDHM CC1(C)[C@@H]2CN(Cc3c([O-])cc(Br)cc3F)C[C@@H]21 ZINC001233032174 1087646143 /nfs/dbraw/zinc/64/61/43/1087646143.db2.gz VMWXWMKBWHKZEI-PHIMTYICSA-N -1 3 314.198 3.382 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@](C)(C(F)F)O1 ZINC000698930095 1087708845 /nfs/dbraw/zinc/70/88/45/1087708845.db2.gz YRDBZNBOBKENDQ-YMTOWFKASA-N -1 3 305.752 3.290 20 10 DGCDHM Cc1cnc(OC(C)C)c(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC001159218520 1088238453 /nfs/dbraw/zinc/23/84/53/1088238453.db2.gz HUOYKALXTXTZGW-UHFFFAOYSA-N -1 3 316.357 3.149 20 10 DGCDHM O=C(C[C@H]1CCc2ccccc2C1)NCc1c([O-])cccc1F ZINC001156170507 1089416151 /nfs/dbraw/zinc/41/61/51/1089416151.db2.gz OMXPMLJDPNQHKZ-ZDUSSCGKSA-N -1 3 313.372 3.343 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])CC[C@]1(C)O ZINC001236792621 1089863321 /nfs/dbraw/zinc/86/33/21/1089863321.db2.gz GEJONENKFSAQHU-OTYXRUKQSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCc2cnccc2C1 ZINC001203636230 1090771379 /nfs/dbraw/zinc/77/13/79/1090771379.db2.gz QHISITUSFVSEPZ-UHFFFAOYSA-N -1 3 319.202 3.108 20 10 DGCDHM Cc1cccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC001203648858 1090772569 /nfs/dbraw/zinc/77/25/69/1090772569.db2.gz YAYFAGFSMWWAHV-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM CCOC(=O)CN(Cc1cc(Cl)c(F)cc1[O-])CC(C)C ZINC001204187939 1090916884 /nfs/dbraw/zinc/91/68/84/1090916884.db2.gz LUQGMIKFCDJEPL-UHFFFAOYSA-N -1 3 317.788 3.206 20 10 DGCDHM CN(C)c1ccccc1CN(C)Cc1cc(F)cc(F)c1[O-] ZINC001206077944 1091481342 /nfs/dbraw/zinc/48/13/42/1091481342.db2.gz QJLBSTNRANXBTN-UHFFFAOYSA-N -1 3 306.356 3.368 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1ccc(N2CCCC2)cn1 ZINC001206376554 1091604690 /nfs/dbraw/zinc/60/46/90/1091604690.db2.gz IXEJBUSBEUTVLW-UHFFFAOYSA-N -1 3 305.328 3.278 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CCC(c2ccccn2)CC1 ZINC001139682664 1091641631 /nfs/dbraw/zinc/64/16/31/1091641631.db2.gz APZCONBCQWCVSZ-UHFFFAOYSA-N -1 3 304.340 3.445 20 10 DGCDHM CN1CCN(Cc2c(F)ccc(F)c2[O-])C[C@@H]1c1ccccc1 ZINC001139685398 1091641755 /nfs/dbraw/zinc/64/17/55/1091641755.db2.gz XZUQUFPLCUOEFZ-QGZVFWFLSA-N -1 3 318.367 3.159 20 10 DGCDHM Cc1cnccc1O[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139689765 1091643251 /nfs/dbraw/zinc/64/32/51/1091643251.db2.gz LXYGNSJWYTWGCX-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1ccc2c(n1)N(C)CCN(Cc1c([O-])cccc1Cl)C2 ZINC001140338973 1091832894 /nfs/dbraw/zinc/83/28/94/1091832894.db2.gz BQIRHJNWGAIORF-UHFFFAOYSA-N -1 3 317.820 3.201 20 10 DGCDHM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])cccc2Cl)C1 ZINC001140342650 1091835574 /nfs/dbraw/zinc/83/55/74/1091835574.db2.gz SJHPYHSNPFDSQT-UHFFFAOYSA-N -1 3 312.797 3.056 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC001140465202 1091875579 /nfs/dbraw/zinc/87/55/79/1091875579.db2.gz HZZNSIWVRUZOPQ-UHFFFAOYSA-N -1 3 315.804 3.271 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CCC(c2cccnc2)CC1 ZINC001140584206 1091920707 /nfs/dbraw/zinc/92/07/07/1091920707.db2.gz JBVNQXXTWLGTEE-UHFFFAOYSA-N -1 3 304.340 3.445 20 10 DGCDHM O=C([N-]Cc1ccccc1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001545682254 1092303945 /nfs/dbraw/zinc/30/39/45/1092303945.db2.gz YURCGLLXLBDFLK-UHFFFAOYSA-N -1 3 313.250 3.079 20 10 DGCDHM COc1c(F)ccc(-c2noc(-c3cccc(O)c3[O-])n2)c1F ZINC001215145891 1093926739 /nfs/dbraw/zinc/92/67/39/1093926739.db2.gz PNVCPHTZUSZBQI-UHFFFAOYSA-N -1 3 320.251 3.102 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc3cnccc3c2)no1 ZINC001215145884 1093927203 /nfs/dbraw/zinc/92/72/03/1093927203.db2.gz OWJYBRUQPGXOEI-UHFFFAOYSA-N -1 3 305.293 3.363 20 10 DGCDHM Cc1noc2ccc(-c3noc(-c4cccc(O)c4[O-])n3)cc12 ZINC001215145802 1093927297 /nfs/dbraw/zinc/92/72/97/1093927297.db2.gz KBFJOBIMWBXQJR-UHFFFAOYSA-N -1 3 309.281 3.264 20 10 DGCDHM COc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(Cl)c1 ZINC001215145767 1093927303 /nfs/dbraw/zinc/92/73/03/1093927303.db2.gz IAEWTRFQTLRVCC-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc4cnccc4c3)no2)cc1O ZINC001215327698 1093961467 /nfs/dbraw/zinc/96/14/67/1093961467.db2.gz OVOVWSIYVYISDB-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM Cc1cccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1Cl ZINC001215327796 1093961586 /nfs/dbraw/zinc/96/15/86/1093961586.db2.gz UDNHPLJNTXWIBT-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc4cccnc43)no2)cc1O ZINC001215327478 1093961623 /nfs/dbraw/zinc/96/16/23/1093961623.db2.gz COTJCTNXJKGXGW-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](CC)CO1 ZINC000403837166 1094187657 /nfs/dbraw/zinc/18/76/57/1094187657.db2.gz CAEWWYBDAOAVNB-GJZGRUSLSA-N -1 3 309.381 3.123 20 10 DGCDHM O=C(NCc1cccc(Cl)c1Cl)c1cccc(O)c1[O-] ZINC000693712825 1095002806 /nfs/dbraw/zinc/00/28/06/1095002806.db2.gz UHZNRXLQMPGWGL-UHFFFAOYSA-N -1 3 312.152 3.335 20 10 DGCDHM CCCN(CC)c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001339381256 1095607359 /nfs/dbraw/zinc/60/73/59/1095607359.db2.gz MKRHQIAZMZCLSW-UHFFFAOYSA-N -1 3 317.418 3.034 20 10 DGCDHM COC(CN(Cc1ccccc1)Cc1c([O-])cccc1F)OC ZINC001137831535 1095755456 /nfs/dbraw/zinc/75/54/56/1095755456.db2.gz DCVKNORKRAPLEI-UHFFFAOYSA-N -1 3 319.376 3.152 20 10 DGCDHM Cc1ccc(CN2CCN(Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138127625 1095899164 /nfs/dbraw/zinc/89/91/64/1095899164.db2.gz IHSQPOQBYLAMGW-UHFFFAOYSA-N -1 3 314.404 3.158 20 10 DGCDHM COc1cccc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)c1 ZINC001224159449 1096148180 /nfs/dbraw/zinc/14/81/80/1096148180.db2.gz GDVSSFRYLGWQJR-LLVKDONJSA-N -1 3 318.348 3.100 20 10 DGCDHM O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cccc(O)c1[O-] ZINC001147580305 1096242937 /nfs/dbraw/zinc/24/29/37/1096242937.db2.gz GWMJVHGSAPUUEV-WCQYABFASA-N -1 3 303.745 3.037 20 10 DGCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1F ZINC001148220173 1096329409 /nfs/dbraw/zinc/32/94/09/1096329409.db2.gz VUYQJSIHWONUEM-MRVPVSSYSA-N -1 3 309.724 3.381 20 10 DGCDHM CCOC[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938507 1097017001 /nfs/dbraw/zinc/01/70/01/1097017001.db2.gz VSRPAIDSOKHUIC-LBPRGKRZSA-N -1 3 316.353 3.133 20 10 DGCDHM O=C([O-])c1ccc(C[NH+]2CCC(c3ccccc3)CC2)c([O-])c1 ZINC001231450477 1097751789 /nfs/dbraw/zinc/75/17/89/1097751789.db2.gz RRMOLHUSELJUNM-UHFFFAOYSA-N -1 3 311.381 3.470 20 10 DGCDHM C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450219 1097752343 /nfs/dbraw/zinc/75/23/43/1097752343.db2.gz BQFCCROQFXEJLC-UHFFFAOYSA-N -1 3 305.761 3.376 20 10 DGCDHM C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231450219 1097752348 /nfs/dbraw/zinc/75/23/48/1097752348.db2.gz BQFCCROQFXEJLC-UHFFFAOYSA-N -1 3 305.761 3.376 20 10 DGCDHM CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454630 1097754026 /nfs/dbraw/zinc/75/40/26/1097754026.db2.gz HFJOSJKNIAHRSU-UHFFFAOYSA-N -1 3 315.369 3.121 20 10 DGCDHM CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454630 1097754030 /nfs/dbraw/zinc/75/40/30/1097754030.db2.gz HFJOSJKNIAHRSU-UHFFFAOYSA-N -1 3 315.369 3.121 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H]3C[C@H]2[C@@H](C(F)(F)F)O3)cc1Cl ZINC001231869950 1097869517 /nfs/dbraw/zinc/86/95/17/1097869517.db2.gz BRIHDQWYPNIWHW-GAFUQQFSSA-N -1 3 321.726 3.258 20 10 DGCDHM [O-]c1c(CN2C[C@@H]3C[C@H]2[C@H](C(F)(F)F)O3)ccc2ccccc21 ZINC001231881162 1097876733 /nfs/dbraw/zinc/87/67/33/1097876733.db2.gz TWWHIJTXBKLZAD-DUVNUKRYSA-N -1 3 323.314 3.449 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001231912579 1097891206 /nfs/dbraw/zinc/89/12/06/1097891206.db2.gz PDJLJARLMZYMAJ-ZDUSSCGKSA-N -1 3 303.736 3.046 20 10 DGCDHM CN(Cc1cnc(Cl)s1)Cc1cc(Cl)c([O-])cc1O ZINC001232259009 1097985391 /nfs/dbraw/zinc/98/53/91/1097985391.db2.gz GUPJVKYMXTVCCG-UHFFFAOYSA-N -1 3 319.213 3.493 20 10 DGCDHM [O-]c1c(CN2CC[C@@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074827 1098219563 /nfs/dbraw/zinc/21/95/63/1098219563.db2.gz XRWHFGPIDLHDPV-LBPRGKRZSA-N -1 3 313.241 3.394 20 10 DGCDHM [O-]c1c(CN2CC[C@H](Oc3ccccc3)C2)ccc(F)c1F ZINC001233077316 1098219640 /nfs/dbraw/zinc/21/96/40/1098219640.db2.gz INRSZIVZXORKIY-AWEZNQCLSA-N -1 3 305.324 3.324 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H]1COCc1ccccc1 ZINC001233334324 1098292449 /nfs/dbraw/zinc/29/24/49/1098292449.db2.gz BTHAAMOBICKTQC-CQSZACIVSA-N -1 3 319.351 3.462 20 10 DGCDHM [O-]c1c(CN2CC3(C2)C[C@H](F)CS3)cccc1C(F)(F)F ZINC001233419318 1098325832 /nfs/dbraw/zinc/32/58/32/1098325832.db2.gz TVMYPBJSCXKWJP-JTQLQIEISA-N -1 3 321.339 3.440 20 10 DGCDHM [O-]c1c(CN2CCC[C@@]3(CCO3)C2)cccc1C(F)(F)F ZINC001233418390 1098326208 /nfs/dbraw/zinc/32/62/08/1098326208.db2.gz FKAZZSHORRJVDH-CQSZACIVSA-N -1 3 301.308 3.166 20 10 DGCDHM [O-]c1cccc(F)c1CNc1cnc2cc(F)c(F)cc2n1 ZINC001187678197 1099572159 /nfs/dbraw/zinc/57/21/59/1099572159.db2.gz ZNDGOZZFPIRMSH-UHFFFAOYSA-N -1 3 305.259 3.365 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001236790623 1099788150 /nfs/dbraw/zinc/78/81/50/1099788150.db2.gz RMYMVFBKANAHJB-OTYXRUKQSA-N -1 3 302.201 3.310 20 10 DGCDHM COc1ccc(CN(C)Cc2cccnc2C)c([O-])c1Cl ZINC001236807167 1099799288 /nfs/dbraw/zinc/79/92/88/1099799288.db2.gz GUQYFCOBSUNWSK-UHFFFAOYSA-N -1 3 306.793 3.390 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H]2c2ncccn2)c(Cl)c1 ZINC001236806294 1099801065 /nfs/dbraw/zinc/80/10/65/1099801065.db2.gz UGFVEMLSERPWBS-AWEZNQCLSA-N -1 3 319.792 3.181 20 10 DGCDHM COc1cc([O-])c(CN2C[C@@H](F)C[C@H]2C)c(Br)c1 ZINC001237066157 1099953221 /nfs/dbraw/zinc/95/32/21/1099953221.db2.gz SYNQXMDGLCOUHV-BDAKNGLRSA-N -1 3 318.186 3.096 20 10 DGCDHM Cc1nc(CCN(C)Cc2c([O-])ccc(Cl)c2Cl)no1 ZINC001237078650 1099957546 /nfs/dbraw/zinc/95/75/46/1099957546.db2.gz VVPZCKZRCDDINI-UHFFFAOYSA-N -1 3 316.188 3.065 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237950600 1100300747 /nfs/dbraw/zinc/30/07/47/1100300747.db2.gz XJBZWVUSTHSJSP-CYBMUJFWSA-N -1 3 321.726 3.185 20 10 DGCDHM CCC(CC)CN(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC001191682661 1100495944 /nfs/dbraw/zinc/49/59/44/1100495944.db2.gz QUHCGPNYOCMHHO-UHFFFAOYSA-N -1 3 313.825 3.457 20 10 DGCDHM CO[C@@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001196887131 1101413974 /nfs/dbraw/zinc/41/39/74/1101413974.db2.gz FWACKQCCARECAJ-QMTHXVAHSA-N -1 3 311.809 3.248 20 10 DGCDHM Cc1cc(CN2C[C@@H](F)C[C@H]2CF)c([O-])cc1Br ZINC001250120471 1105445698 /nfs/dbraw/zinc/44/56/98/1105445698.db2.gz FKYNUCZHQTUPAF-QWRGUYRKSA-N -1 3 320.177 3.345 20 10 DGCDHM COc1ccccc1[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001254451320 1106074431 /nfs/dbraw/zinc/07/44/31/1106074431.db2.gz LQMGHIGDXWNWTC-LLVKDONJSA-N -1 3 318.348 3.100 20 10 DGCDHM Cc1ccc([C@H]2C[C@H]2c2nnc(-c3ccc(O)c(O)c3[O-])o2)cc1 ZINC001257209710 1106551444 /nfs/dbraw/zinc/55/14/44/1106551444.db2.gz NZWAIUSAKOQFNT-CHWSQXEVSA-N -1 3 324.336 3.433 20 10 DGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1C ZINC001260637977 1107289019 /nfs/dbraw/zinc/28/90/19/1107289019.db2.gz CFAXLUGAUWTOKB-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)ccc1F ZINC001260760379 1107315539 /nfs/dbraw/zinc/31/55/39/1107315539.db2.gz GHDKFEXNVPQLDA-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM O=C(CCSc1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001303877337 1111156649 /nfs/dbraw/zinc/15/66/49/1111156649.db2.gz AXNOZRZOAQOWMQ-UHFFFAOYSA-N -1 3 323.364 3.469 20 10 DGCDHM Cc1ccc2c(CC(=O)NCc3c([O-])cccc3F)coc2c1 ZINC001303877343 1111156774 /nfs/dbraw/zinc/15/67/74/1111156774.db2.gz BAOBATDLPBGFHX-UHFFFAOYSA-N -1 3 313.328 3.445 20 10 DGCDHM CC(C)n1cc2c(n1)[C@H](NCc1cccc(F)c1[O-])CCC2 ZINC001308665618 1111457587 /nfs/dbraw/zinc/45/75/87/1111457587.db2.gz BXRRHAZDBOGNCX-OAHLLOKOSA-N -1 3 303.381 3.476 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCC2(C1)Oc1ccccc1O2 ZINC001308801216 1111477413 /nfs/dbraw/zinc/47/74/13/1111477413.db2.gz IDPJNEBPUIFMJN-UHFFFAOYSA-N -1 3 317.772 3.419 20 10 DGCDHM CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000179437676 432058384 /nfs/dbraw/zinc/05/83/84/432058384.db2.gz GBKODMUZYDCLBA-UHFFFAOYSA-N -1 3 315.369 3.077 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)c([O-])c1O ZINC000179515019 432060934 /nfs/dbraw/zinc/06/09/34/432060934.db2.gz YCMCCLNWXSSRHF-HNNXBMFYSA-N -1 3 311.381 3.111 20 10 DGCDHM Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccccc2[O-])o1 ZINC000179562315 432062860 /nfs/dbraw/zinc/06/28/60/432062860.db2.gz UFQHAXTYXLHSDG-QGZVFWFLSA-N -1 3 321.380 3.383 20 10 DGCDHM COc1ccc(CN(C)Cc2cccc(Cl)c2[O-])cc1O ZINC000179832482 432072035 /nfs/dbraw/zinc/07/20/35/432072035.db2.gz SHDKBBLGMSPTRW-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM CCO[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000042423871 183268416 /nfs/dbraw/zinc/26/84/16/183268416.db2.gz AYCITAFVOIDFKU-CQSZACIVSA-N -1 3 311.809 3.249 20 10 DGCDHM COc1ccc(-n2ccc(CN[C@H](C)c3ccccc3[O-])n2)cc1 ZINC000183492606 533215893 /nfs/dbraw/zinc/21/58/93/533215893.db2.gz ZAHYCOQFWBNNPC-CQSZACIVSA-N -1 3 323.396 3.437 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378517112 285380548 /nfs/dbraw/zinc/38/05/48/285380548.db2.gz JCKWPLAOWBOJJB-QGZVFWFLSA-N -1 3 321.779 3.278 20 10 DGCDHM Cc1cc(Cl)cc(CN2CCC(O)(C(F)(F)F)CC2)c1[O-] ZINC000272724349 130058212 /nfs/dbraw/zinc/05/82/12/130058212.db2.gz FVXRIPCZQNYCPH-UHFFFAOYSA-N -1 3 323.742 3.243 20 10 DGCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273386001 130114249 /nfs/dbraw/zinc/11/42/49/130114249.db2.gz JLXMQKMZMNCMOF-LLVKDONJSA-N -1 3 302.330 3.160 20 10 DGCDHM C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000273512994 130130330 /nfs/dbraw/zinc/13/03/30/130130330.db2.gz RZNLSGQAPVHSGM-YMTOWFKASA-N -1 3 311.303 3.194 20 10 DGCDHM CCC1(CC)CN(C(=O)c2ccc(C)c(O)c2[O-])CCS1 ZINC000274318405 130226199 /nfs/dbraw/zinc/22/61/99/130226199.db2.gz AHLSHHFLGJNMDP-UHFFFAOYSA-N -1 3 309.431 3.154 20 10 DGCDHM CC[C@@H](N[C@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000274934488 130274555 /nfs/dbraw/zinc/27/45/55/130274555.db2.gz RPLAWHRNYFZNHK-HUUCEWRRSA-N -1 3 307.340 3.445 20 10 DGCDHM Cc1cc(Br)cc([C@H](C)NCc2nccn2C)c1[O-] ZINC000275376081 130310006 /nfs/dbraw/zinc/31/00/06/130310006.db2.gz WSFXMNMBTXFYGP-JTQLQIEISA-N -1 3 324.222 3.047 20 10 DGCDHM COCCCN(Cc1ccncc1)Cc1c([O-])cccc1Cl ZINC000289471704 131389071 /nfs/dbraw/zinc/38/90/71/131389071.db2.gz PNTSYWBOHUSKMA-UHFFFAOYSA-N -1 3 320.820 3.479 20 10 DGCDHM Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2C)c([O-])c1O ZINC000272569287 292065569 /nfs/dbraw/zinc/06/55/69/292065569.db2.gz HVOKOMFXAJFAGU-JTQLQIEISA-N -1 3 303.383 3.227 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCn3cccc3[C@H]2C)c1[O-] ZINC000177236851 277106088 /nfs/dbraw/zinc/10/60/88/277106088.db2.gz JHADCXPTKPDIRQ-LLVKDONJSA-N -1 3 302.349 3.112 20 10 DGCDHM C[C@H](C(=O)NCCC1=CCCCC1)N(C)Cc1ccccc1[O-] ZINC000109773520 431179239 /nfs/dbraw/zinc/17/92/39/431179239.db2.gz LIGRWXGZVMOQQM-OAHLLOKOSA-N -1 3 316.445 3.219 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2scnc2C)c1[O-] ZINC000111671739 431233614 /nfs/dbraw/zinc/23/36/14/431233614.db2.gz GCFXAZMNAZVIFR-UHFFFAOYSA-N -1 3 308.378 3.131 20 10 DGCDHM C[C@H](c1nc(-c2cccnc2)no1)N(C)Cc1ccccc1[O-] ZINC000112981661 431317908 /nfs/dbraw/zinc/31/79/08/431317908.db2.gz ZQQRMFDAQMKRDK-GFCCVEGCSA-N -1 3 310.357 3.030 20 10 DGCDHM C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1[O-] ZINC000121143065 431748644 /nfs/dbraw/zinc/74/86/44/431748644.db2.gz CNAHBKXCZZYZET-SOUVJXGZSA-N -1 3 304.434 3.002 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC000093691081 431917996 /nfs/dbraw/zinc/91/79/96/431917996.db2.gz BQQXBWSHEHYEHE-OAHLLOKOSA-N -1 3 304.777 3.094 20 10 DGCDHM COc1cccc(CN[C@H](C)c2ccc(F)cc2[O-])c1OC ZINC000185076857 432464191 /nfs/dbraw/zinc/46/41/91/432464191.db2.gz ZBNZLUWKEPXGTH-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM Cc1c(CN[C@@H](C)c2ccc(Br)cc2[O-])cnn1C ZINC000186188378 432566909 /nfs/dbraw/zinc/56/69/09/432566909.db2.gz JZOZCNSTENYHNG-VIFPVBQESA-N -1 3 324.222 3.047 20 10 DGCDHM COCC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273409194 432595500 /nfs/dbraw/zinc/59/55/00/432595500.db2.gz HMLVJEMAQVGPDV-BXUZGUMPSA-N -1 3 320.345 3.322 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCSC[C@H]1c1nccs1 ZINC000186662906 432619836 /nfs/dbraw/zinc/61/98/36/432619836.db2.gz OIUKRYUSRVIOKE-LBPRGKRZSA-N -1 3 310.419 3.278 20 10 DGCDHM CCNC(=O)CN(Cc1ccccc1[O-])[C@@H](C)c1ccccc1 ZINC000268303955 432862396 /nfs/dbraw/zinc/86/23/96/432862396.db2.gz OVNBSUMYBQCXIZ-HNNXBMFYSA-N -1 3 312.413 3.092 20 10 DGCDHM C[C@@H](NCc1ncccc1N(C)C)c1cc(Cl)ccc1[O-] ZINC000289719034 432972797 /nfs/dbraw/zinc/97/27/97/432972797.db2.gz JLWYUBCPEMSURU-LLVKDONJSA-N -1 3 305.809 3.357 20 10 DGCDHM CCOCc1nc([C@@H](C)N[C@@H](CC)c2ccccc2[O-])no1 ZINC000290140799 432999665 /nfs/dbraw/zinc/99/96/65/432999665.db2.gz KQIUWMQZFADWPY-YPMHNXCESA-N -1 3 305.378 3.114 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290901149 433205045 /nfs/dbraw/zinc/20/50/45/433205045.db2.gz MCNCOGAVXYMKPD-LLVKDONJSA-N -1 3 312.200 3.343 20 10 DGCDHM COc1cc(Cl)cc(CN2CCC[C@H]2c2ncc[nH]2)c1[O-] ZINC000375358932 433441225 /nfs/dbraw/zinc/44/12/25/433441225.db2.gz ZDCQMYRNLVNSIV-LBPRGKRZSA-N -1 3 307.781 3.114 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000292572970 433579068 /nfs/dbraw/zinc/57/90/68/433579068.db2.gz BVZUZFXFXXQTOG-OAHLLOKOSA-N -1 3 323.820 3.128 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c([O-])c1O ZINC000294025616 433968349 /nfs/dbraw/zinc/96/83/49/433968349.db2.gz FKVALASUQGQJBV-CYBMUJFWSA-N -1 3 313.353 3.162 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000294199733 434036489 /nfs/dbraw/zinc/03/64/89/434036489.db2.gz ORMRNJQYNKBCOQ-QGZVFWFLSA-N -1 3 309.365 3.465 20 10 DGCDHM Cn1ccnc1[C@@H]1N(Cc2c([O-])cccc2Cl)CC1(C)C ZINC000294700754 434128053 /nfs/dbraw/zinc/12/80/53/434128053.db2.gz CZQGWBPRVHVOLN-AWEZNQCLSA-N -1 3 305.809 3.362 20 10 DGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(CF)CC2)c1[O-] ZINC000294910559 434152389 /nfs/dbraw/zinc/15/23/89/434152389.db2.gz ADIGDQQDUWRACN-UHFFFAOYSA-N -1 3 302.733 3.135 20 10 DGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@@H](CO)c1ccccc1 ZINC000295039710 434163942 /nfs/dbraw/zinc/16/39/42/434163942.db2.gz MMJJHQAVQWOFRR-HNNXBMFYSA-N -1 3 309.768 3.350 20 10 DGCDHM CC[C@H](NCc1cccc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000286202109 434195590 /nfs/dbraw/zinc/19/55/90/434195590.db2.gz RISPEJPHNSBQIE-HNNXBMFYSA-N -1 3 303.381 3.233 20 10 DGCDHM CC[C@@H](NCc1cccc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000286202112 434196240 /nfs/dbraw/zinc/19/62/40/434196240.db2.gz RISPEJPHNSBQIE-OAHLLOKOSA-N -1 3 303.381 3.233 20 10 DGCDHM Cc1cc(CN[C@H](C)c2ccc(Br)cc2[O-])on1 ZINC000185357555 533733339 /nfs/dbraw/zinc/73/33/39/533733339.db2.gz WGVJLAPODZRQKG-SECBINFHSA-N -1 3 311.179 3.302 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(Cc2cccnc2)C2CC2)c1[O-] ZINC000180724753 518282707 /nfs/dbraw/zinc/28/27/07/518282707.db2.gz KQBXARZPPSVRSZ-UHFFFAOYSA-N -1 3 314.360 3.294 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(Cc2ccccn2)C2CC2)c1[O-] ZINC000180855759 518283529 /nfs/dbraw/zinc/28/35/29/518283529.db2.gz DKBANCYSALHHPY-UHFFFAOYSA-N -1 3 314.360 3.294 20 10 DGCDHM [O-]c1ccccc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000179568446 534457085 /nfs/dbraw/zinc/45/70/85/534457085.db2.gz UAUJEJLZFOAROT-KRWDZBQOSA-N -1 3 305.324 3.244 20 10 DGCDHM CCCN(Cc1ncnn1CC(C)C)Cc1ccccc1[O-] ZINC000182817217 521695059 /nfs/dbraw/zinc/69/50/59/521695059.db2.gz PSKILLVCCJTONV-UHFFFAOYSA-N -1 3 302.422 3.052 20 10 DGCDHM COCCCOCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000181520315 523404655 /nfs/dbraw/zinc/40/46/55/523404655.db2.gz IRRUVYFWHPKKNG-UHFFFAOYSA-N -1 3 322.232 3.184 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccccc2F)C1 ZINC000180060039 526349493 /nfs/dbraw/zinc/34/94/93/526349493.db2.gz MRNMQIXUUZCBKZ-QGZVFWFLSA-N -1 3 305.324 3.244 20 10 DGCDHM COc1cc(C)ccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273588436 536652856 /nfs/dbraw/zinc/65/28/56/536652856.db2.gz OMPZDZOYLFHYMB-LBPRGKRZSA-N -1 3 316.357 3.468 20 10 DGCDHM O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cc([O-])cs1 ZINC000731866423 574560323 /nfs/dbraw/zinc/56/03/23/574560323.db2.gz NFBZSGUSCJZPMA-LBPRGKRZSA-N -1 3 322.455 3.082 20 10 DGCDHM O=C(Nc1ccc(N2CCCC2)c(F)c1)c1cc([O-])cs1 ZINC000731870671 574560702 /nfs/dbraw/zinc/56/07/02/574560702.db2.gz MKDOEBRCEPWENB-UHFFFAOYSA-N -1 3 306.362 3.445 20 10 DGCDHM COc1cccc([C@@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000731867547 574561116 /nfs/dbraw/zinc/56/11/16/574561116.db2.gz WSZYJDNBWMEWJM-AWEZNQCLSA-N -1 3 303.383 3.440 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC(OCc2ccccc2)CC1 ZINC000731868916 574561499 /nfs/dbraw/zinc/56/14/99/574561499.db2.gz DRAXVEGDKYTFOP-UHFFFAOYSA-N -1 3 317.410 3.275 20 10 DGCDHM Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)c(C)c1 ZINC000731909651 574561969 /nfs/dbraw/zinc/56/19/69/574561969.db2.gz HTZCVCZMFJJIMP-LLVKDONJSA-N -1 3 319.382 3.255 20 10 DGCDHM O=C(NCc1ccccc1Br)c1cc([O-])cs1 ZINC000732267475 574569515 /nfs/dbraw/zinc/56/95/15/574569515.db2.gz GOVMLKXHVXERDC-UHFFFAOYSA-N -1 3 312.188 3.146 20 10 DGCDHM Cc1cc(C)cc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)c1 ZINC000732354765 574572314 /nfs/dbraw/zinc/57/23/14/574572314.db2.gz YUDHXQXERMCQKM-NSHDSACASA-N -1 3 319.382 3.255 20 10 DGCDHM COC(=O)[C@@H](c1cccc(Cl)c1)N(C)Cc1ccccc1[O-] ZINC000735494509 574704047 /nfs/dbraw/zinc/70/40/47/574704047.db2.gz ZCVLAMWPIBXJNB-MRXNPFEDSA-N -1 3 319.788 3.392 20 10 DGCDHM CC(C)[N@H+](CCC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000736467655 574754731 /nfs/dbraw/zinc/75/47/31/574754731.db2.gz ARJJSTFJUOIEJP-UHFFFAOYSA-N -1 3 309.406 3.080 20 10 DGCDHM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc(C(C)(C)C)cc(O)c1[O-] ZINC000736467655 574754734 /nfs/dbraw/zinc/75/47/34/574754734.db2.gz ARJJSTFJUOIEJP-UHFFFAOYSA-N -1 3 309.406 3.080 20 10 DGCDHM Cc1ccccc1[C@H]1CN(C(=O)c2cc([O-])cs2)[C@H](C)CO1 ZINC000743710841 575061889 /nfs/dbraw/zinc/06/18/89/575061889.db2.gz WKRCMZVWOROPEC-IUODEOHRSA-N -1 3 317.410 3.364 20 10 DGCDHM Cc1ccc(N2CCC[C@@H](NC(=O)c3cc([O-])cs3)C2)cc1 ZINC000743718784 575062123 /nfs/dbraw/zinc/06/21/23/575062123.db2.gz RTHIFHFIJPDDPY-CYBMUJFWSA-N -1 3 316.426 3.161 20 10 DGCDHM Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)c([O-])c1O ZINC000751529339 575788766 /nfs/dbraw/zinc/78/87/66/575788766.db2.gz AXBFSZWKYGKKKY-UHFFFAOYSA-N -1 3 305.761 3.032 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)c([O-])c1O ZINC000751534287 575789512 /nfs/dbraw/zinc/78/95/12/575789512.db2.gz UEFCNSIWLCFYRJ-UHFFFAOYSA-N -1 3 315.325 3.166 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(OC(C)C)cc2)c([O-])c1O ZINC000751534360 575789535 /nfs/dbraw/zinc/78/95/35/575789535.db2.gz FLTFJFCYJGWNHR-UHFFFAOYSA-N -1 3 301.342 3.446 20 10 DGCDHM C[C@H](NCc1ccccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000752265581 575830075 /nfs/dbraw/zinc/83/00/75/575830075.db2.gz JZHZZKAEFSZEPQ-ZDUSSCGKSA-N -1 3 309.369 3.217 20 10 DGCDHM CCc1nc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)cs1 ZINC000918004213 620692732 /nfs/dbraw/zinc/69/27/32/620692732.db2.gz POFPXQNISYYWBC-SECBINFHSA-N -1 3 323.393 3.111 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CNCc1nc2c(s1)CCC2 ZINC000896287663 618897095 /nfs/dbraw/zinc/89/70/95/618897095.db2.gz LAKUOHGLFGGDKK-UHFFFAOYSA-N -1 3 312.797 3.420 20 10 DGCDHM COc1c([O-])c(CNc2ccc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000896613887 618933892 /nfs/dbraw/zinc/93/38/92/618933892.db2.gz YXLZAOJOULYSGX-UHFFFAOYSA-N -1 3 317.345 3.440 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896792497 618959929 /nfs/dbraw/zinc/95/99/29/618959929.db2.gz KOUAZTBJHQIFIE-HOTGVXAUSA-N -1 3 316.351 3.134 20 10 DGCDHM O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1c([O-])cccc1F ZINC000928710104 619059616 /nfs/dbraw/zinc/05/96/16/619059616.db2.gz GWHPHDAMGWHXEY-UKRRQHHQSA-N -1 3 313.319 3.363 20 10 DGCDHM COc1c([O-])c(CNc2ccc(C3CC3)cn2)ccc1[N+](=O)[O-] ZINC000897715430 619176075 /nfs/dbraw/zinc/17/60/75/619176075.db2.gz JYKNVGKYNGMAAW-UHFFFAOYSA-N -1 3 315.329 3.194 20 10 DGCDHM [O-]c1c(Br)cccc1CN1CC(Cc2ccoc2)C1 ZINC000898160745 619218863 /nfs/dbraw/zinc/21/88/63/619218863.db2.gz RSUIRCRLQHIFTH-UHFFFAOYSA-N -1 3 322.202 3.422 20 10 DGCDHM CCc1nn(C)c(Cl)c1CNCc1cccc(Cl)c1[O-] ZINC000898218840 619222856 /nfs/dbraw/zinc/22/28/56/619222856.db2.gz QOCITCNZTKDJAJ-UHFFFAOYSA-N -1 3 314.216 3.285 20 10 DGCDHM C[C@H](NCc1nc2c(s1)CCC2)c1cc(F)cc(F)c1[O-] ZINC000903190575 619737687 /nfs/dbraw/zinc/73/76/87/619737687.db2.gz AVGXLBDNHNSDAG-QMMMGPOBSA-N -1 3 310.369 3.466 20 10 DGCDHM CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000922124785 620991607 /nfs/dbraw/zinc/99/16/07/620991607.db2.gz GHZAQPYNPCIZPU-NSHDSACASA-N -1 3 322.302 3.308 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1nccc2c1CCCC2 ZINC000922460491 621041041 /nfs/dbraw/zinc/04/10/41/621041041.db2.gz AFTXEQGARFGPBI-UHFFFAOYSA-N -1 3 304.340 3.234 20 10 DGCDHM CS[C@@H]1CCCC[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC000923059811 621152600 /nfs/dbraw/zinc/15/26/00/621152600.db2.gz AEBODROHFPUYMU-TZMCWYRMSA-N -1 3 312.410 3.005 20 10 DGCDHM C[C@@]1(CCNC(=O)NCc2c([O-])cccc2F)C[C@@]1(F)Cl ZINC000923067271 621154338 /nfs/dbraw/zinc/15/43/38/621154338.db2.gz UNZIXCCVBFAOHI-KGLIPLIRSA-N -1 3 318.751 3.035 20 10 DGCDHM CC(C)n1ccc(CNCc2c([O-])cccc2Br)n1 ZINC000858141621 621157450 /nfs/dbraw/zinc/15/74/50/621157450.db2.gz QYDOPAOVGGCDQW-UHFFFAOYSA-N -1 3 324.222 3.222 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cccc3c2OCC3)c1 ZINC000858478482 621196282 /nfs/dbraw/zinc/19/62/82/621196282.db2.gz ROCUZNIUYAVNIT-NSHDSACASA-N -1 3 313.353 3.287 20 10 DGCDHM Cc1cccc([O-])c1C(=O)NCCCSc1nccs1 ZINC000859350316 621271425 /nfs/dbraw/zinc/27/14/25/621271425.db2.gz AAICKNHDRUUNHR-UHFFFAOYSA-N -1 3 308.428 3.069 20 10 DGCDHM C[C@H]1COC(C)(C)CN1Cc1c([O-])cccc1Br ZINC000862344260 621576150 /nfs/dbraw/zinc/57/61/50/621576150.db2.gz OBIHAJVNYALOMC-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM C[C@@H](NCc1nc2cc(F)ccc2n1C)c1ccc(F)cc1[O-] ZINC000756733670 621661315 /nfs/dbraw/zinc/66/13/15/621661315.db2.gz RSGUKANVUXRQPP-SNVBAGLBSA-N -1 3 317.339 3.408 20 10 DGCDHM O=C([N-]Cc1ccccc1O)C(F)(F)c1c(F)cccc1F ZINC000757101176 621686515 /nfs/dbraw/zinc/68/65/15/621686515.db2.gz PCCNDQMKXBPFJE-UHFFFAOYSA-N -1 3 313.250 3.079 20 10 DGCDHM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758169377 621762850 /nfs/dbraw/zinc/76/28/50/621762850.db2.gz RATLLLPEQUGXGA-UHFFFAOYSA-N -1 3 315.753 3.294 20 10 DGCDHM CCOc1ccc(OC)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000770484115 622637941 /nfs/dbraw/zinc/63/79/41/622637941.db2.gz WAWLQEZRSXCBCM-UHFFFAOYSA-N -1 3 317.341 3.066 20 10 DGCDHM COc1c([O-])c(CNc2cccc(C)c2F)ccc1[N+](=O)[O-] ZINC000774941765 623210244 /nfs/dbraw/zinc/21/02/44/623210244.db2.gz MGCAVDPETJQWAH-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM COc1ccc(F)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775032370 623219081 /nfs/dbraw/zinc/21/90/81/623219081.db2.gz HENNJTDGQMAKHM-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM CN(C)c1ccc(C=C2SC(=O)[N-]C2=O)c(C(F)(F)F)c1 ZINC000874927606 623392076 /nfs/dbraw/zinc/39/20/76/623392076.db2.gz FKEFBFAQUIYTRH-YHYXMXQVSA-N -1 3 316.304 3.095 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000776691753 623451992 /nfs/dbraw/zinc/45/19/92/623451992.db2.gz MMOQVAFXJJWZSZ-KRWDZBQOSA-N -1 3 317.816 3.489 20 10 DGCDHM Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2[O-])n[nH]1 ZINC000790598044 625674822 /nfs/dbraw/zinc/67/48/22/625674822.db2.gz IOEOXYYQHURFIB-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM Cc1[nH]nc(NC(=O)c2cccc(O)c2[O-])c1-c1ccccc1 ZINC000790602490 625676590 /nfs/dbraw/zinc/67/65/90/625676590.db2.gz BMLQRGZAFQJBPX-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM C[C@@H](O)[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611749 623961682 /nfs/dbraw/zinc/96/16/82/623961682.db2.gz ZAXYVPRNGBDDCP-RFAUZJTJSA-N -1 3 311.303 3.021 20 10 DGCDHM Cc1ccccc1C[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000790716046 625689296 /nfs/dbraw/zinc/68/92/96/625689296.db2.gz GQNCFIROQLNCLN-OAHLLOKOSA-N -1 3 311.381 3.254 20 10 DGCDHM [O-]c1c(CN2CC[C@H](O)C[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877673739 623986952 /nfs/dbraw/zinc/98/69/52/623986952.db2.gz QXVFGPQPHOLZKE-GOEBONIOSA-N -1 3 319.351 3.368 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)c1 ZINC000780838570 623988889 /nfs/dbraw/zinc/98/88/89/623988889.db2.gz ZRTKTKLRIPHIJZ-UHFFFAOYSA-N -1 3 315.753 3.294 20 10 DGCDHM CCc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1CC(C)C ZINC000780996720 624008913 /nfs/dbraw/zinc/00/89/13/624008913.db2.gz ZSEIILMOLMDFFR-UHFFFAOYSA-N -1 3 317.389 3.073 20 10 DGCDHM O=C1N[C@H](c2c([O-])cccc2Br)Nc2ccccc21 ZINC000877842177 624066041 /nfs/dbraw/zinc/06/60/41/624066041.db2.gz AKPPQEIRNFYMMW-CYBMUJFWSA-N -1 3 319.158 3.009 20 10 DGCDHM O=C1N[C@@H](c2cc(Cl)ccc2[O-])Nc2cc(F)c(F)cc21 ZINC000877857998 624071425 /nfs/dbraw/zinc/07/14/25/624071425.db2.gz AJLSTOCJJZCGIN-ZDUSSCGKSA-N -1 3 310.687 3.178 20 10 DGCDHM CC1(C)N[C@H](c2cc(F)ccc2[O-])N(CC2CCCCC2)C1=O ZINC000877857505 624071513 /nfs/dbraw/zinc/07/15/13/624071513.db2.gz SMSOETJEPJIBFN-INIZCTEOSA-N -1 3 320.408 3.321 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCSCC2)c1 ZINC000781898235 624166690 /nfs/dbraw/zinc/16/66/90/624166690.db2.gz VYNVQTPLGRLBRU-UHFFFAOYSA-N -1 3 302.237 3.012 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCSC[C@H]2C)c1 ZINC000781907898 624169086 /nfs/dbraw/zinc/16/90/86/624169086.db2.gz HEXBMYAEHSWMPK-SNVBAGLBSA-N -1 3 316.264 3.400 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCCOC[C@@H]2C)c1 ZINC000781914740 624170581 /nfs/dbraw/zinc/17/05/81/624170581.db2.gz ZHWWCGRPKKCQFR-NSHDSACASA-N -1 3 314.223 3.074 20 10 DGCDHM Cc1c2nc(NC(=O)c3cccc(O)c3[O-])sc2ccc1F ZINC000790878176 625711405 /nfs/dbraw/zinc/71/14/05/625711405.db2.gz PSDRYPYDPNBIEX-UHFFFAOYSA-N -1 3 318.329 3.407 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1/C=C\c1ccccc1 ZINC000790922624 625715990 /nfs/dbraw/zinc/71/59/90/625715990.db2.gz RTEXWOOQTXOZMS-SSCKCOOKSA-N -1 3 309.365 3.416 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@H](C)[C@@H](C)O1 ZINC000783738880 624389536 /nfs/dbraw/zinc/38/95/36/624389536.db2.gz YHKIJZVYMDOLOE-GMTAPVOTSA-N -1 3 314.223 3.152 20 10 DGCDHM CC[C@H](C)c1nnc([C@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883102169 625928542 /nfs/dbraw/zinc/92/85/42/625928542.db2.gz IJCDXUHPEAMFDH-IUCAKERBSA-N -1 3 310.348 3.153 20 10 DGCDHM CC[C@H](C)c1nc([C@H](C)NCc2cc(F)cc(F)c2[O-])n[nH]1 ZINC000883102169 625928547 /nfs/dbraw/zinc/92/85/47/625928547.db2.gz IJCDXUHPEAMFDH-IUCAKERBSA-N -1 3 310.348 3.153 20 10 DGCDHM COC[C@H](NCc1cc(F)cc(F)c1[O-])c1cccc(OC)c1 ZINC000883167157 625950626 /nfs/dbraw/zinc/95/06/26/625950626.db2.gz REFNJCSWXKEFBW-INIZCTEOSA-N -1 3 323.339 3.156 20 10 DGCDHM CSc1ccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000799066928 626269536 /nfs/dbraw/zinc/26/95/36/626269536.db2.gz KEWMWZWYUDSYMD-SNVBAGLBSA-N -1 3 303.383 3.311 20 10 DGCDHM CC(C)Cn1ncc(NC(=O)c2cccc(O)c2[O-])c1C1CC1 ZINC000807854558 626772446 /nfs/dbraw/zinc/77/24/46/626772446.db2.gz FQDNUZVTMISNFA-UHFFFAOYSA-N -1 3 315.373 3.080 20 10 DGCDHM CCN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H](C)C1 ZINC000809697652 626938159 /nfs/dbraw/zinc/93/81/59/626938159.db2.gz LADAWIUJVBYPIS-SNVBAGLBSA-N -1 3 303.233 3.225 20 10 DGCDHM CCOC(=O)c1ccc(CNCc2c([O-])cccc2Cl)o1 ZINC000809743101 626944653 /nfs/dbraw/zinc/94/46/53/626944653.db2.gz LQJLZGVZLMCPGR-UHFFFAOYSA-N -1 3 309.749 3.105 20 10 DGCDHM C[C@]1(Cc2cccs2)CCCN1C(=O)c1cccc(O)c1[O-] ZINC000885256455 626994416 /nfs/dbraw/zinc/99/44/16/626994416.db2.gz CZXTZSWGOITYQU-QGZVFWFLSA-N -1 3 317.410 3.397 20 10 DGCDHM C[C@H](NCc1cccc2c1OCCO2)c1c([O-])cccc1F ZINC000886548024 627160777 /nfs/dbraw/zinc/16/07/77/627160777.db2.gz WGQVHVCZNNSHPX-NSHDSACASA-N -1 3 303.333 3.153 20 10 DGCDHM Cn1nc2c(c1CNCc1c([O-])ccc(Cl)c1F)CCCC2 ZINC000812773761 627418962 /nfs/dbraw/zinc/41/89/62/627418962.db2.gz QPPLMGQZTJORPJ-UHFFFAOYSA-N -1 3 323.799 3.087 20 10 DGCDHM COc1c([O-])c(CNc2ncc(Cl)cc2C)ccc1[N+](=O)[O-] ZINC000812784465 627419513 /nfs/dbraw/zinc/41/95/13/627419513.db2.gz PMCUJYDIUKXHLX-UHFFFAOYSA-N -1 3 323.736 3.278 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCc2ccccc2[C@@H]1CO ZINC000816513642 627799442 /nfs/dbraw/zinc/79/94/42/627799442.db2.gz XHPQMDZGSGBFAI-INIZCTEOSA-N -1 3 321.779 3.276 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](CO)c1cccc(F)c1 ZINC000816550312 627806010 /nfs/dbraw/zinc/80/60/10/627806010.db2.gz NVQUHSWSMPIMQA-CQSZACIVSA-N -1 3 313.731 3.147 20 10 DGCDHM CC(C)[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])CCCO1 ZINC000816676280 627823514 /nfs/dbraw/zinc/82/35/14/627823514.db2.gz WWAQJFXMYMIRLS-HNNXBMFYSA-N -1 3 301.789 3.432 20 10 DGCDHM COc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc2cccnc21 ZINC000816830405 627833046 /nfs/dbraw/zinc/83/30/46/627833046.db2.gz FWYDYDGXBDUYCA-UHFFFAOYSA-N -1 3 324.336 3.215 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccc(COCCO)cc1 ZINC000818233415 628007583 /nfs/dbraw/zinc/00/75/83/628007583.db2.gz MBXNUKDEHANVAU-UHFFFAOYSA-N -1 3 307.777 3.167 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C1CC(c2ccc(F)cc2)C1 ZINC000928706838 628179294 /nfs/dbraw/zinc/17/92/94/628179294.db2.gz WIGLFIRSVFYCKL-UHFFFAOYSA-N -1 3 317.335 3.480 20 10 DGCDHM C[C@@]1(CC(=O)NCc2c([O-])cccc2F)CC1(Cl)Cl ZINC000928705018 628179336 /nfs/dbraw/zinc/17/93/36/628179336.db2.gz CBJIIVWLYORBIA-GFCCVEGCSA-N -1 3 306.164 3.122 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@]12CCc1ccccc12 ZINC000928706749 628179359 /nfs/dbraw/zinc/17/93/59/628179359.db2.gz ZBZVPHFTSVSHQF-DNVCBOLYSA-N -1 3 311.356 3.052 20 10 DGCDHM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC000928705507 628179435 /nfs/dbraw/zinc/17/94/35/628179435.db2.gz KQJOMGIFSSEKLB-MNOVXSKESA-N -1 3 305.374 3.321 20 10 DGCDHM O=C(CCC[C@H](O)c1ccccc1)NCc1c([O-])cccc1F ZINC000928706979 628179467 /nfs/dbraw/zinc/17/94/67/628179467.db2.gz ZEMGKRJKJCPRHU-INIZCTEOSA-N -1 3 317.360 3.051 20 10 DGCDHM CCCc1nc(C)c(C(=O)NCc2c([O-])cccc2F)s1 ZINC000928710306 628180067 /nfs/dbraw/zinc/18/00/67/628180067.db2.gz ATBJYMDKNPQEFF-UHFFFAOYSA-N -1 3 308.378 3.179 20 10 DGCDHM O=C(CCCOCc1ccccc1)NCc1c([O-])cccc1F ZINC000928712321 628180849 /nfs/dbraw/zinc/18/08/49/628180849.db2.gz REAIWLYYCQOLHH-UHFFFAOYSA-N -1 3 317.360 3.145 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1CCC[C@@H]1c1ncc[nH]1 ZINC000825513248 628770858 /nfs/dbraw/zinc/77/08/58/628770858.db2.gz FIYOBLLDUKRMQK-GFCCVEGCSA-N -1 3 322.206 3.215 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@](O)(C2CC2)C1 ZINC000827151759 628929064 /nfs/dbraw/zinc/92/90/64/628929064.db2.gz JFWBTXQSQFTXOI-HNNXBMFYSA-N -1 3 316.228 3.436 20 10 DGCDHM O=C([O-])N[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159713 629674714 /nfs/dbraw/zinc/67/47/14/629674714.db2.gz WAZQLNNIZWLSAM-SJORKVTESA-N -1 3 324.380 3.165 20 10 DGCDHM COc1ccc(N(CC2CC2)C(=O)c2cccc(O)c2[O-])cc1 ZINC000836840748 630172288 /nfs/dbraw/zinc/17/22/88/630172288.db2.gz QFLMWJKAMLLILG-UHFFFAOYSA-N -1 3 313.353 3.163 20 10 DGCDHM CCn1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000840840680 630365477 /nfs/dbraw/zinc/36/54/77/630365477.db2.gz NMSMBGWRNUBVKW-JTQLQIEISA-N -1 3 313.323 3.478 20 10 DGCDHM Cc1cc([O-])c(CNCc2csc(N(C)C)n2)c(Cl)c1 ZINC000840902387 630375159 /nfs/dbraw/zinc/37/51/59/630375159.db2.gz OVVBAMZCPDZVMX-UHFFFAOYSA-N -1 3 311.838 3.166 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c(Cl)c1 ZINC000840948961 630382886 /nfs/dbraw/zinc/38/28/86/630382886.db2.gz KEESNJOCOFMNKF-IAGOWNOFSA-N -1 3 307.821 3.497 20 10 DGCDHM COCc1nc(CNCc2c([O-])cc(C)cc2Cl)cs1 ZINC000840946725 630382903 /nfs/dbraw/zinc/38/29/03/630382903.db2.gz NJRHDQHERQPNBH-UHFFFAOYSA-N -1 3 312.822 3.247 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840959653 630386611 /nfs/dbraw/zinc/38/66/11/630386611.db2.gz ZFBSDZUIIRGGOB-CZUORRHYSA-N -1 3 321.779 3.493 20 10 DGCDHM C[C@H](NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1[O-] ZINC000841743839 630461242 /nfs/dbraw/zinc/46/12/42/630461242.db2.gz KKAHPJCUSYNBAP-NSHDSACASA-N -1 3 320.824 3.214 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN[C@H](C)c2nccn2C)c1 ZINC000850409581 632143021 /nfs/dbraw/zinc/14/30/21/632143021.db2.gz BVEKNMQRYVDHMJ-SNVBAGLBSA-N -1 3 324.222 3.047 20 10 DGCDHM C[C@@H](O)[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421573 632147502 /nfs/dbraw/zinc/14/75/02/632147502.db2.gz YTUDSRGPXOKKBV-QLJPJBMISA-N -1 3 309.768 3.396 20 10 DGCDHM COc1ccnc(CN[C@H](C)c2cc(F)cc(F)c2[O-])c1F ZINC000850536775 632186363 /nfs/dbraw/zinc/18/63/63/632186363.db2.gz JVEXFALIWBJVEJ-MRVPVSSYSA-N -1 3 312.291 3.064 20 10 DGCDHM CCCN(C(=O)c1cccc(O)c1[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000185719812 660238160 /nfs/dbraw/zinc/23/81/60/660238160.db2.gz FEHXDIHETAJXQA-CABCVRRESA-N -1 3 321.417 3.154 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccccc1)CC(F)F ZINC000185761058 660239650 /nfs/dbraw/zinc/23/96/50/660239650.db2.gz SPZILAFCZVWNME-UHFFFAOYSA-N -1 3 307.296 3.005 20 10 DGCDHM CC(C)Oc1cccc([C@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000186944282 660598058 /nfs/dbraw/zinc/59/80/58/660598058.db2.gz JOGNAQMJYJGNFM-LBPRGKRZSA-N -1 3 315.369 3.376 20 10 DGCDHM CCC[C@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000709023216 660923479 /nfs/dbraw/zinc/92/34/79/660923479.db2.gz ZLVRQTHLBQXHHJ-NSHDSACASA-N -1 3 314.223 3.156 20 10 DGCDHM CON(C[C@@H]1CCC[C@H](C)C1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000794326124 661078757 /nfs/dbraw/zinc/07/87/57/661078757.db2.gz FYTUPRWDIYSACZ-WCQYABFASA-N -1 3 307.390 3.236 20 10 DGCDHM C[C@H]1CSCCN1Cc1cccc(Br)c1[O-] ZINC000179664099 659938020 /nfs/dbraw/zinc/93/80/20/659938020.db2.gz QTWWDVWLRNPXTH-VIFPVBQESA-N -1 3 302.237 3.092 20 10 DGCDHM CCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c(C)c1 ZINC000182148485 660035517 /nfs/dbraw/zinc/03/55/17/660035517.db2.gz NINSYHJTGOZWKD-UHFFFAOYSA-N -1 3 301.342 3.366 20 10 DGCDHM CC(C)CCn1ccc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC000930414836 661396212 /nfs/dbraw/zinc/39/62/12/661396212.db2.gz OQUGEFMGDNXXDF-UHFFFAOYSA-N -1 3 320.368 3.096 20 10 DGCDHM C[C@H](C1CC1)n1cc(NC(=O)NCc2c([O-])cccc2F)cn1 ZINC000930975270 661442938 /nfs/dbraw/zinc/44/29/38/661442938.db2.gz HARBDDQQZCWCJY-SNVBAGLBSA-N -1 3 318.352 3.021 20 10 DGCDHM CNC(=O)c1cccc(NCc2c([O-])cccc2Cl)c1C ZINC000155422831 661846669 /nfs/dbraw/zinc/84/66/69/661846669.db2.gz TXNHDCPEEAKAJE-UHFFFAOYSA-N -1 3 304.777 3.326 20 10 DGCDHM C[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1cccc(O)c1[O-] ZINC000188154321 661918510 /nfs/dbraw/zinc/91/85/10/661918510.db2.gz CIBUXQAOXMXLKX-VIFPVBQESA-N -1 3 307.296 3.209 20 10 DGCDHM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193104501 662123284 /nfs/dbraw/zinc/12/32/84/662123284.db2.gz IYSHBOGNHBHEHA-NHYWBVRUSA-N -1 3 315.344 3.460 20 10 DGCDHM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193104477 662123293 /nfs/dbraw/zinc/12/32/93/662123293.db2.gz IYSHBOGNHBHEHA-XHDPSFHLSA-N -1 3 315.344 3.460 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C(F)(F)F)C2)c1[O-] ZINC000385827271 685174298 /nfs/dbraw/zinc/17/42/98/685174298.db2.gz ZFSADMWYKZUIIY-JTQLQIEISA-N -1 3 305.271 3.118 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H](CC)O1 ZINC000398443516 685237109 /nfs/dbraw/zinc/23/71/09/685237109.db2.gz PVVYLNYPHWBXCQ-GASCZTMLSA-N -1 3 309.381 3.123 20 10 DGCDHM C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC001589983310 1192480882 /nfs/dbraw/zinc/48/08/82/1192480882.db2.gz VWNBDVVZKFFEBH-LBPRGKRZSA-N -1 3 308.389 3.106 20 10 DGCDHM CCN(Cc1ccc(C)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC001590719031 1192534417 /nfs/dbraw/zinc/53/44/17/1192534417.db2.gz DXZMZWNHAZIOOD-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM CCN(Cc1ccc(C)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC001590719031 1192534420 /nfs/dbraw/zinc/53/44/20/1192534420.db2.gz DXZMZWNHAZIOOD-UHFFFAOYSA-N -1 3 323.400 3.210 20 10 DGCDHM Clc1ccc(CSc2nccs2)c(-c2nnn[n-]2)c1 ZINC001592531331 1192614849 /nfs/dbraw/zinc/61/48/49/1192614849.db2.gz FETHPGVVISOHGX-UHFFFAOYSA-N -1 3 309.807 3.269 20 10 DGCDHM Clc1ccc(CSc2nccs2)c(-c2nn[n-]n2)c1 ZINC001592531331 1192614851 /nfs/dbraw/zinc/61/48/51/1192614851.db2.gz FETHPGVVISOHGX-UHFFFAOYSA-N -1 3 309.807 3.269 20 10 DGCDHM Cc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC001600830038 1192902404 /nfs/dbraw/zinc/90/24/04/1192902404.db2.gz DVSLDRLWQFGOGT-NSHDSACASA-N -1 3 302.374 3.203 20 10 DGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)c(C)n1C1CC1 ZINC001335310826 1178890987 /nfs/dbraw/zinc/89/09/87/1178890987.db2.gz GHMRXEJHNGQTIY-UHFFFAOYSA-N -1 3 302.349 3.215 20 10 DGCDHM CC[C@@H](C)NC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001200492140 1180679408 /nfs/dbraw/zinc/67/94/08/1180679408.db2.gz GXSWQXADOGCETQ-SECBINFHSA-N -1 3 323.849 3.356 20 10 DGCDHM CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336882 1193066314 /nfs/dbraw/zinc/06/63/14/1193066314.db2.gz BZVALEPQRXNSKY-RVSPLBMKSA-N -1 3 321.417 3.192 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c(Cl)cccc1[N+](=O)[O-] ZINC001456030259 1182394992 /nfs/dbraw/zinc/39/49/92/1182394992.db2.gz RWRUGOCCPCEFOX-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM Cc1cc([O-])c(CN2CCOc3cc(O)ccc3C2)cc1Cl ZINC001462221704 1182925498 /nfs/dbraw/zinc/92/54/98/1182925498.db2.gz MVTARLABTIOZBR-UHFFFAOYSA-N -1 3 319.788 3.454 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1ccc(Br)o1 ZINC001462597185 1182974039 /nfs/dbraw/zinc/97/40/39/1182974039.db2.gz XYFMDHOJSIPIKG-UHFFFAOYSA-N -1 3 300.127 3.177 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])n(-c2ccc(C)cc2)n1 ZINC001464671127 1183106165 /nfs/dbraw/zinc/10/61/65/1183106165.db2.gz MZSAMAARAHGZEA-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC001468787083 1183358641 /nfs/dbraw/zinc/35/86/41/1183358641.db2.gz OEYMOCJYFGYXRF-RWMBFGLXSA-N -1 3 306.381 3.299 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC001471975800 1183604134 /nfs/dbraw/zinc/60/41/34/1183604134.db2.gz HXHJRZAJCAXQPF-JQWIXIFHSA-N -1 3 321.298 3.229 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@]2(C)CCCC[C@H]2C(=O)[O-])c1[O-] ZINC001607656260 1193246135 /nfs/dbraw/zinc/24/61/35/1193246135.db2.gz VENDQLOVKYZSHF-XJKSGUPXSA-N -1 3 311.809 3.477 20 10 DGCDHM C[C@H]([NH2+]CCN(C)C1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609782342 1193356705 /nfs/dbraw/zinc/35/67/05/1193356705.db2.gz ZUCSHZUJFCVRLH-ZDUSSCGKSA-N -1 3 320.433 3.006 20 10 DGCDHM Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610574813 1193399506 /nfs/dbraw/zinc/39/95/06/1193399506.db2.gz HZFBHKFJSAUEDR-VHSXEESVSA-N -1 3 318.373 3.150 20 10 DGCDHM Cc1ccccc1C[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001558454226 1189126157 /nfs/dbraw/zinc/12/61/57/1189126157.db2.gz BXOYFVLDPMDUIJ-ZDUSSCGKSA-N -1 3 301.361 3.335 20 10 DGCDHM C[C@@H](C(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001558455816 1189126472 /nfs/dbraw/zinc/12/64/72/1189126472.db2.gz ZIIUTMWCHHSXCG-SECBINFHSA-N -1 3 309.287 3.229 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2cccc(C(N)=O)c2)c(Cl)c1 ZINC001560682326 1189360081 /nfs/dbraw/zinc/36/00/81/1189360081.db2.gz AFMNRLXBUOHGFF-UHFFFAOYSA-N -1 3 318.804 3.085 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCc2cc(Cl)nnc2C1 ZINC001560904480 1189403129 /nfs/dbraw/zinc/40/31/29/1189403129.db2.gz ZOCZEGHCQOKAFV-UHFFFAOYSA-N -1 3 310.184 3.047 20 10 DGCDHM COc1ccc2c(c1)N(Cc1cc(F)c(F)cc1[O-])CCO2 ZINC001621228703 1193819902 /nfs/dbraw/zinc/81/99/02/1193819902.db2.gz IUXQJZYHEPQLGS-UHFFFAOYSA-N -1 3 307.296 3.078 20 10 DGCDHM NC(=O)Nc1cc(NCc2ccc(Cl)cc2[O-])ccc1F ZINC001621361826 1193832904 /nfs/dbraw/zinc/83/29/04/1193832904.db2.gz QIWWWADVNQXDKS-UHFFFAOYSA-N -1 3 309.728 3.287 20 10 DGCDHM O=C(CCc1cncc2ccccc21)NCc1c([O-])cccc1F ZINC001635366565 1194547615 /nfs/dbraw/zinc/54/76/15/1194547615.db2.gz BHKHBARVOVRHGU-UHFFFAOYSA-N -1 3 324.355 3.329 20 10 DGCDHM C[C@@H](CC(=O)NCc1c([O-])cccc1F)c1cccc(F)c1 ZINC001638863209 1194741223 /nfs/dbraw/zinc/74/12/23/1194741223.db2.gz KRSLMZKKXACLCD-NSHDSACASA-N -1 3 305.324 3.480 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)c(Cl)[nH]1 ZINC001638864051 1194741319 /nfs/dbraw/zinc/74/13/19/1194741319.db2.gz RYVNAMQONZTDKU-UHFFFAOYSA-N -1 3 303.120 3.096 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1nc(Cl)ccc1Cl ZINC001645048222 1195152539 /nfs/dbraw/zinc/15/25/39/1195152539.db2.gz MEFSXKKEUUGVQF-UHFFFAOYSA-N -1 3 315.131 3.163 20 10 DGCDHM C[C@@H](CSC(F)(F)F)C(=O)NCc1c([O-])cccc1F ZINC001652298993 1195578550 /nfs/dbraw/zinc/57/85/50/1195578550.db2.gz XPJAERGZTSIXNB-ZETCQYMHSA-N -1 3 311.300 3.037 20 10 DGCDHM Cc1cc([O-])c(CN2CC(O)(c3ccc(F)cc3)C2)c(Cl)c1 ZINC001653063458 1195684993 /nfs/dbraw/zinc/68/49/93/1195684993.db2.gz VPXMYXGMVSREFM-UHFFFAOYSA-N -1 3 321.779 3.197 20 10 DGCDHM Cc1cc(N(C)C)ccc1NC(=O)NCc1c([O-])cccc1F ZINC001657525139 1196151307 /nfs/dbraw/zinc/15/13/07/1196151307.db2.gz FACCVUJCQWULDU-UHFFFAOYSA-N -1 3 317.364 3.227 20 10 DGCDHM COCC[C@@H](NCc1cc(F)c(F)cc1[O-])c1ccc(C)o1 ZINC001657545763 1196154109 /nfs/dbraw/zinc/15/41/09/1196154109.db2.gz GLFCMYUBOFYSMB-CQSZACIVSA-N -1 3 311.328 3.439 20 10 DGCDHM Cn1cnc(-c2ccc(NCc3cc(F)c(F)cc3[O-])cc2)n1 ZINC001657703189 1196170481 /nfs/dbraw/zinc/17/04/81/1196170481.db2.gz GDWUHGHIJVYWPJ-UHFFFAOYSA-N -1 3 316.311 3.078 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1C[C@@H](CO)Cc2ccccc21 ZINC001659317145 1196371565 /nfs/dbraw/zinc/37/15/65/1196371565.db2.gz XCRHJRQNUIDNFL-LBPRGKRZSA-N -1 3 303.789 3.217 20 10 DGCDHM CCC(=O)c1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001660061000 1196441839 /nfs/dbraw/zinc/44/18/39/1196441839.db2.gz UUXOFGBSSNAMDL-UHFFFAOYSA-N -1 3 316.332 3.446 20 10 DGCDHM COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)cc1[O-] ZINC001663915921 1196957839 /nfs/dbraw/zinc/95/78/39/1196957839.db2.gz GFSRXSSEUUMWMI-INIZCTEOSA-N -1 3 319.788 3.392 20 10 DGCDHM O=C1NCCN1c1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001663974860 1196962094 /nfs/dbraw/zinc/96/20/94/1196962094.db2.gz ZSZIZEMRZGPSBK-UHFFFAOYSA-N -1 3 317.776 3.187 20 10 DGCDHM Cc1cccc(C)c1CCNC(=O)NCc1c([O-])cccc1F ZINC001678753780 1198723265 /nfs/dbraw/zinc/72/32/65/1198723265.db2.gz UEYHJDRCHXTUMK-UHFFFAOYSA-N -1 3 316.376 3.190 20 10 DGCDHM CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1(C)C ZINC001591695726 975524246 /nfs/dbraw/zinc/52/42/46/975524246.db2.gz JNQOHXGHWZNAHJ-HFBAOOFYSA-N -1 3 321.417 3.333 20 10 DGCDHM CCC[N@H+](Cc1cc(C(=O)[O-])c(CC)[nH]1)Cc1ccccc1[O-] ZINC001595885996 982913175 /nfs/dbraw/zinc/91/31/75/982913175.db2.gz RKMNAGALZXJGCY-UHFFFAOYSA-N -1 3 316.401 3.393 20 10 DGCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])c(CC)[nH]1)Cc1ccccc1[O-] ZINC001595885996 982913177 /nfs/dbraw/zinc/91/31/77/982913177.db2.gz RKMNAGALZXJGCY-UHFFFAOYSA-N -1 3 316.401 3.393 20 10 DGCDHM CC(C)(C(=O)[O-])[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC001589601206 987425607 /nfs/dbraw/zinc/42/56/07/987425607.db2.gz ISLBQPSJHRDFOK-INIZCTEOSA-N -1 3 317.360 3.473 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2csc(C(=O)[O-])c2)cc1 ZINC001598519047 992655903 /nfs/dbraw/zinc/65/59/03/992655903.db2.gz FQTBMTXYPIGZJT-UHFFFAOYSA-N -1 3 304.415 3.144 20 10 DGCDHM C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234252 994398796 /nfs/dbraw/zinc/39/87/96/994398796.db2.gz WSECLDSJYSEOBM-TZMCWYRMSA-N -1 3 319.401 3.233 20 10 DGCDHM COCc1csc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC001599299664 997208036 /nfs/dbraw/zinc/20/80/36/997208036.db2.gz CCBIHRGSXGKUKA-JTQLQIEISA-N -1 3 321.398 3.149 20 10 DGCDHM C[C@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1nnc(C(F)(F)F)[n-]1 ZINC001184001571 1084085526 /nfs/dbraw/zinc/08/55/26/1084085526.db2.gz DLWFWTVLKOYASE-LURJTMIESA-N -1 3 320.702 3.033 20 10 DGCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1SC ZINC001141984372 1086622179 /nfs/dbraw/zinc/62/21/79/1086622179.db2.gz LIHWHULWQNMFPI-UHFFFAOYSA-N -1 3 319.382 3.389 20 10 DGCDHM COc1cc([O-])c(CN2CC3(C2)C[C@@H](F)CS3)cc1Cl ZINC001232269206 1087588559 /nfs/dbraw/zinc/58/85/59/1087588559.db2.gz SVECTXVHSNEBKS-SNVBAGLBSA-N -1 3 317.813 3.084 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@@](C)(F)[C@H](F)C2)cc1Cl ZINC001232267106 1087588604 /nfs/dbraw/zinc/58/86/04/1087588604.db2.gz WJGINZJBLOHJAD-ZIAGYGMSSA-N -1 3 305.752 3.326 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@](C)(C(F)F)O1 ZINC000698930094 1087708295 /nfs/dbraw/zinc/70/82/95/1087708295.db2.gz YRDBZNBOBKENDQ-XPTSAGLGSA-N -1 3 305.752 3.290 20 10 DGCDHM CCC1(O)CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236798686 1089901263 /nfs/dbraw/zinc/90/12/63/1089901263.db2.gz KIHUSHLNIIHAPH-UHFFFAOYSA-N -1 3 304.217 3.436 20 10 DGCDHM COc1ccnc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724623 1090088556 /nfs/dbraw/zinc/08/85/56/1090088556.db2.gz PKLXLMQUZGYNTR-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM COc1cccc(CN(C)Cc2c([O-])cccc2F)c1OC ZINC001137840075 1091219034 /nfs/dbraw/zinc/21/90/34/1091219034.db2.gz RBQLWPJRYMFMHK-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCCC[C@@H](F)C1 ZINC001139126882 1091459937 /nfs/dbraw/zinc/45/99/37/1091459937.db2.gz SWXVLLQHNJICHM-GFCCVEGCSA-N -1 3 305.349 3.131 20 10 DGCDHM CNC(=O)c1ccc(NCc2ccc(Cl)cc2[O-])c(C)c1 ZINC001206214777 1091538232 /nfs/dbraw/zinc/53/82/32/1091538232.db2.gz DCXYWBZQJSOVJE-UHFFFAOYSA-N -1 3 304.777 3.326 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001140060003 1091753703 /nfs/dbraw/zinc/75/37/03/1091753703.db2.gz FXLRNKRUHPJICB-CYBMUJFWSA-N -1 3 315.270 3.388 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCc2occc2C1 ZINC001140103599 1091768611 /nfs/dbraw/zinc/76/86/11/1091768611.db2.gz QOIHWNWVCLWSNE-UHFFFAOYSA-N -1 3 308.175 3.306 20 10 DGCDHM CN(Cc1cncs1)Cc1c([O-])cccc1Br ZINC001140103269 1091768942 /nfs/dbraw/zinc/76/89/42/1091768942.db2.gz HCGNXZGWDQJGKT-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM COC(=O)c1ccc(Cl)c(CNCc2c([O-])cccc2F)c1 ZINC001207621052 1092045165 /nfs/dbraw/zinc/04/51/65/1092045165.db2.gz BXQVWWOBHXJCEG-UHFFFAOYSA-N -1 3 323.751 3.261 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@@H]1COCc1ccccc1 ZINC001142524975 1092493529 /nfs/dbraw/zinc/49/35/29/1092493529.db2.gz RMEMAAMKVFUJAH-OAHLLOKOSA-N -1 3 319.351 3.462 20 10 DGCDHM Cc1ccc(O[C@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)nc1 ZINC001142530186 1092493897 /nfs/dbraw/zinc/49/38/97/1092493897.db2.gz ADUCVBZDWSVOJP-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC001142531337 1092497238 /nfs/dbraw/zinc/49/72/38/1092497238.db2.gz VFDZUZBTYRQRMB-AWEZNQCLSA-N -1 3 323.314 3.463 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cnc(F)c(Cl)c1 ZINC001209620312 1092851402 /nfs/dbraw/zinc/85/14/02/1092851402.db2.gz WGWHXGBNMSBAGU-UHFFFAOYSA-N -1 3 313.691 3.041 20 10 DGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1N(C)C ZINC001214519104 1093789544 /nfs/dbraw/zinc/78/95/44/1093789544.db2.gz WREOTNTWIWRLLU-UHFFFAOYSA-N -1 3 317.364 3.227 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc3ccncc32)no1 ZINC001215145642 1093926752 /nfs/dbraw/zinc/92/67/52/1093926752.db2.gz ADNSGJOPIXUJPC-UHFFFAOYSA-N -1 3 305.293 3.363 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc(Cl)c3)no2)cc1O ZINC001215327617 1093961650 /nfs/dbraw/zinc/96/16/50/1093961650.db2.gz KVBCHVPTOXLTCI-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001221617415 1095314176 /nfs/dbraw/zinc/31/41/76/1095314176.db2.gz PMOWKAIDSYBUAV-LLVKDONJSA-N -1 3 320.339 3.273 20 10 DGCDHM O=C(Nc1ccc(-c2cccnc2)cc1)c1cc(O)c([O-])c(O)c1 ZINC001148587624 1096407271 /nfs/dbraw/zinc/40/72/71/1096407271.db2.gz JSJCAPUPCPJGIJ-UHFFFAOYSA-N -1 3 322.320 3.118 20 10 DGCDHM CC(C)C[C@H](NC(=O)c1cc(O)c([O-])c(O)c1)c1ccccc1 ZINC001148589640 1096408773 /nfs/dbraw/zinc/40/87/73/1096408773.db2.gz FUUFQQWUDDONQR-AWEZNQCLSA-N -1 3 315.369 3.321 20 10 DGCDHM C[C@@H]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)[C@H]1C ZINC001227439340 1096933189 /nfs/dbraw/zinc/93/31/89/1096933189.db2.gz WCORREYKDUBYEN-AGIUHOORSA-N -1 3 308.397 3.403 20 10 DGCDHM CCOC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227938506 1097016951 /nfs/dbraw/zinc/01/69/51/1097016951.db2.gz VSRPAIDSOKHUIC-GFCCVEGCSA-N -1 3 316.353 3.133 20 10 DGCDHM Cc1cc([O-])c(CN2CCOC[C@H]2c2cccnc2)cc1Cl ZINC001231870149 1097870475 /nfs/dbraw/zinc/87/04/75/1097870475.db2.gz LTLOLQZAQPAXLY-INIZCTEOSA-N -1 3 318.804 3.323 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(Cc3ccco3)CC2)cc1Cl ZINC001231870446 1097871229 /nfs/dbraw/zinc/87/12/29/1097871229.db2.gz BKILXSMPNZLWEF-UHFFFAOYSA-N -1 3 320.820 3.265 20 10 DGCDHM O=C1CCN(Cc2cc(Cl)c([O-])cc2O)[C@H]2CCCC[C@@H]12 ZINC001232258640 1097983269 /nfs/dbraw/zinc/98/32/69/1097983269.db2.gz BPGGKLRPQITAJF-YPMHNXCESA-N -1 3 309.793 3.085 20 10 DGCDHM [O-]c1cc(O)c(CN2CCc3c(F)cccc3C2)cc1Cl ZINC001232262379 1097984517 /nfs/dbraw/zinc/98/45/17/1097984517.db2.gz FKSZDBPYTPDFQL-UHFFFAOYSA-N -1 3 307.752 3.449 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@H]3CCCC[C@@H]32)cc1Cl ZINC001232266956 1097987481 /nfs/dbraw/zinc/98/74/81/1097987481.db2.gz TWDYVTAGRBOMHC-JSGCOSHPSA-N -1 3 323.820 3.388 20 10 DGCDHM O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1Nc1ncc[nH]1 ZINC001176084156 1098244631 /nfs/dbraw/zinc/24/46/31/1098244631.db2.gz LNAZFCFMUYCXLF-UHFFFAOYSA-N -1 3 321.336 3.011 20 10 DGCDHM O=C1c2ccccc2[C@@H]2CN(Cc3c([O-])ccc(F)c3F)C[C@H]12 ZINC001233332512 1098291368 /nfs/dbraw/zinc/29/13/68/1098291368.db2.gz NLKAOTGNPXWHLE-STQMWFEESA-N -1 3 315.319 3.082 20 10 DGCDHM CN1CCN(Cc2c([O-])ccc(F)c2F)[C@H](c2ccccc2)C1 ZINC001233331609 1098292474 /nfs/dbraw/zinc/29/24/74/1098292474.db2.gz DBIZBAYFKBQBSY-INIZCTEOSA-N -1 3 318.367 3.159 20 10 DGCDHM [O-]c1c(CN2CC(c3cccnc3)C2)cccc1C(F)(F)F ZINC001233418412 1098326463 /nfs/dbraw/zinc/32/64/63/1098326463.db2.gz GIJINCKSEORHQV-UHFFFAOYSA-N -1 3 308.303 3.405 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC2(CC2)C1 ZINC001235059265 1098779374 /nfs/dbraw/zinc/77/93/74/1098779374.db2.gz SNHWEYUVEBTJGR-UHFFFAOYSA-N -1 3 300.171 3.280 20 10 DGCDHM Cc1cc(C)c(OCC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001178409196 1098825672 /nfs/dbraw/zinc/82/56/72/1098825672.db2.gz ABRXCLDZEQIUAC-UHFFFAOYSA-N -1 3 317.360 3.152 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC001178413705 1098827638 /nfs/dbraw/zinc/82/76/38/1098827638.db2.gz XANXJGLLAQIIDY-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1csc(-c2ccoc2)n1 ZINC001178413664 1098827922 /nfs/dbraw/zinc/82/79/22/1098827922.db2.gz VPEUDEOIGBUSHA-UHFFFAOYSA-N -1 3 318.329 3.178 20 10 DGCDHM C[C@@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])[C@H]1CO ZINC001236794142 1099788878 /nfs/dbraw/zinc/78/88/78/1099788878.db2.gz QEEATGNXDMPRRV-RNCFNFMXSA-N -1 3 304.217 3.292 20 10 DGCDHM COc1ccc(CN2CC[C@H](C(F)(F)F)C2)c([O-])c1Cl ZINC001236812588 1099802660 /nfs/dbraw/zinc/80/26/60/1099802660.db2.gz ZOMAMBGPIHWOLV-VIFPVBQESA-N -1 3 309.715 3.438 20 10 DGCDHM COc1cc([O-])c(CN2C[C@H](F)C[C@H]2C)c(Br)c1 ZINC001237063535 1099953614 /nfs/dbraw/zinc/95/36/14/1099953614.db2.gz SYNQXMDGLCOUHV-RKDXNWHRSA-N -1 3 318.186 3.096 20 10 DGCDHM CCOCC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237621885 1100192401 /nfs/dbraw/zinc/19/24/01/1100192401.db2.gz IEYURFIGQHLBGC-UHFFFAOYSA-N -1 3 301.789 3.433 20 10 DGCDHM Cc1cc([O-])c(CN2Cc3cccnc3C2)cc1Br ZINC001237676286 1100210735 /nfs/dbraw/zinc/21/07/35/1100210735.db2.gz HYOOFIFREUXJGC-UHFFFAOYSA-N -1 3 319.202 3.374 20 10 DGCDHM Cc1cc([O-])c(CN2CC(C(F)F)C2)cc1Br ZINC001237685113 1100214658 /nfs/dbraw/zinc/21/46/58/1100214658.db2.gz OEDTYEICSGWWGH-UHFFFAOYSA-N -1 3 306.150 3.160 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001237801367 1100250629 /nfs/dbraw/zinc/25/06/29/1100250629.db2.gz HNRMFDWDFFWBAA-CQSZACIVSA-N -1 3 322.767 3.233 20 10 DGCDHM Cc1cc[nH]c1C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001195500006 1101150884 /nfs/dbraw/zinc/15/08/84/1101150884.db2.gz QEEQLJCFMDWGFJ-UHFFFAOYSA-N -1 3 315.760 3.160 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1ccn(-c2ccccc2)n1 ZINC001199811842 1102219441 /nfs/dbraw/zinc/21/94/41/1102219441.db2.gz DNIPAOWWORLLJE-UHFFFAOYSA-N -1 3 315.323 3.146 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(C(=O)CC(C)C)CC2)c(Cl)c1 ZINC001325580301 1103073464 /nfs/dbraw/zinc/07/34/64/1103073464.db2.gz BBGLLZWQYFUUKP-UHFFFAOYSA-N -1 3 324.852 3.044 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](C(F)(F)F)CC1 ZINC000687288149 1103091812 /nfs/dbraw/zinc/09/18/12/1103091812.db2.gz QXQVRLZVQALMRJ-GFCCVEGCSA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001299479721 1104699419 /nfs/dbraw/zinc/69/94/19/1104699419.db2.gz ZGHFAPZHGRXNEJ-AWEZNQCLSA-N -1 3 312.413 3.128 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CCNC(=O)C2(C)C)cc1Cl ZINC001248883405 1105186448 /nfs/dbraw/zinc/18/64/48/1105186448.db2.gz GGHJLWMFMOVWRF-UHFFFAOYSA-N -1 3 324.852 3.054 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC2(CCN2C2CCCC2)C1 ZINC001276379943 1105535195 /nfs/dbraw/zinc/53/51/95/1105535195.db2.gz CFILEMSHEUOTJW-UHFFFAOYSA-N -1 3 306.837 3.248 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(Cc3ccccc3Cl)o2)cc1O ZINC001254336101 1106056599 /nfs/dbraw/zinc/05/65/99/1106056599.db2.gz TYXMYUZDXVWNIZ-UHFFFAOYSA-N -1 3 318.716 3.098 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(Cc2ccccc2Cl)o1 ZINC001254336120 1106056610 /nfs/dbraw/zinc/05/66/10/1106056610.db2.gz UTPHDMTUGJPYLY-UHFFFAOYSA-N -1 3 318.716 3.098 20 10 DGCDHM [O-]c1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)nc1 ZINC001256941187 1106514624 /nfs/dbraw/zinc/51/46/24/1106514624.db2.gz SVDZZMSGQVZWIH-UHFFFAOYSA-N -1 3 304.309 3.295 20 10 DGCDHM Cc1ccc([C@@H]2C[C@H]2c2nnc(-c3ccc(O)c(O)c3[O-])o2)cc1 ZINC001257209712 1106551953 /nfs/dbraw/zinc/55/19/53/1106551953.db2.gz NZWAIUSAKOQFNT-QWHCGFSZSA-N -1 3 324.336 3.433 20 10 DGCDHM Cc1ccc([N-]S(=O)(=O)C2CC2)c(C(=O)c2ccccc2)c1 ZINC001259276541 1107114825 /nfs/dbraw/zinc/11/48/25/1107114825.db2.gz RBARQJQAFMXKOF-UHFFFAOYSA-N -1 3 315.394 3.130 20 10 DGCDHM O=S(=O)(Cc1ccccc1Cl)Nc1ccc([O-])c(F)c1 ZINC001260694233 1107298023 /nfs/dbraw/zinc/29/80/23/1107298023.db2.gz DXTSYKCQHJWPBE-UHFFFAOYSA-N -1 3 315.753 3.127 20 10 DGCDHM Cc1cc(NC(=O)c2cccc(O)c2[O-])cnc1C(F)(F)F ZINC001301521694 1111094259 /nfs/dbraw/zinc/09/42/59/1111094259.db2.gz NMEBNVUHFYZGIQ-UHFFFAOYSA-N -1 3 312.247 3.072 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccn1Cc1ccccc1 ZINC001303878701 1111156611 /nfs/dbraw/zinc/15/66/11/1111156611.db2.gz RDAXWARTDRMDTK-UHFFFAOYSA-N -1 3 324.355 3.311 20 10 DGCDHM Cc1noc(Cc2ccc(NCc3cccc(F)c3[O-])cc2)n1 ZINC001308963230 1111500569 /nfs/dbraw/zinc/50/05/69/1111500569.db2.gz PJGHBOMLJCYNRN-UHFFFAOYSA-N -1 3 313.332 3.426 20 10 DGCDHM CCCC(=O)NC[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179931869 432074773 /nfs/dbraw/zinc/07/47/73/432074773.db2.gz JQCAVNFELYHIHZ-ZDUSSCGKSA-N -1 3 324.852 3.174 20 10 DGCDHM C[C@@H](N[C@H]1CCCc2c1cnn2C)c1ccc(F)c(F)c1[O-] ZINC000276997207 296163758 /nfs/dbraw/zinc/16/37/58/296163758.db2.gz YRAWUODMFQJFGU-RNCFNFMXSA-N -1 3 307.344 3.132 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@H](c3ccccc3F)C2)c([O-])c1O ZINC000272718759 130057257 /nfs/dbraw/zinc/05/72/57/130057257.db2.gz DYHZHOLNOBHKHE-LBPRGKRZSA-N -1 3 315.344 3.175 20 10 DGCDHM C[C@@H](N[C@@H](C)c1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000273563782 130137097 /nfs/dbraw/zinc/13/70/97/130137097.db2.gz IUCJTWOJHGFIKU-VHSXEESVSA-N -1 3 324.222 3.300 20 10 DGCDHM COc1ccc(CN[C@H](C)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000273621335 130144957 /nfs/dbraw/zinc/14/49/57/130144957.db2.gz ZBZZFGVZSKJVCA-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM CC[C@@H](c1cccc(OC)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000288739981 131337611 /nfs/dbraw/zinc/33/76/11/131337611.db2.gz ZVPUWONLULXUJZ-HNNXBMFYSA-N -1 3 315.369 3.330 20 10 DGCDHM COCCCN(Cc1ccncc1)Cc1cccc(Cl)c1[O-] ZINC000289380485 131380904 /nfs/dbraw/zinc/38/09/04/131380904.db2.gz CKAKPGXNABVLEF-UHFFFAOYSA-N -1 3 320.820 3.479 20 10 DGCDHM C[C@@H](N[C@H]1CCc2c1cccc2O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273469106 287071175 /nfs/dbraw/zinc/07/11/75/287071175.db2.gz FGJVEUUEOGMTHC-BMIGLBTASA-N -1 3 314.341 3.344 20 10 DGCDHM CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588298 288060980 /nfs/dbraw/zinc/06/09/80/288060980.db2.gz OKANEGXOUXJABF-NHYWBVRUSA-N -1 3 301.346 3.497 20 10 DGCDHM CCN(C(=O)CN(C)Cc1ccccc1[O-])C1CCCCC1 ZINC000109772942 431179405 /nfs/dbraw/zinc/17/94/05/431179405.db2.gz JUAKVZPKFIXRRP-UHFFFAOYSA-N -1 3 304.434 3.005 20 10 DGCDHM Cc1noc(C)c1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070975948 431266936 /nfs/dbraw/zinc/26/69/36/431266936.db2.gz VHFHHIVDCDEVJA-MRXNPFEDSA-N -1 3 316.401 3.178 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)C ZINC000075416575 431475087 /nfs/dbraw/zinc/47/50/87/431475087.db2.gz NCNUSNSEHLQXFH-UHFFFAOYSA-N -1 3 300.196 3.159 20 10 DGCDHM CN(Cc1cc(Cl)ccc1[O-])[C@@H]1CCCc2c1cnn2C ZINC000093863971 431918910 /nfs/dbraw/zinc/91/89/10/431918910.db2.gz GZTPESCRXRKYMU-CQSZACIVSA-N -1 3 305.809 3.289 20 10 DGCDHM CCOC(=O)C1CCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000183463908 432296178 /nfs/dbraw/zinc/29/61/78/432296178.db2.gz VQQBMHGGLCFKMP-UHFFFAOYSA-N -1 3 311.809 3.129 20 10 DGCDHM Cc1ccc(C(=O)N(C)c2ccc(OC(C)C)cc2)c([O-])c1O ZINC000192263147 432352033 /nfs/dbraw/zinc/35/20/33/432352033.db2.gz XKPOLCRWLSZKDM-UHFFFAOYSA-N -1 3 315.369 3.470 20 10 DGCDHM Cc1nc(CCN(C)Cc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000271207950 432354645 /nfs/dbraw/zinc/35/46/45/432354645.db2.gz ZDKSLSCKYIUUAA-UHFFFAOYSA-N -1 3 316.188 3.065 20 10 DGCDHM C[C@@H](NCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192721000 432404836 /nfs/dbraw/zinc/40/48/36/432404836.db2.gz RJCXILQNYFWRML-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000193068821 432445483 /nfs/dbraw/zinc/44/54/83/432445483.db2.gz XBTHQMVMMATXNQ-LJQANCHMSA-N -1 3 311.381 3.292 20 10 DGCDHM C[C@H](NCC1(C)OCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193065709 432446164 /nfs/dbraw/zinc/44/61/64/432446164.db2.gz OTZZUBXQOZAYAH-QMMMGPOBSA-N -1 3 306.189 3.113 20 10 DGCDHM COc1ccccc1CN(CCO)Cc1cccc(Cl)c1[O-] ZINC000271710612 432421668 /nfs/dbraw/zinc/42/16/68/432421668.db2.gz GVKGSKMVEFZQNH-UHFFFAOYSA-N -1 3 321.804 3.049 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cc(F)ccc1[O-] ZINC000185350913 432494254 /nfs/dbraw/zinc/49/42/54/432494254.db2.gz IZRGUDQPFFKTHI-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM C[C@H](NCC1(C)OCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186212084 432569562 /nfs/dbraw/zinc/56/95/62/432569562.db2.gz PQGZXZCMVNOJQW-QMMMGPOBSA-N -1 3 306.189 3.113 20 10 DGCDHM C[C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2c([O-])cccc21 ZINC000186306280 432579133 /nfs/dbraw/zinc/57/91/33/432579133.db2.gz CEMQBGOWOXHRQK-BTDICHCPSA-N -1 3 312.344 3.480 20 10 DGCDHM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000187059895 432644661 /nfs/dbraw/zinc/64/46/61/432644661.db2.gz GJCRPXHGNTUIIJ-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM Cc1nc2c(s1)[C@H](N(C)C(=O)c1cccc(O)c1[O-])CCC2 ZINC000188472671 432726627 /nfs/dbraw/zinc/72/66/27/432726627.db2.gz OVIUYTNLNMECJG-GFCCVEGCSA-N -1 3 318.398 3.012 20 10 DGCDHM C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279255630 432950825 /nfs/dbraw/zinc/95/08/25/432950825.db2.gz IRDIDQALHSYHTN-ZFWWWQNUSA-N -1 3 311.381 3.191 20 10 DGCDHM CN(C(=O)c1cccc(O)c1[O-])[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000290700049 433144345 /nfs/dbraw/zinc/14/43/45/433144345.db2.gz SPVBZZBZAZLNJO-AOOOYVTPSA-N -1 3 317.307 3.291 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C23CCCC3)c1[O-] ZINC000292572965 433581032 /nfs/dbraw/zinc/58/10/32/433581032.db2.gz BVZUZFXFXXQTOG-HNNXBMFYSA-N -1 3 323.820 3.128 20 10 DGCDHM COCc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273391220 293302979 /nfs/dbraw/zinc/30/29/79/293302979.db2.gz KUSGNUZWGPOYED-LBPRGKRZSA-N -1 3 316.357 3.298 20 10 DGCDHM COCc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273299377 293317076 /nfs/dbraw/zinc/31/70/76/293317076.db2.gz AZCVLIVDVAEIAO-LBPRGKRZSA-N -1 3 316.357 3.298 20 10 DGCDHM CN1Cc2ccccc2[C@@H](NCc2cccc(Cl)c2[O-])C1 ZINC000359900217 434451416 /nfs/dbraw/zinc/45/14/16/434451416.db2.gz OMEOPGLIIGSKSC-INIZCTEOSA-N -1 3 302.805 3.322 20 10 DGCDHM CCn1cc([C@H](C)NCc2cc(Cl)cc(C(C)=O)c2[O-])cn1 ZINC000296159550 434527309 /nfs/dbraw/zinc/52/73/09/434527309.db2.gz SRZQVCGGZZXHAU-JTQLQIEISA-N -1 3 321.808 3.315 20 10 DGCDHM CCn1ccnc1[C@@H]1CCCCN1Cc1cc(F)ccc1[O-] ZINC000370703163 434618150 /nfs/dbraw/zinc/61/81/50/434618150.db2.gz YVNJHXIWHMKFMN-HNNXBMFYSA-N -1 3 303.381 3.475 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278403396 334096212 /nfs/dbraw/zinc/09/62/12/334096212.db2.gz OPBBWOZGMKOOCK-ZWNOBZJWSA-N -1 3 323.742 3.181 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCc1cccc2c1OCCCO2 ZINC000128494375 526366050 /nfs/dbraw/zinc/36/60/50/526366050.db2.gz NZDGOADGEJOQTL-UHFFFAOYSA-N -1 3 319.788 3.497 20 10 DGCDHM CC[C@H](NCc1nnc2n1CCCCC2)c1ccc(F)cc1[O-] ZINC000285580820 535923815 /nfs/dbraw/zinc/92/38/15/535923815.db2.gz INCZLCLZKULTMT-AWEZNQCLSA-N -1 3 318.396 3.090 20 10 DGCDHM CCc1cnc(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000273588335 536052034 /nfs/dbraw/zinc/05/20/34/536052034.db2.gz OKQRGDYPLNTJEJ-JTQLQIEISA-N -1 3 320.414 3.049 20 10 DGCDHM O=C(NCCc1ccc(OC(F)F)cc1)c1cc([O-])cs1 ZINC000731864546 574560533 /nfs/dbraw/zinc/56/05/33/574560533.db2.gz WHMFCRYTWQDBHE-UHFFFAOYSA-N -1 3 313.325 3.028 20 10 DGCDHM CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000731873793 574560586 /nfs/dbraw/zinc/56/05/86/574560586.db2.gz USQYAIYUQDBTAI-SNVBAGLBSA-N -1 3 315.398 3.314 20 10 DGCDHM CN(CCOc1cccc(Cl)c1)C(=O)c1cc([O-])cs1 ZINC000731865574 574560676 /nfs/dbraw/zinc/56/06/76/574560676.db2.gz NFXOLHDLLLABEB-UHFFFAOYSA-N -1 3 311.790 3.258 20 10 DGCDHM CCN(CCCNC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731865568 574560696 /nfs/dbraw/zinc/56/06/96/574560696.db2.gz NFCRCXHKVZCAMQ-UHFFFAOYSA-N -1 3 304.415 3.100 20 10 DGCDHM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)cc1 ZINC000731910653 574561752 /nfs/dbraw/zinc/56/17/52/574561752.db2.gz VDIWTVNOQHKLOO-SNVBAGLBSA-N -1 3 304.367 3.444 20 10 DGCDHM CCN(CC)c1ccc(CNC(=O)c2cc([O-])cs2)cc1F ZINC000732290086 574570914 /nfs/dbraw/zinc/57/09/14/574570914.db2.gz HWWUIWYHWYZMKY-UHFFFAOYSA-N -1 3 322.405 3.369 20 10 DGCDHM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000732276619 574570239 /nfs/dbraw/zinc/57/02/39/574570239.db2.gz NBKGVWFBVPJIGN-JTQLQIEISA-N -1 3 318.398 3.234 20 10 DGCDHM O=C(NC[C@@H](O)c1ccc2ccccc2c1)c1cc([O-])cs1 ZINC000732290786 574571113 /nfs/dbraw/zinc/57/11/13/574571113.db2.gz AYPTULDOSPMILM-OAHLLOKOSA-N -1 3 313.378 3.070 20 10 DGCDHM CC(C)Oc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000732353897 574572181 /nfs/dbraw/zinc/57/21/81/574572181.db2.gz CPYDAYJUMDNGMQ-UHFFFAOYSA-N -1 3 320.366 3.281 20 10 DGCDHM CC(C)N(Cc1cc(C(=O)[O-])co1)Cc1ccc(N(C)C)cc1 ZINC000736470866 574754540 /nfs/dbraw/zinc/75/45/40/574754540.db2.gz BAQCZUMXDNBCHA-UHFFFAOYSA-N -1 3 316.401 3.454 20 10 DGCDHM C[C@@H](C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C1CC1)C(=O)[O-] ZINC000736584030 574759980 /nfs/dbraw/zinc/75/99/80/574759980.db2.gz OLJWDYYOYFUGRZ-NSHDSACASA-N -1 3 321.417 3.080 20 10 DGCDHM C[C@@H](C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1[O-])C1CC1)C(=O)[O-] ZINC000736584030 574759983 /nfs/dbraw/zinc/75/99/83/574759983.db2.gz OLJWDYYOYFUGRZ-NSHDSACASA-N -1 3 321.417 3.080 20 10 DGCDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493654 574848335 /nfs/dbraw/zinc/84/83/35/574848335.db2.gz HEZQYDCNWSTRSR-HNNXBMFYSA-N -1 3 305.761 3.303 20 10 DGCDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1cccc(Cl)c1 ZINC000737493654 574848336 /nfs/dbraw/zinc/84/83/36/574848336.db2.gz HEZQYDCNWSTRSR-HNNXBMFYSA-N -1 3 305.761 3.303 20 10 DGCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1cccc(Cl)c1 ZINC000739498682 574905134 /nfs/dbraw/zinc/90/51/34/574905134.db2.gz COGXTZCMMVEOPB-MRXNPFEDSA-N -1 3 317.772 3.190 20 10 DGCDHM COC(=O)C(C)(C)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000743642683 575059960 /nfs/dbraw/zinc/05/99/60/575059960.db2.gz VBMXHDCLJDVTHE-UHFFFAOYSA-N -1 3 319.382 3.157 20 10 DGCDHM CO[C@H](CNC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000743678560 575060499 /nfs/dbraw/zinc/06/04/99/575060499.db2.gz LZIISGLEGDDGSK-GFCCVEGCSA-N -1 3 311.790 3.225 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000743718366 575062183 /nfs/dbraw/zinc/06/21/83/575062183.db2.gz NMJUSGDMZLQUKV-CQSZACIVSA-N -1 3 317.410 3.133 20 10 DGCDHM CCCN(Cc1ccccc1[O-])Cc1nc2ccccc2c(=O)[nH]1 ZINC000728927326 575195546 /nfs/dbraw/zinc/19/55/46/575195546.db2.gz RKOFPECDRBOLDE-UHFFFAOYSA-N -1 3 323.396 3.453 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(Br)cc2)c([O-])c1O ZINC000751533842 575789521 /nfs/dbraw/zinc/78/95/21/575789521.db2.gz SPQGFKPIMFHPGE-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM Cc1cc(Cl)cc(C[NH+]2CCC(CCC(=O)[O-])CC2)c1[O-] ZINC000854241210 620786869 /nfs/dbraw/zinc/78/68/69/620786869.db2.gz IFJZLAPGLITXHE-UHFFFAOYSA-N -1 3 311.809 3.431 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CCOC(C2CC2)(C2CC2)C1 ZINC000895327391 618596111 /nfs/dbraw/zinc/59/61/11/618596111.db2.gz NCZKDWLJTXNHNN-UHFFFAOYSA-N -1 3 309.356 3.061 20 10 DGCDHM Cc1nc2sccn2c1CN(C)Cc1cc(F)cc(F)c1[O-] ZINC000893994674 618688388 /nfs/dbraw/zinc/68/83/88/618688388.db2.gz CMQXRKHEEOCSGN-UHFFFAOYSA-N -1 3 323.368 3.320 20 10 DGCDHM Cn1nc(C2CC2)cc1CNCc1cc(Cl)cc(F)c1[O-] ZINC000897223899 619032074 /nfs/dbraw/zinc/03/20/74/619032074.db2.gz AZZDIYQLAGFKMW-UHFFFAOYSA-N -1 3 309.772 3.085 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCCc2occc21 ZINC000914151917 620508979 /nfs/dbraw/zinc/50/89/79/620508979.db2.gz PSBUFYJKPSYCKP-ZDUSSCGKSA-N -1 3 304.321 3.001 20 10 DGCDHM Cc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)s1 ZINC000914330928 620520748 /nfs/dbraw/zinc/52/07/48/620520748.db2.gz GNQUQKUHOQXMSO-JTQLQIEISA-N -1 3 308.378 3.462 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN(CC2CC2)CC1 ZINC000768770888 620881492 /nfs/dbraw/zinc/88/14/92/620881492.db2.gz JULBEUBOJHWLDX-UHFFFAOYSA-N -1 3 315.244 3.227 20 10 DGCDHM O=C(Nc1ccc2c(c1)[C@@H](O)CCCC2)c1cccc(O)c1[O-] ZINC000855549328 620912154 /nfs/dbraw/zinc/91/21/54/620912154.db2.gz AXKACUGZBVSAMV-HNNXBMFYSA-N -1 3 313.353 3.110 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1CCCCC1(F)F ZINC000922658498 621075251 /nfs/dbraw/zinc/07/52/51/621075251.db2.gz PELLRWOODSAFLL-SNVBAGLBSA-N -1 3 316.323 3.156 20 10 DGCDHM Cc1cc([O-])c(CNCc2nc3c(s2)COCC3)c(Cl)c1 ZINC000922961690 621139572 /nfs/dbraw/zinc/13/95/72/621139572.db2.gz SLEGVFQFGAHZQW-UHFFFAOYSA-N -1 3 324.833 3.173 20 10 DGCDHM C[C@H]1CCN(Cc2c([O-])cccc2Br)C[C@H]1F ZINC000862302134 621573128 /nfs/dbraw/zinc/57/31/28/621573128.db2.gz XFJZYEUWWDZTCH-JOYOIKCWSA-N -1 3 302.187 3.335 20 10 DGCDHM Cc1cc(C2(NCc3cccc(Cl)c3[O-])CCOCC2)on1 ZINC000862541952 621599221 /nfs/dbraw/zinc/59/92/21/621599221.db2.gz AQUYFPGYRQECQD-UHFFFAOYSA-N -1 3 322.792 3.138 20 10 DGCDHM C[C@@H](NCc1cccc2c1OCO2)c1cc(F)cc(F)c1[O-] ZINC000756462841 621639980 /nfs/dbraw/zinc/63/99/80/621639980.db2.gz YFZCRBXZPKGNTI-SECBINFHSA-N -1 3 307.296 3.250 20 10 DGCDHM Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756570317 621650074 /nfs/dbraw/zinc/65/00/74/621650074.db2.gz AMIYDXSZHNHNQK-IUCAKERBSA-N -1 3 305.334 3.317 20 10 DGCDHM C[C@@H](NCc1nn(C)cc1C(F)F)c1cc(F)cc(F)c1[O-] ZINC000866566040 622139871 /nfs/dbraw/zinc/13/98/71/622139871.db2.gz WRLJRWYBRXKJIF-SSDOTTSWSA-N -1 3 317.286 3.192 20 10 DGCDHM CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C(C)(C)C1 ZINC000769446875 622528484 /nfs/dbraw/zinc/52/84/84/622528484.db2.gz OIAPVSXJGZIFIQ-UHFFFAOYSA-N -1 3 303.233 3.225 20 10 DGCDHM COc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])c2ncccc12 ZINC000771659691 622785111 /nfs/dbraw/zinc/78/51/11/622785111.db2.gz BKKVXHVYZLJLDE-UHFFFAOYSA-N -1 3 324.336 3.215 20 10 DGCDHM C[C@@H](Nc1cnn(CCO)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774305148 623129486 /nfs/dbraw/zinc/12/94/86/623129486.db2.gz ZQJCZLIVLLNKPY-MRVPVSSYSA-N -1 3 316.188 3.061 20 10 DGCDHM CCc1cc(=O)[n-]c(-c2ccc(NCc3ccccc3O)nc2)n1 ZINC000774524484 623155533 /nfs/dbraw/zinc/15/55/33/623155533.db2.gz UVZCNYFXCYQGPH-UHFFFAOYSA-N -1 3 322.368 3.124 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(C)CCC1 ZINC000774881304 623204094 /nfs/dbraw/zinc/20/40/94/623204094.db2.gz RIWWBFNJWOVDIH-UHFFFAOYSA-N -1 3 311.809 3.211 20 10 DGCDHM COc1c([O-])c(CNc2cc(C)ccc2F)ccc1[N+](=O)[O-] ZINC000774927442 623208575 /nfs/dbraw/zinc/20/85/75/623208575.db2.gz GWCZHYUUWGIMOU-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM Cn1c(CNCc2cccc(Cl)c2[O-])nc2cc(F)ccc21 ZINC000776213736 623397862 /nfs/dbraw/zinc/39/78/62/623397862.db2.gz GFZQZBKXFCOQID-UHFFFAOYSA-N -1 3 319.767 3.361 20 10 DGCDHM Cc1ccc(-c2cc(NC(=O)c3cccc(O)c3[O-])n[nH]2)s1 ZINC000776343626 623415125 /nfs/dbraw/zinc/41/51/25/623415125.db2.gz SDOAVDMWNOIVCR-UHFFFAOYSA-N -1 3 315.354 3.110 20 10 DGCDHM O=C(NC1(c2ccc(F)cc2F)CCC1)c1cccc(O)c1[O-] ZINC000776358049 623416398 /nfs/dbraw/zinc/41/63/98/623416398.db2.gz XVVPWOWSYZYDIJ-UHFFFAOYSA-N -1 3 319.307 3.185 20 10 DGCDHM C[C@@H]1CCN2[C@H](C1)C(=O)N[C@@H]2c1cc(-c2ccccc2)ccc1[O-] ZINC000777901502 623583013 /nfs/dbraw/zinc/58/30/13/623583013.db2.gz YXWDROSLVMXRIN-XVSDVWIESA-N -1 3 322.408 3.288 20 10 DGCDHM O=C(Nc1cccc(Br)c1)c1cccc(O)c1[O-] ZINC000126172277 623716013 /nfs/dbraw/zinc/71/60/13/623716013.db2.gz XAUPAUBZUIYVKX-UHFFFAOYSA-N -1 3 308.131 3.113 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C[C@H]1F ZINC000779148213 623735730 /nfs/dbraw/zinc/73/57/30/623735730.db2.gz GYBCNLOWEXVILV-BXKDBHETSA-N -1 3 302.187 3.335 20 10 DGCDHM O=C(NC1(c2ccc(F)cc2)CCC1)c1cccc(O)c1[O-] ZINC000790599481 625676242 /nfs/dbraw/zinc/67/62/42/625676242.db2.gz ZGAMTMVNNSDQFR-UHFFFAOYSA-N -1 3 301.317 3.046 20 10 DGCDHM [O-]c1c(CNCc2ccc3c(n2)CCCC3)ccc(F)c1F ZINC000877480449 623903348 /nfs/dbraw/zinc/90/33/48/623903348.db2.gz VWDHJFIOLRGLOT-UHFFFAOYSA-N -1 3 304.340 3.234 20 10 DGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1cccc(OC)c1 ZINC000780886205 623993678 /nfs/dbraw/zinc/99/36/78/623993678.db2.gz PGXVNKVMRDYDNR-UHFFFAOYSA-N -1 3 301.342 3.082 20 10 DGCDHM Cc1ccc(C(=O)Nc2n[nH]c3c2cccc3Cl)c([O-])c1O ZINC000780987316 624007986 /nfs/dbraw/zinc/00/79/86/624007986.db2.gz VWFLQXMGPCZOCC-UHFFFAOYSA-N -1 3 317.732 3.188 20 10 DGCDHM O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1[O-] ZINC000790767475 625694449 /nfs/dbraw/zinc/69/44/49/625694449.db2.gz LJSCYFBWTYDNJW-JOYOIKCWSA-N -1 3 321.735 3.176 20 10 DGCDHM C[C@H](c1ccccc1)n1ccc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790882960 625711855 /nfs/dbraw/zinc/71/18/55/625711855.db2.gz TZRBGRVHPPSDTB-GFCCVEGCSA-N -1 3 323.352 3.156 20 10 DGCDHM CCNC(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000127287370 624346516 /nfs/dbraw/zinc/34/65/16/624346516.db2.gz NARQMHGVQRWPSK-UHFFFAOYSA-N -1 3 304.777 3.407 20 10 DGCDHM O=C(Nc1ccc2c(cnn2C(F)F)c1)c1cccc(O)c1[O-] ZINC000790900255 625714240 /nfs/dbraw/zinc/71/42/40/625714240.db2.gz YBEHSLZVBFKHGL-UHFFFAOYSA-N -1 3 319.267 3.095 20 10 DGCDHM O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1cccc(O)c1[O-] ZINC000783852941 624400581 /nfs/dbraw/zinc/40/05/81/624400581.db2.gz YGELKWWMBRQPME-LSDHHAIUSA-N -1 3 311.381 3.239 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H](CO)c1cccc(F)c1 ZINC000790966353 625724669 /nfs/dbraw/zinc/72/46/69/625724669.db2.gz MAYXATSVLADYLR-ZDUSSCGKSA-N -1 3 313.731 3.147 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H](CO)c1ccsc1 ZINC000790989453 625731834 /nfs/dbraw/zinc/73/18/34/625731834.db2.gz DCRVKBDQFMVYFQ-LLVKDONJSA-N -1 3 301.770 3.069 20 10 DGCDHM [O-]c1ccc2oc3c(c2c1CN1CC(OC(F)F)C1)CCCC3 ZINC000797820839 626171158 /nfs/dbraw/zinc/17/11/58/626171158.db2.gz QAQONVROSHZNIN-UHFFFAOYSA-N -1 3 323.339 3.441 20 10 DGCDHM O=C(Nc1ccc(OC(F)F)cc1F)c1cccc(O)c1[O-] ZINC000801547499 626409216 /nfs/dbraw/zinc/40/92/16/626409216.db2.gz PUMVXAVQONPKFY-UHFFFAOYSA-N -1 3 313.231 3.091 20 10 DGCDHM Cn1ccnc1[C@@H]1N(Cc2c([O-])ccc3ccncc32)CC1(C)C ZINC000840110654 626765432 /nfs/dbraw/zinc/76/54/32/626765432.db2.gz SFNIIKAPOBDUEE-KRWDZBQOSA-N -1 3 322.412 3.257 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808093830 626792222 /nfs/dbraw/zinc/79/22/22/626792222.db2.gz VTSOGPBULZDTCG-UHFFFAOYSA-N -1 3 313.325 3.439 20 10 DGCDHM [O-]c1ccc2ccncc2c1CN1CC(F)(F)C(F)(F)C1 ZINC000840166011 626899232 /nfs/dbraw/zinc/89/92/32/626899232.db2.gz LHXJGNYRZLCERM-UHFFFAOYSA-N -1 3 300.255 3.027 20 10 DGCDHM CN(C)c1ccc(CNC(=O)c2cc([O-])ccc2Cl)cc1F ZINC000810265995 626995340 /nfs/dbraw/zinc/99/53/40/626995340.db2.gz SWZPQJHTWYZWNW-UHFFFAOYSA-N -1 3 322.767 3.181 20 10 DGCDHM COc1ccc(O)c([C@H](C)NC(=O)c2cc([O-])ccc2Cl)c1 ZINC000810348416 627002765 /nfs/dbraw/zinc/00/27/65/627002765.db2.gz VXQXEUUDFBXVPZ-VIFPVBQESA-N -1 3 321.760 3.251 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1O ZINC000136492104 627092683 /nfs/dbraw/zinc/09/26/83/627092683.db2.gz NEGCEVVPVOKRMB-UHFFFAOYSA-N -1 3 315.753 3.294 20 10 DGCDHM COc1nc(C)cc(C)c1CN[C@H](C)c1c([O-])cccc1F ZINC000886522429 627156835 /nfs/dbraw/zinc/15/68/35/627156835.db2.gz JABXLQODTNEFFH-GFCCVEGCSA-N -1 3 304.365 3.403 20 10 DGCDHM Cc1cc(CCNC(=O)c2cccc(O)c2[O-])ccc1Cl ZINC000812585991 627400265 /nfs/dbraw/zinc/40/02/65/627400265.db2.gz OAZIDAWJULTGMC-UHFFFAOYSA-N -1 3 305.761 3.032 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000924331663 627629552 /nfs/dbraw/zinc/62/95/52/627629552.db2.gz HGNRPCLGXBFPKE-YOGCLGLASA-N -1 3 324.421 3.005 20 10 DGCDHM [O-]c1c(CN2CCO[C@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513779 627799188 /nfs/dbraw/zinc/79/91/88/627799188.db2.gz BKOUKNGAHJGBDK-AWEZNQCLSA-N -1 3 311.303 3.309 20 10 DGCDHM C[C@H](NCc1ccc2ccccc2c1[O-])C(=O)OC(C)(C)C ZINC000816528888 627802997 /nfs/dbraw/zinc/80/29/97/627802997.db2.gz WBNRABHWAZHJAM-LBPRGKRZSA-N -1 3 301.386 3.365 20 10 DGCDHM COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c([O-])c1 ZINC000816597128 627812839 /nfs/dbraw/zinc/81/28/39/627812839.db2.gz FSMCBSKBPWHRNB-UHFFFAOYSA-N -1 3 311.740 3.189 20 10 DGCDHM [O-]c1ccc(F)cc1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC000816667988 627823809 /nfs/dbraw/zinc/82/38/09/627823809.db2.gz BKXCSMGYCFHGLW-UHFFFAOYSA-N -1 3 309.344 3.233 20 10 DGCDHM C[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412544 627896266 /nfs/dbraw/zinc/89/62/66/627896266.db2.gz MJWQCBXQVVECKO-ZJUUUORDSA-N -1 3 304.217 3.149 20 10 DGCDHM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1cccc(O)c1[O-] ZINC000819255279 628121688 /nfs/dbraw/zinc/12/16/88/628121688.db2.gz XAIGKNPYJSMDIJ-XYPYZODXSA-N -1 3 317.772 3.427 20 10 DGCDHM CC(C)(Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC000928706270 628179502 /nfs/dbraw/zinc/17/95/02/628179502.db2.gz UEUYQDOSFOLBMM-UHFFFAOYSA-N -1 3 301.361 3.416 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000928706750 628179712 /nfs/dbraw/zinc/17/97/12/628179712.db2.gz ZBZVPHFTSVSHQF-HNAYVOBHSA-N -1 3 311.356 3.052 20 10 DGCDHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2c([O-])cccc2F)o1 ZINC000928710227 628180041 /nfs/dbraw/zinc/18/00/41/628180041.db2.gz QOMWMRHXBQWRNL-AAEUAGOBSA-N -1 3 317.360 3.497 20 10 DGCDHM COc1ccc(C(=O)NCc2c([O-])cccc2F)cc1C1CC1 ZINC000928708245 628180046 /nfs/dbraw/zinc/18/00/46/628180046.db2.gz JHZWIQIIUBYUJL-UHFFFAOYSA-N -1 3 315.344 3.347 20 10 DGCDHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2c([O-])cccc2F)o1 ZINC000928710228 628180341 /nfs/dbraw/zinc/18/03/41/628180341.db2.gz QOMWMRHXBQWRNL-DGCLKSJQSA-N -1 3 317.360 3.497 20 10 DGCDHM CN(Cc1nccs1)Cc1ccc(Br)cc1[O-] ZINC000824849910 628699955 /nfs/dbraw/zinc/69/99/55/628699955.db2.gz IPCOHPBALSWYAJ-UHFFFAOYSA-N -1 3 313.220 3.243 20 10 DGCDHM COCC1(C2CCC2)CN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000827011547 628912766 /nfs/dbraw/zinc/91/27/66/628912766.db2.gz KPJFAYOEVAJECC-UHFFFAOYSA-N -1 3 313.800 3.433 20 10 DGCDHM COc1ccccc1C1(NCc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000829697496 629183420 /nfs/dbraw/zinc/18/34/20/629183420.db2.gz MBUDCCQFJDKZFL-UHFFFAOYSA-N -1 3 314.341 3.088 20 10 DGCDHM COc1ccc(O)c([C@H](C)N[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733971 629644353 /nfs/dbraw/zinc/64/43/53/629644353.db2.gz XDRUYMJIRQMTRK-QWRGUYRKSA-N -1 3 319.357 3.412 20 10 DGCDHM C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835311 629653618 /nfs/dbraw/zinc/65/36/18/629653618.db2.gz XLCQFLQABGDOGM-QWHCGFSZSA-N -1 3 314.385 3.023 20 10 DGCDHM C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835311 629653619 /nfs/dbraw/zinc/65/36/19/629653619.db2.gz XLCQFLQABGDOGM-QWHCGFSZSA-N -1 3 314.385 3.023 20 10 DGCDHM Cc1cc([O-])c(CNCc2nccn2C(F)F)c(Cl)c1 ZINC000840885255 630372340 /nfs/dbraw/zinc/37/23/40/630372340.db2.gz AJXXPMJQPWRWLI-UHFFFAOYSA-N -1 3 301.724 3.235 20 10 DGCDHM CC1(C)CCC[C@@H]1[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000844033598 630707284 /nfs/dbraw/zinc/70/72/84/630707284.db2.gz PTWGKVAKJZDJHL-TZMCWYRMSA-N -1 3 303.402 3.386 20 10 DGCDHM C[C@H](O)[C@@H](NCc1c([O-])cccc1Cl)c1ccccc1F ZINC000846018270 631206275 /nfs/dbraw/zinc/20/62/75/631206275.db2.gz SGQDPFRSZKOVON-MGPLVRAMSA-N -1 3 309.768 3.396 20 10 DGCDHM C[C@H](O)[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182954 631213826 /nfs/dbraw/zinc/21/38/26/631213826.db2.gz MLNQALDGMLFLKU-DINDLPBHSA-N -1 3 307.340 3.443 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1C[C@H](O)c2ccccc21 ZINC000850373179 632130023 /nfs/dbraw/zinc/13/00/23/632130023.db2.gz DHGBBTYOSHMBKS-ZFWWWQNUSA-N -1 3 307.752 3.453 20 10 DGCDHM C[C@@H](O)[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1 ZINC000850421570 632147816 /nfs/dbraw/zinc/14/78/16/632147816.db2.gz YTUDSRGPXOKKBV-HWPZZCPQSA-N -1 3 309.768 3.396 20 10 DGCDHM COc1ccnc(CN[C@H](C)c2ccc(Cl)cc2[O-])c1F ZINC000850537471 632186348 /nfs/dbraw/zinc/18/63/48/632186348.db2.gz VQBPJBYKMDHHBW-SECBINFHSA-N -1 3 310.756 3.439 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000707140243 660887056 /nfs/dbraw/zinc/88/70/56/660887056.db2.gz OONJAKYWLBGTQH-WDEREUQCSA-N -1 3 314.223 3.154 20 10 DGCDHM CCC[C@@H]1CN(Cc2c([O-])cccc2Br)CCO1 ZINC000709023214 660923419 /nfs/dbraw/zinc/92/34/19/660923419.db2.gz ZLVRQTHLBQXHHJ-LLVKDONJSA-N -1 3 314.223 3.156 20 10 DGCDHM CCOc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1F ZINC000177674929 655938701 /nfs/dbraw/zinc/93/87/01/655938701.db2.gz LEBVDHSEYQJJDC-UHFFFAOYSA-N -1 3 305.305 3.196 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)c([O-])c1O ZINC000181938432 656101867 /nfs/dbraw/zinc/10/18/67/656101867.db2.gz UJTLXZTVWWIMOT-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM Cn1nc(C2CCCCC2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000193137188 656185942 /nfs/dbraw/zinc/18/59/42/656185942.db2.gz GOTQBKNEHQWKKB-UHFFFAOYSA-N -1 3 315.373 3.131 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(C(F)(F)F)cc1 ZINC000167964215 659120054 /nfs/dbraw/zinc/12/00/54/659120054.db2.gz IJGWCNSHWGIFQJ-UHFFFAOYSA-N -1 3 317.288 3.212 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(OCCF)c2)c([O-])c1O ZINC000182609983 660067094 /nfs/dbraw/zinc/06/70/94/660067094.db2.gz HVPOVXDOGNHUEF-UHFFFAOYSA-N -1 3 305.305 3.007 20 10 DGCDHM Cc1ccc(C(=O)N2CCN(C3CC3)c3ccccc32)c([O-])c1O ZINC000187542543 661842013 /nfs/dbraw/zinc/84/20/13/661842013.db2.gz OQBMEHWWVRORSO-UHFFFAOYSA-N -1 3 324.380 3.035 20 10 DGCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(F)ccc1[O-] ZINC000078762655 662084116 /nfs/dbraw/zinc/08/41/16/662084116.db2.gz NTMFBPFYQWYSIR-OAHLLOKOSA-N -1 3 306.381 3.075 20 10 DGCDHM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193100894 662122683 /nfs/dbraw/zinc/12/26/83/662122683.db2.gz QRRKOBZETMEZLI-XHDPSFHLSA-N -1 3 315.344 3.460 20 10 DGCDHM CC(C)(C)c1cccc(NC(=O)c2cccc(O)c2[O-])c1O ZINC000193168884 662124842 /nfs/dbraw/zinc/12/48/42/662124842.db2.gz DSTQRGVRRSGTOL-UHFFFAOYSA-N -1 3 301.342 3.353 20 10 DGCDHM COC(=O)CN(Cc1ccc(C)o1)Cc1cc(Cl)ccc1[O-] ZINC000093277060 662350387 /nfs/dbraw/zinc/35/03/87/662350387.db2.gz YRWKOLFCNMUOCA-UHFFFAOYSA-N -1 3 323.776 3.122 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C(F)(F)F)C2)c1[O-] ZINC000385827272 685174596 /nfs/dbraw/zinc/17/45/96/685174596.db2.gz ZFSADMWYKZUIIY-SNVBAGLBSA-N -1 3 305.271 3.118 20 10 DGCDHM C[C@H](Nc1cccc(C2CC2)n1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589983985 1192481366 /nfs/dbraw/zinc/48/13/66/1192481366.db2.gz IGWQEVWMMVGSHK-JTQLQIEISA-N -1 3 322.372 3.018 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC001596911010 1192710108 /nfs/dbraw/zinc/71/01/08/1192710108.db2.gz CIFWHPLMMGRSAC-WDEREUQCSA-N -1 3 321.298 3.229 20 10 DGCDHM CC[C@@H](C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001596912707 1192710461 /nfs/dbraw/zinc/71/04/61/1192710461.db2.gz QVOLGQYBUMRJFB-CYBMUJFWSA-N -1 3 305.324 3.480 20 10 DGCDHM CNC(=O)c1ccc(NCc2c([O-])cccc2Cl)c(C)c1 ZINC000127294951 1176315762 /nfs/dbraw/zinc/31/57/62/1176315762.db2.gz JQAJJPNQUYMDCO-UHFFFAOYSA-N -1 3 304.777 3.326 20 10 DGCDHM C[C@]1(CNC(=O)c2cccc(O)c2[O-])CCCc2ccccc21 ZINC001598439035 1192774611 /nfs/dbraw/zinc/77/46/11/1192774611.db2.gz BCOHGIYOFGDRMF-LJQANCHMSA-N -1 3 311.381 3.122 20 10 DGCDHM COC(=O)CN(CC1=CCCC1)Cc1cc(Cl)ccc1[O-] ZINC001642072273 1194886456 /nfs/dbraw/zinc/88/64/56/1194886456.db2.gz XLEXIUQEYPGNLB-UHFFFAOYSA-N -1 3 309.793 3.131 20 10 DGCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC001621054972 1192978628 /nfs/dbraw/zinc/97/86/28/1192978628.db2.gz AYADMCFTHDDKOT-SNVBAGLBSA-N -1 3 317.301 3.059 20 10 DGCDHM CC[C@H](C)NC(=S)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001200492141 1180678959 /nfs/dbraw/zinc/67/89/59/1180678959.db2.gz GXSWQXADOGCETQ-VIFPVBQESA-N -1 3 323.849 3.356 20 10 DGCDHM O=C(Cc1ccc(F)cc1Cl)NCc1c([O-])cccc1F ZINC001471976431 1183604492 /nfs/dbraw/zinc/60/44/92/1183604492.db2.gz YVSRNMHQXRIKDA-UHFFFAOYSA-N -1 3 311.715 3.183 20 10 DGCDHM CC(C)c1ccc2c(c1)CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001472429889 1183643389 /nfs/dbraw/zinc/64/33/89/1183643389.db2.gz BXSWDTXIYXAMMB-UHFFFAOYSA-N -1 3 311.381 3.420 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CC(C)C1 ZINC001473234490 1183733935 /nfs/dbraw/zinc/73/39/35/1183733935.db2.gz TUWUAXZVLPFUCI-UHFFFAOYSA-N -1 3 311.809 3.067 20 10 DGCDHM CN(C(N)=O)c1cccc(NCc2c([O-])cccc2Cl)c1 ZINC001474133113 1183873295 /nfs/dbraw/zinc/87/32/95/1183873295.db2.gz GYGARMYSHJIYGY-UHFFFAOYSA-N -1 3 305.765 3.173 20 10 DGCDHM COc1cccc2c1CCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC001474436749 1183921781 /nfs/dbraw/zinc/92/17/81/1183921781.db2.gz NBZLVDBRZLBRFC-UHFFFAOYSA-N -1 3 305.324 3.237 20 10 DGCDHM [O-]c1c(F)cccc1CNCc1nc(-c2ccncc2)cs1 ZINC001474696468 1183963233 /nfs/dbraw/zinc/96/32/33/1183963233.db2.gz FJBTVIYUDHSESY-UHFFFAOYSA-N -1 3 315.373 3.340 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1CCc2c1cccc2F ZINC001479350185 1184238378 /nfs/dbraw/zinc/23/83/78/1184238378.db2.gz XUZLHSGUHZSDFH-HNNXBMFYSA-N -1 3 318.323 3.157 20 10 DGCDHM C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609740389 1193353574 /nfs/dbraw/zinc/35/35/74/1193353574.db2.gz DYIQMBDSGXAFQH-NEPJUHHUSA-N -1 3 303.358 3.355 20 10 DGCDHM C[C@@H](N[C@H]1COCc2ccccc21)c1cc(C(=O)[O-])ccc1O ZINC001609774828 1193354946 /nfs/dbraw/zinc/35/49/46/1193354946.db2.gz CAAXWAVOIHIBMT-BZNIZROVSA-N -1 3 313.353 3.013 20 10 DGCDHM C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609779809 1193356333 /nfs/dbraw/zinc/35/63/33/1193356333.db2.gz OQTAOUVHEMJNQR-JTQLQIEISA-N -1 3 321.323 3.262 20 10 DGCDHM Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001610574812 1193399215 /nfs/dbraw/zinc/39/92/15/1193399215.db2.gz HZFBHKFJSAUEDR-UWVGGRQHSA-N -1 3 318.373 3.150 20 10 DGCDHM O=[N+]([O-])c1cc2c(ncnc2NCc2c([O-])cccc2F)s1 ZINC001612950613 1193464712 /nfs/dbraw/zinc/46/47/12/1193464712.db2.gz SDXLYVWABAMNCM-UHFFFAOYSA-N -1 3 320.305 3.056 20 10 DGCDHM CC(C)COc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001626213353 1193472392 /nfs/dbraw/zinc/47/23/92/1193472392.db2.gz RNVJDNOMJRXTFL-UHFFFAOYSA-N -1 3 301.342 3.385 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)Cc1ccsc1 ZINC001617186893 1193561074 /nfs/dbraw/zinc/56/10/74/1193561074.db2.gz OQYHDGIMHUNWDR-NSHDSACASA-N -1 3 305.399 3.253 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)nc(Cl)c1 ZINC001635360736 1194547073 /nfs/dbraw/zinc/54/70/73/1194547073.db2.gz RCCBCYZYLFQCCX-UHFFFAOYSA-N -1 3 315.131 3.163 20 10 DGCDHM CC(C)(Nc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001635366536 1194547479 /nfs/dbraw/zinc/54/74/79/1194547479.db2.gz ABKOKGGQSFSFBH-UHFFFAOYSA-N -1 3 302.349 3.038 20 10 DGCDHM Cc1ccc(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c([O-])c1O ZINC001637068580 1194648525 /nfs/dbraw/zinc/64/85/25/1194648525.db2.gz FNJMXWYGZLRWHN-UHFFFAOYSA-N -1 3 316.313 3.184 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1nc2ccccc2s1 ZINC001645048466 1195152527 /nfs/dbraw/zinc/15/25/27/1195152527.db2.gz XCUFKRXPZCLABP-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM CSc1nc2ncnc(NCc3c([O-])cccc3F)c2s1 ZINC001651438679 1195461803 /nfs/dbraw/zinc/46/18/03/1195461803.db2.gz PHBSZXHRDXWLIN-UHFFFAOYSA-N -1 3 322.390 3.265 20 10 DGCDHM COC(=O)[C@@H]1CCCCCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001652158913 1195555406 /nfs/dbraw/zinc/55/54/06/1195555406.db2.gz OGGYOVQANBJBAL-AWEZNQCLSA-N -1 3 311.809 3.272 20 10 DGCDHM COc1cccc2cc(C(=O)NCc3c([O-])cccc3F)oc21 ZINC001652295912 1195576956 /nfs/dbraw/zinc/57/69/56/1195576956.db2.gz VCEGMTPMABBKGN-UHFFFAOYSA-N -1 3 315.300 3.216 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@]1(F)c1ccccc1 ZINC001652298715 1195578612 /nfs/dbraw/zinc/57/86/12/1195578612.db2.gz OLLHHNXSZJTJSD-CXAGYDPISA-N -1 3 303.308 3.032 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001652298718 1195578719 /nfs/dbraw/zinc/57/87/19/1195578719.db2.gz OLLHHNXSZJTJSD-SUMWQHHRSA-N -1 3 303.308 3.032 20 10 DGCDHM O=C1CCN1c1ccc(NCc2ccc(Cl)cc2[O-])cc1 ZINC001652315195 1195580357 /nfs/dbraw/zinc/58/03/57/1195580357.db2.gz ZVKBUCUWDDPARY-UHFFFAOYSA-N -1 3 302.761 3.394 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CC(OCCCc2ccccc2)C1 ZINC001652625634 1195627560 /nfs/dbraw/zinc/62/75/60/1195627560.db2.gz IDOKKOJMMAYRJJ-UHFFFAOYSA-N -1 3 315.388 3.365 20 10 DGCDHM Cc1cccc2nc(CNCc3cc(Cl)cc(F)c3[O-])cn21 ZINC001655599921 1195938086 /nfs/dbraw/zinc/93/80/86/1195938086.db2.gz IHYKUWMGQUIMHF-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM [O-]c1cc(F)c(CC[NH2+]Cc2ccc(Cl)cc2[O-])c(F)c1 ZINC001658964167 1196326022 /nfs/dbraw/zinc/32/60/22/1196326022.db2.gz QWHHRSSGNCXPEH-UHFFFAOYSA-N -1 3 313.731 3.362 20 10 DGCDHM CC1(C)CCc2onc(CNCc3cc(F)c(F)cc3[O-])c2C1 ZINC001659947181 1196431217 /nfs/dbraw/zinc/43/12/17/1196431217.db2.gz FMGJMNATZXFYOC-UHFFFAOYSA-N -1 3 322.355 3.463 20 10 DGCDHM C[C@@H]1CCCN(Cc2cccc(F)c2[O-])[C@H]1C(=O)OC(C)(C)C ZINC001660080418 1196443499 /nfs/dbraw/zinc/44/34/99/1196443499.db2.gz GCQCTUKCFXFJKT-IUODEOHRSA-N -1 3 323.408 3.474 20 10 DGCDHM [O-]c1c(Cl)cccc1CN[C@@H](CO)c1cc(F)ccc1F ZINC001660897363 1196540065 /nfs/dbraw/zinc/54/00/65/1196540065.db2.gz AYODRQYDKQCPNI-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM CCc1nc([C@H](C)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC001662111896 1196682225 /nfs/dbraw/zinc/68/22/25/1196682225.db2.gz DBYUFQUEMRRUHG-ZETCQYMHSA-N -1 3 315.204 3.230 20 10 DGCDHM [O-]c1cccc(F)c1CNCc1nc(Br)cs1 ZINC001665713001 1197179374 /nfs/dbraw/zinc/17/93/74/1197179374.db2.gz XBROFTFZOPVFMK-UHFFFAOYSA-N -1 3 317.183 3.040 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2scnc2c1 ZINC001668053288 1197397652 /nfs/dbraw/zinc/39/76/52/1197397652.db2.gz JWRRYBRLEPLZTJ-UHFFFAOYSA-N -1 3 317.345 3.463 20 10 DGCDHM COc1cccc(C)c1NC(=O)NCc1c([O-])cccc1F ZINC001669425980 1197454217 /nfs/dbraw/zinc/45/42/17/1197454217.db2.gz RXQISYGCDNXHFB-UHFFFAOYSA-N -1 3 304.321 3.170 20 10 DGCDHM C[C@H]1Cc2cc(NC(=O)NCc3c([O-])cccc3F)ccc2O1 ZINC001673328056 1197649729 /nfs/dbraw/zinc/64/97/29/1197649729.db2.gz UVYVELIFRZRTIT-JTQLQIEISA-N -1 3 316.332 3.176 20 10 DGCDHM CCCC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1[O-] ZINC001595749333 982423269 /nfs/dbraw/zinc/42/32/69/982423269.db2.gz YKVXCYJBMIGLFV-UHFFFAOYSA-N -1 3 303.358 3.486 20 10 DGCDHM CCCC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1ccccc1[O-] ZINC001595749333 982423273 /nfs/dbraw/zinc/42/32/73/982423273.db2.gz YKVXCYJBMIGLFV-UHFFFAOYSA-N -1 3 303.358 3.486 20 10 DGCDHM CCC[N@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)[O-] ZINC001595891180 982925081 /nfs/dbraw/zinc/92/50/81/982925081.db2.gz NSBIXKYUWFIRNS-UHFFFAOYSA-N -1 3 313.397 3.432 20 10 DGCDHM CCC[N@@H+](Cc1ccccc1[O-])Cc1ccccc1CC(=O)[O-] ZINC001595891180 982925090 /nfs/dbraw/zinc/92/50/90/982925090.db2.gz NSBIXKYUWFIRNS-UHFFFAOYSA-N -1 3 313.397 3.432 20 10 DGCDHM C[N@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598530811 992777655 /nfs/dbraw/zinc/77/76/55/992777655.db2.gz TYZSHGMBVCMZRB-HNNXBMFYSA-N -1 3 305.761 3.303 20 10 DGCDHM C[N@@H+](Cc1ccccc1[O-])[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598530811 992777660 /nfs/dbraw/zinc/77/76/60/992777660.db2.gz TYZSHGMBVCMZRB-HNNXBMFYSA-N -1 3 305.761 3.303 20 10 DGCDHM C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241266 994437275 /nfs/dbraw/zinc/43/72/75/994437275.db2.gz YYSYDKQNVNNNLE-LBPRGKRZSA-N -1 3 314.385 3.114 20 10 DGCDHM C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001593252044 994501344 /nfs/dbraw/zinc/50/13/44/994501344.db2.gz MNLSEOIZVSQRDQ-YPMHNXCESA-N -1 3 321.442 3.274 20 10 DGCDHM C[C@H]([NH2+]CCN1[C@@H](C)CCC[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266443 994580055 /nfs/dbraw/zinc/58/00/55/994580055.db2.gz DPLGSKOCQOGONO-IHRRRGAJSA-N -1 3 320.433 3.004 20 10 DGCDHM C[C@H]([NH2+]Cc1cccc2cccnc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593303225 994733448 /nfs/dbraw/zinc/73/34/48/994733448.db2.gz FOHDDHBUPYWUHJ-LBPRGKRZSA-N -1 3 322.364 3.489 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]1(C)O ZINC001203574473 1090759229 /nfs/dbraw/zinc/75/92/29/1090759229.db2.gz XVWRLBURNRDLRK-YMTOWFKASA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H](c2ccncc2)C1 ZINC001140466117 1082278857 /nfs/dbraw/zinc/27/88/57/1082278857.db2.gz XRHRNCMELMRQSX-INIZCTEOSA-N -1 3 304.777 3.014 20 10 DGCDHM COc1ccc2c(c1)CCN(Cc1cc(F)cc(F)c1[O-])C2 ZINC001182910706 1083838584 /nfs/dbraw/zinc/83/85/84/1083838584.db2.gz PGRYXBFHJFNTKX-UHFFFAOYSA-N -1 3 305.324 3.237 20 10 DGCDHM C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1CO ZINC001203573484 1083991395 /nfs/dbraw/zinc/99/13/95/1083991395.db2.gz BXRGYPVYSGTIGE-TVQRCGJNSA-N -1 3 304.217 3.292 20 10 DGCDHM CN(C)c1nccc2c1CN(Cc1ccc(Cl)cc1[O-])CC2 ZINC001184364184 1084157170 /nfs/dbraw/zinc/15/71/70/1084157170.db2.gz NQCOGEZUZAYJAD-UHFFFAOYSA-N -1 3 317.820 3.065 20 10 DGCDHM Cc1c(C)c([N-]S(=O)(=O)c2cccc(F)c2C)ccc1O ZINC001185828398 1084535027 /nfs/dbraw/zinc/53/50/27/1084535027.db2.gz DKZNSLHMCGGEMX-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM CN1CCN(Cc2cc(F)c(F)cc2[O-])C[C@@H]1c1ccccc1 ZINC001142520739 1087276184 /nfs/dbraw/zinc/27/61/84/1087276184.db2.gz OVBCYTZLEPSKFT-QGZVFWFLSA-N -1 3 318.367 3.159 20 10 DGCDHM Cc1cccnc1O[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530408 1087278747 /nfs/dbraw/zinc/27/87/47/1087278747.db2.gz HCWJFIUEPDXAMN-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1cccc2c1CC(C)(C)N(C(=O)c1cccc(O)c1[O-])C2 ZINC001159039251 1088155741 /nfs/dbraw/zinc/15/57/41/1088155741.db2.gz VGVDTMAEXFXDFE-UHFFFAOYSA-N -1 3 311.381 3.383 20 10 DGCDHM Cc1cnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001168522271 1088526700 /nfs/dbraw/zinc/52/67/00/1088526700.db2.gz DSFKFLMZMZGJFD-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM Nc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168522848 1088533648 /nfs/dbraw/zinc/53/36/48/1088533648.db2.gz JVMUATLELCVXRD-UHFFFAOYSA-N -1 3 300.749 3.183 20 10 DGCDHM CCON(CC1CCCCC1)C(=O)c1ccc(C)c(O)c1[O-] ZINC001161350288 1089205332 /nfs/dbraw/zinc/20/53/32/1089205332.db2.gz SLFAHKCDRWLFTA-UHFFFAOYSA-N -1 3 307.390 3.380 20 10 DGCDHM COC(=O)[C@H]1CCCN(Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793576 1089885235 /nfs/dbraw/zinc/88/52/35/1089885235.db2.gz LFZBFQLIBTXAMS-VIFPVBQESA-N -1 3 318.200 3.084 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800081 1089908929 /nfs/dbraw/zinc/90/89/29/1089908929.db2.gz WROAASVGRUIXHC-KBPBESRZSA-N -1 3 305.752 3.326 20 10 DGCDHM CCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])[C@H](C)C1 ZINC001236805562 1089945905 /nfs/dbraw/zinc/94/59/05/1089945905.db2.gz ZFGFRUIROYHLIF-SNVBAGLBSA-N -1 3 303.233 3.225 20 10 DGCDHM Nc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nc1 ZINC001157724353 1090088285 /nfs/dbraw/zinc/08/82/85/1090088285.db2.gz LXAOIPAGSUQHBY-UHFFFAOYSA-N -1 3 300.749 3.183 20 10 DGCDHM Nc1cccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157723934 1090088747 /nfs/dbraw/zinc/08/87/47/1090088747.db2.gz FOSQGWZAZQOXFX-UHFFFAOYSA-N -1 3 300.749 3.183 20 10 DGCDHM COc1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001157723952 1090089470 /nfs/dbraw/zinc/08/94/70/1090089470.db2.gz GNVUFPSRELALLA-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC[C@@]1(C)O ZINC001203574227 1090759392 /nfs/dbraw/zinc/75/93/92/1090759392.db2.gz QHMWEPMDDUFVDC-YMTOWFKASA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC2(C1)CC(F)(F)CS2 ZINC001203664187 1090775468 /nfs/dbraw/zinc/77/54/68/1090775468.db2.gz QHFIOPHWQQPPMY-UHFFFAOYSA-N -1 3 305.777 3.372 20 10 DGCDHM O=C(Nc1scnc1-c1ccccc1)c1cccc(O)c1[O-] ZINC001292845933 1091186202 /nfs/dbraw/zinc/18/62/02/1091186202.db2.gz AVFWLNYWCPJOFL-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM [O-]c1cccc(F)c1CN1CC[C@@H]1COCc1ccccc1 ZINC001137837730 1091208589 /nfs/dbraw/zinc/20/85/89/1091208589.db2.gz SDWGMEGUQBTAFQ-OAHLLOKOSA-N -1 3 301.361 3.322 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@@H]1COc2cc(F)cc(F)c21 ZINC001205394424 1091210302 /nfs/dbraw/zinc/21/03/02/1091210302.db2.gz OZDUBJZRELPHTL-GFCCVEGCSA-N -1 3 313.250 3.172 20 10 DGCDHM COC(=O)c1ccc2c(c1)CCN2Cc1ccc(Cl)cc1[O-] ZINC001205477870 1091231747 /nfs/dbraw/zinc/23/17/47/1091231747.db2.gz MDPYGEWYDRMWPX-UHFFFAOYSA-N -1 3 317.772 3.395 20 10 DGCDHM Cc1c(Cl)cncc1NC(=O)NCc1c([O-])cccc1F ZINC001205756130 1091336005 /nfs/dbraw/zinc/33/60/05/1091336005.db2.gz LEOFXCCRKYWPDA-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001139684448 1091641657 /nfs/dbraw/zinc/64/16/57/1091641657.db2.gz UZNPEUNVSADIPC-CYBMUJFWSA-N -1 3 323.314 3.463 20 10 DGCDHM CN(CCCC(=O)c1cccnc1)Cc1c(F)ccc(F)c1[O-] ZINC001139684494 1091641681 /nfs/dbraw/zinc/64/16/81/1091641681.db2.gz WXBHPNAXXDPDRB-UHFFFAOYSA-N -1 3 320.339 3.160 20 10 DGCDHM Cc1ccc(O[C@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)nc1 ZINC001139686936 1091643394 /nfs/dbraw/zinc/64/33/94/1091643394.db2.gz INDDGQBOZDRVDY-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM CN(Cc1c(F)ccc(F)c1[O-])C[C@H]1Cc2ccccc2O1 ZINC001139690121 1091643636 /nfs/dbraw/zinc/64/36/36/1091643636.db2.gz PLSQMKDKEIKKJY-GFCCVEGCSA-N -1 3 305.324 3.106 20 10 DGCDHM [O-]c1cccc(Br)c1CN1Cc2cccnc2C1 ZINC001140098559 1091766346 /nfs/dbraw/zinc/76/63/46/1091766346.db2.gz FBIRIWHMKZNXNB-UHFFFAOYSA-N -1 3 305.175 3.066 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCCC[C@H](F)C1 ZINC001140098933 1091767702 /nfs/dbraw/zinc/76/77/02/1091767702.db2.gz ULAQBXNOSRMSKR-JTQLQIEISA-N -1 3 302.187 3.479 20 10 DGCDHM CN(Cc1cnc2ccccn12)Cc1c([O-])cccc1Cl ZINC001140338144 1091833634 /nfs/dbraw/zinc/83/36/34/1091833634.db2.gz XAISPNVCMGVDAS-UHFFFAOYSA-N -1 3 301.777 3.325 20 10 DGCDHM Cc1cccnc1O[C@@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585962 1091921516 /nfs/dbraw/zinc/92/15/16/1091921516.db2.gz XLKNDZUHKDSDHJ-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC001214560069 1093799204 /nfs/dbraw/zinc/79/92/04/1093799204.db2.gz IUFLNNGFYNPROR-UHFFFAOYSA-N -1 3 319.292 3.070 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001215143699 1093925934 /nfs/dbraw/zinc/92/59/34/1093925934.db2.gz MONJXIRYFRZCQP-UHFFFAOYSA-N -1 3 320.251 3.416 20 10 DGCDHM Cc1ncc(Cl)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145689 1093926818 /nfs/dbraw/zinc/92/68/18/1093926818.db2.gz CFMGRVRLQIICJI-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001215146048 1093926969 /nfs/dbraw/zinc/92/69/69/1093926969.db2.gz YRHGVWZISJQYPQ-UHFFFAOYSA-N -1 3 321.292 3.470 20 10 DGCDHM Cc1cc(Cl)ccc1-c1noc(-c2ccc(O)c(O)c2[O-])n1 ZINC001215325266 1093960352 /nfs/dbraw/zinc/96/03/52/1093960352.db2.gz JHRJONKNXOYYMJ-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cn1ccc2ccc(-c3noc(-c4ccc(O)c(O)c4[O-])n3)cc21 ZINC001215325417 1093960600 /nfs/dbraw/zinc/96/06/00/1093960600.db2.gz RMFCCPAMPWMRSE-UHFFFAOYSA-N -1 3 323.308 3.012 20 10 DGCDHM Cc1c(F)ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1F ZINC001215325171 1093960804 /nfs/dbraw/zinc/96/08/04/1093960804.db2.gz FHMSLEUVOHWAMR-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM Cc1c(F)cc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1F ZINC001215325510 1093960920 /nfs/dbraw/zinc/96/09/20/1093960920.db2.gz XDROBOCLHAXHIN-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM Cc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)ccc1Cl ZINC001215327743 1093961418 /nfs/dbraw/zinc/96/14/18/1093961418.db2.gz QQUILQKZFNPHIF-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1cc(Cl)cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c1 ZINC001215327567 1093961459 /nfs/dbraw/zinc/96/14/59/1093961459.db2.gz IRDMHERMHZCUSF-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccccc3Cl)no2)cc1O ZINC001215327480 1093961987 /nfs/dbraw/zinc/96/19/87/1093961987.db2.gz CSQFVJGFUGVQIS-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM Cc1cncc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1 ZINC001216952041 1094283235 /nfs/dbraw/zinc/28/32/35/1094283235.db2.gz QPYUIEXIYHFXEM-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM Cc1ccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)nc1 ZINC001216952402 1094283797 /nfs/dbraw/zinc/28/37/97/1094283797.db2.gz YPRIVXYICWFABT-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1C2CCC1CC2 ZINC001144300098 1095592629 /nfs/dbraw/zinc/59/26/29/1095592629.db2.gz SFVMIACKKSJYRG-UHFFFAOYSA-N -1 3 300.171 3.421 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1C[C@H]2CC[C@@H]1C2 ZINC001144306641 1095600195 /nfs/dbraw/zinc/60/01/95/1095600195.db2.gz KKTAPURZLGJQDY-WCBMZHEXSA-N -1 3 300.171 3.278 20 10 DGCDHM O=C(Nc1ccc(-c2cccnc2)cc1)c1cccc(O)c1[O-] ZINC001148218704 1096328640 /nfs/dbraw/zinc/32/86/40/1096328640.db2.gz HZPHITCZPZIICG-UHFFFAOYSA-N -1 3 306.321 3.412 20 10 DGCDHM O=C(Nc1ccccc1-c1ccncc1)c1cc(O)c([O-])c(O)c1 ZINC001148586079 1096406807 /nfs/dbraw/zinc/40/68/07/1096406807.db2.gz HZNQNYHXCIVTJX-UHFFFAOYSA-N -1 3 322.320 3.118 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC001231455440 1097753015 /nfs/dbraw/zinc/75/30/15/1097753015.db2.gz NVRJJIPMNYCSAJ-HNNXBMFYSA-N -1 3 303.402 3.493 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c([O-])c1 ZINC001231455440 1097753018 /nfs/dbraw/zinc/75/30/18/1097753018.db2.gz NVRJJIPMNYCSAJ-HNNXBMFYSA-N -1 3 303.402 3.493 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@H](c3ccccn3)C2)cc1Cl ZINC001231870677 1097872732 /nfs/dbraw/zinc/87/27/32/1097872732.db2.gz NWAYPVVMUILOJR-KRWDZBQOSA-N -1 3 318.804 3.323 20 10 DGCDHM [O-]c1c(CN2CC(Oc3cccnc3)C2)ccc2ccccc21 ZINC001231882178 1097879195 /nfs/dbraw/zinc/87/91/95/1097879195.db2.gz MFFMPZQCDGHLOT-UHFFFAOYSA-N -1 3 306.365 3.204 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC(Oc2cccnc2)CC1 ZINC001231912164 1097890763 /nfs/dbraw/zinc/89/07/63/1097890763.db2.gz WUPNUTBBBPAWMN-UHFFFAOYSA-N -1 3 318.804 3.484 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@](C)(F)[C@@H](F)C2)cc1Cl ZINC001232267103 1097987250 /nfs/dbraw/zinc/98/72/50/1097987250.db2.gz WJGINZJBLOHJAD-KBPBESRZSA-N -1 3 305.752 3.326 20 10 DGCDHM COc1cc([O-])c(CN(C)CC(=O)c2ccccc2)cc1Cl ZINC001232267711 1097988003 /nfs/dbraw/zinc/98/80/03/1097988003.db2.gz FOCVBVVXBMUVOF-UHFFFAOYSA-N -1 3 319.788 3.369 20 10 DGCDHM Cc1cnccc1O[C@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080259 1098220455 /nfs/dbraw/zinc/22/04/55/1098220455.db2.gz UHOJKUGKIIFSRF-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H](F)C2)cc1Br ZINC001233138458 1098235361 /nfs/dbraw/zinc/23/53/61/1098235361.db2.gz ABCYTNFZMVTXEE-JTQLQIEISA-N -1 3 318.186 3.097 20 10 DGCDHM CN(Cc1ccc2c(c1)OCO2)Cc1c([O-])ccc(F)c1F ZINC001233335253 1098292427 /nfs/dbraw/zinc/29/24/27/1098292427.db2.gz NQUIPWXKRROJTM-UHFFFAOYSA-N -1 3 307.296 3.031 20 10 DGCDHM CN(Cc1c([O-])ccc(F)c1F)C[C@H]1Cc2ccccc2O1 ZINC001233336324 1098293687 /nfs/dbraw/zinc/29/36/87/1098293687.db2.gz HRVDEFMDICRAIO-GFCCVEGCSA-N -1 3 305.324 3.106 20 10 DGCDHM CC(C)[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418797 1098324283 /nfs/dbraw/zinc/32/42/83/1098324283.db2.gz WXTBGTGALJWUKB-CYBMUJFWSA-N -1 3 303.324 3.268 20 10 DGCDHM [O-]c1c(Br)cc(F)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001235306949 1098952114 /nfs/dbraw/zinc/95/21/14/1098952114.db2.gz ZWLIZEGBRMNKNP-JWYUURKGSA-N -1 3 318.161 3.226 20 10 DGCDHM Nc1cccc2c1CCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001236365114 1099553262 /nfs/dbraw/zinc/55/32/62/1099553262.db2.gz DENRCYRKEGWMEZ-UHFFFAOYSA-N -1 3 306.768 3.325 20 10 DGCDHM Cc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2[O-])c[nH]1 ZINC001188200871 1099711782 /nfs/dbraw/zinc/71/17/82/1099711782.db2.gz HVJCARBYZGMLGX-UHFFFAOYSA-N -1 3 315.760 3.160 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001236665009 1099732002 /nfs/dbraw/zinc/73/20/02/1099732002.db2.gz ZZOMXQMGTWXHMU-XHVZSJERSA-N -1 3 314.198 3.253 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC2(COC2)C1 ZINC001236790875 1099788612 /nfs/dbraw/zinc/78/86/12/1099788612.db2.gz WASWDCFTQMZILE-UHFFFAOYSA-N -1 3 302.201 3.311 20 10 DGCDHM COc1cc([O-])c(CN(C)Cc2cccc(O)c2)c(Cl)c1 ZINC001236798384 1099793188 /nfs/dbraw/zinc/79/31/88/1099793188.db2.gz NTUJDZHCOKMEQS-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@]2(CCO2)C1 ZINC001236798666 1099793375 /nfs/dbraw/zinc/79/33/75/1099793375.db2.gz JSMBQIBZCQYCRQ-AWEZNQCLSA-N -1 3 302.201 3.454 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ncccc3C2)c(Cl)c1 ZINC001236800978 1099793792 /nfs/dbraw/zinc/79/37/92/1099793792.db2.gz CKIZIPUQALDOPO-UHFFFAOYSA-N -1 3 304.777 3.008 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@H](CCO)C1 ZINC001237080785 1099959181 /nfs/dbraw/zinc/95/91/81/1099959181.db2.gz FNRMCLVJXJALHN-SNVBAGLBSA-N -1 3 304.217 3.293 20 10 DGCDHM COC(=O)C[C@@H]1CCCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237085429 1099965482 /nfs/dbraw/zinc/96/54/82/1099965482.db2.gz ZQIKVBVGKYAAKN-VIFPVBQESA-N -1 3 318.200 3.227 20 10 DGCDHM Cc1cc([O-])c(CN2CCC[C@@H](F)C2)cc1Br ZINC001237679258 1100212415 /nfs/dbraw/zinc/21/24/15/1100212415.db2.gz ONJVFRVYWXCZCJ-LLVKDONJSA-N -1 3 302.187 3.397 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](Oc2cccnc2)C1 ZINC001237937700 1100297365 /nfs/dbraw/zinc/29/73/65/1100297365.db2.gz UAPZBFANUCMMGI-ZDUSSCGKSA-N -1 3 322.767 3.233 20 10 DGCDHM Cc1[nH]nc2cc(NC(=O)c3cc(O)c([O-])c(Cl)c3)ccc12 ZINC001193626138 1100774491 /nfs/dbraw/zinc/77/44/91/1100774491.db2.gz VNUABVPOCUKNCF-UHFFFAOYSA-N -1 3 317.732 3.188 20 10 DGCDHM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc([O-])cc1 ZINC001195794668 1101202329 /nfs/dbraw/zinc/20/23/29/1101202329.db2.gz FMTZKGCPBHGYNL-UHFFFAOYSA-N -1 3 321.398 3.330 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccc2c1OCO2 ZINC001199659004 1102176431 /nfs/dbraw/zinc/17/64/31/1102176431.db2.gz RLLWXQPNJHYHNI-UHFFFAOYSA-N -1 3 309.724 3.203 20 10 DGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001251171303 1105634810 /nfs/dbraw/zinc/63/48/10/1105634810.db2.gz PJULVPIIERJKJG-SECBINFHSA-N -1 3 324.302 3.370 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc([C@H]3C[C@@H]3c3ccccc3)o2)cc1O ZINC001254512024 1106087353 /nfs/dbraw/zinc/08/73/53/1106087353.db2.gz FHOUBSCHXSXEDJ-NEPJUHHUSA-N -1 3 310.309 3.125 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1C(F)(F)F ZINC001303877918 1111156571 /nfs/dbraw/zinc/15/65/71/1111156571.db2.gz JUPPTIUZRBVMED-UHFFFAOYSA-N -1 3 313.250 3.480 20 10 DGCDHM CC(C)n1cc2c(n1)[C@@H](NCc1cccc(F)c1[O-])CCC2 ZINC001308665617 1111457700 /nfs/dbraw/zinc/45/77/00/1111457700.db2.gz BXRRHAZDBOGNCX-HNNXBMFYSA-N -1 3 303.381 3.476 20 10 DGCDHM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(O)c1[O-] ZINC000266214908 282793898 /nfs/dbraw/zinc/79/38/98/282793898.db2.gz OHLGMMZJYMQGTG-INIZCTEOSA-N -1 3 318.417 3.031 20 10 DGCDHM Cc1noc([C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000179755860 432070233 /nfs/dbraw/zinc/07/02/33/432070233.db2.gz HYEIOFBPYDPRKW-LBPRGKRZSA-N -1 3 307.781 3.117 20 10 DGCDHM COc1cc(OC)c(OC)cc1CN(C)Cc1ccccc1[O-] ZINC000091974425 193134512 /nfs/dbraw/zinc/13/45/12/193134512.db2.gz LSXSBPDMPTZKOU-UHFFFAOYSA-N -1 3 317.385 3.050 20 10 DGCDHM [O-]c1ccccc1CN1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000190131363 432125334 /nfs/dbraw/zinc/12/53/34/432125334.db2.gz HEEBQIBGLIZDIF-KRWDZBQOSA-N -1 3 305.324 3.244 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000190138288 432126116 /nfs/dbraw/zinc/12/61/16/432126116.db2.gz JJSQGHNVNFJRPL-KRWDZBQOSA-N -1 3 323.314 3.383 20 10 DGCDHM CN(C)c1ccc(CN(C(=O)c2cccc([O-])c2)C2CC2)cc1 ZINC000272572383 130042568 /nfs/dbraw/zinc/04/25/68/130042568.db2.gz IJABYFADODDMHT-UHFFFAOYSA-N -1 3 310.397 3.263 20 10 DGCDHM CCn1cc(CN[C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000273477732 130126318 /nfs/dbraw/zinc/12/63/18/130126318.db2.gz LCNYURDVYAIAFC-JTQLQIEISA-N -1 3 324.222 3.222 20 10 DGCDHM O=C(C1CCN(Cc2c([O-])cccc2Cl)CC1)C(F)(F)F ZINC000274919217 130273943 /nfs/dbraw/zinc/27/39/43/130273943.db2.gz LRUUOVBHTYNAMB-UHFFFAOYSA-N -1 3 321.726 3.389 20 10 DGCDHM COCCN(Cc1cccnc1)Cc1cccc(Cl)c1[O-] ZINC000289416011 131384639 /nfs/dbraw/zinc/38/46/39/131384639.db2.gz INARMWFTTVPXEJ-UHFFFAOYSA-N -1 3 306.793 3.089 20 10 DGCDHM Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1ccc(C)c(O)c1[O-] ZINC000272800023 292343647 /nfs/dbraw/zinc/34/36/47/292343647.db2.gz YLDFDZNGZAUYCM-GFCCVEGCSA-N -1 3 313.353 3.142 20 10 DGCDHM C[C@H](C(=O)N(C)C1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000269605818 432187005 /nfs/dbraw/zinc/18/70/05/432187005.db2.gz CFABGYFIBSZMSU-CQSZACIVSA-N -1 3 304.434 3.004 20 10 DGCDHM C[C@H](c1ccccc1)N(CC(=O)N(C)C)Cc1ccccc1[O-] ZINC000176679241 228318101 /nfs/dbraw/zinc/31/81/01/228318101.db2.gz RTJPLXNPYKCZJX-OAHLLOKOSA-N -1 3 312.413 3.044 20 10 DGCDHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2cccn2C)c([O-])c1O ZINC000179532765 228351719 /nfs/dbraw/zinc/35/17/19/228351719.db2.gz RGLLALWKPKKMIF-OAHLLOKOSA-N -1 3 314.385 3.112 20 10 DGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H](C)C1 ZINC000281575803 274080283 /nfs/dbraw/zinc/08/02/83/274080283.db2.gz CWESIHPTQDEOSA-HZMBPMFUSA-N -1 3 311.809 3.248 20 10 DGCDHM CC[C@H](N[C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000290145204 288092091 /nfs/dbraw/zinc/09/20/91/288092091.db2.gz KXYQHRPYXWXZCJ-AVGNSLFASA-N -1 3 320.216 3.154 20 10 DGCDHM CC(C)[C@@H]1CN(C(=O)c2cccc(O)c2[O-])c2ccccc2N1 ZINC000193108744 280007409 /nfs/dbraw/zinc/00/74/09/280007409.db2.gz TWGQKTYZCXPCTL-AWEZNQCLSA-N -1 3 312.369 3.195 20 10 DGCDHM CN(CCn1cccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000125288996 431920140 /nfs/dbraw/zinc/92/01/40/431920140.db2.gz VAVABUIOFGTEBC-UHFFFAOYSA-N -1 3 300.189 3.028 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccncc2)c1[O-] ZINC000091986310 431906204 /nfs/dbraw/zinc/90/62/04/431906204.db2.gz CGOOIBJKSMOGRB-NSHDSACASA-N -1 3 302.349 3.322 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(C)Cc2cccnc2)c1[O-] ZINC000050134342 431946983 /nfs/dbraw/zinc/94/69/83/431946983.db2.gz MARLPKHBRYGRGX-UHFFFAOYSA-N -1 3 304.777 3.275 20 10 DGCDHM CC[C@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1[O-] ZINC000187073281 281280789 /nfs/dbraw/zinc/28/07/89/281280789.db2.gz PYNSHEUDZGDFGU-LBPRGKRZSA-N -1 3 303.383 3.309 20 10 DGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C)c1C ZINC000151871675 432284448 /nfs/dbraw/zinc/28/44/48/432284448.db2.gz OOHHAKBBPVPPHA-UHFFFAOYSA-N -1 3 321.398 3.127 20 10 DGCDHM C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185674285 432522091 /nfs/dbraw/zinc/52/20/91/432522091.db2.gz VDCSXADDZVQGKQ-POJUEXTFSA-N -1 3 303.789 3.355 20 10 DGCDHM C[C@@H](N[C@H](CO)c1c(F)cccc1F)c1cc(F)ccc1[O-] ZINC000273465869 432601711 /nfs/dbraw/zinc/60/17/11/432601711.db2.gz IUJOVISOBYFWLL-YMTOWFKASA-N -1 3 311.303 3.194 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2N2CCCC2)c([O-])c1O ZINC000177667756 432648081 /nfs/dbraw/zinc/64/80/81/432648081.db2.gz MMHZOJILWFXARP-UHFFFAOYSA-N -1 3 312.369 3.259 20 10 DGCDHM C[C@@H](NC[C@@H](O)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000278332572 432891624 /nfs/dbraw/zinc/89/16/24/432891624.db2.gz WNZYDVOJKAGDLS-GPXNAGAYSA-N -1 3 318.122 3.273 20 10 DGCDHM CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278369213 432891865 /nfs/dbraw/zinc/89/18/65/432891865.db2.gz BYUNYPIBLQJQHP-IUCAKERBSA-N -1 3 319.232 3.216 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289957467 432980931 /nfs/dbraw/zinc/98/09/31/432980931.db2.gz YYYDQEVZSMEBOI-WDEREUQCSA-N -1 3 323.742 3.038 20 10 DGCDHM COc1cc(Cl)cc(CN[C@@H](C2CC2)C(F)(F)F)c1[O-] ZINC000290178851 433007849 /nfs/dbraw/zinc/00/78/49/433007849.db2.gz NOKJLSHVHXIWOP-LBPRGKRZSA-N -1 3 309.715 3.485 20 10 DGCDHM CCOCc1nc([C@@H](C)N[C@@H](C)c2ccc(C)cc2[O-])no1 ZINC000290200338 433012153 /nfs/dbraw/zinc/01/21/53/433012153.db2.gz PCAOBAVCMGTDHM-NWDGAFQWSA-N -1 3 305.378 3.032 20 10 DGCDHM CCOCc1nc([C@H](C)N[C@H](C)c2ccc(C)cc2[O-])no1 ZINC000290200336 433012668 /nfs/dbraw/zinc/01/26/68/433012668.db2.gz PCAOBAVCMGTDHM-NEPJUHHUSA-N -1 3 305.378 3.032 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290906603 433204054 /nfs/dbraw/zinc/20/40/54/433204054.db2.gz MQSLDRQAUJSCRK-LBPRGKRZSA-N -1 3 312.200 3.343 20 10 DGCDHM CC[C@H](NCc1cnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000375800453 433570668 /nfs/dbraw/zinc/57/06/68/433570668.db2.gz AQWCZNDXIJJFSY-HNNXBMFYSA-N -1 3 303.381 3.305 20 10 DGCDHM Cc1nc([C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)no1 ZINC000362385745 433675423 /nfs/dbraw/zinc/67/54/23/433675423.db2.gz HADMGNHQERVOFM-LLVKDONJSA-N -1 3 307.781 3.117 20 10 DGCDHM Cc1nnc([C@H](C)NCc2cc(Cl)c(F)cc2[O-])s1 ZINC000293624613 433808647 /nfs/dbraw/zinc/80/86/47/433808647.db2.gz MUQFFPQCHLSVEB-LURJTMIESA-N -1 3 301.774 3.195 20 10 DGCDHM CN(C)c1ccc(CNCc2c(F)ccc([O-])c2F)cc1F ZINC000294345435 434097035 /nfs/dbraw/zinc/09/70/35/434097035.db2.gz SIPALUQJMFMICX-UHFFFAOYSA-N -1 3 310.319 3.165 20 10 DGCDHM CC[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(F)cc1[O-] ZINC000287486631 434373752 /nfs/dbraw/zinc/37/37/52/434373752.db2.gz NBKBDMARTBAQAM-CYBMUJFWSA-N -1 3 306.385 3.119 20 10 DGCDHM COc1ccc([C@H](CO)N(C)Cc2cccc(Cl)c2[O-])cc1 ZINC000271780358 295242183 /nfs/dbraw/zinc/24/21/83/295242183.db2.gz HPWWRRJIUHZPTC-INIZCTEOSA-N -1 3 321.804 3.220 20 10 DGCDHM [O-]c1ccc2ccccc2c1CN1CCn2c(nnc2C2CC2)C1 ZINC000371635417 434732434 /nfs/dbraw/zinc/73/24/34/434732434.db2.gz WJZTYYLVIAREBC-UHFFFAOYSA-N -1 3 320.396 3.030 20 10 DGCDHM Cc1nc([C@@H]2CCCCN2Cc2cc(Cl)ccc2[O-])no1 ZINC000372839450 302626039 /nfs/dbraw/zinc/62/60/39/302626039.db2.gz RVKVURJHRMQGRJ-ZDUSSCGKSA-N -1 3 307.781 3.464 20 10 DGCDHM COCCC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000529638301 340765941 /nfs/dbraw/zinc/76/59/41/340765941.db2.gz PEEOBFYRSVGRFN-UHFFFAOYSA-N -1 3 301.789 3.433 20 10 DGCDHM CC(C)(NCc1cccc(Cl)c1[O-])C(=O)NCC1CCCC1 ZINC000182660542 519324760 /nfs/dbraw/zinc/32/47/60/519324760.db2.gz SDAGSKIVMTYKCD-UHFFFAOYSA-N -1 3 324.852 3.220 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CC1CC1 ZINC000266568257 521287320 /nfs/dbraw/zinc/28/73/20/521287320.db2.gz WYHRWUCAEDZYOQ-UHFFFAOYSA-N -1 3 312.207 3.303 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000189430318 523829836 /nfs/dbraw/zinc/82/98/36/523829836.db2.gz JXAGYDIMNVJHEQ-UHFFFAOYSA-N -1 3 305.399 3.372 20 10 DGCDHM Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(F)ccc1[O-] ZINC000179884631 524272222 /nfs/dbraw/zinc/27/22/22/524272222.db2.gz UYXFABODXBYBEE-UHFFFAOYSA-N -1 3 316.376 3.219 20 10 DGCDHM CSCc1cccc(CNCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000189476149 525737254 /nfs/dbraw/zinc/73/72/54/525737254.db2.gz SQVLKGMWJFMENF-UHFFFAOYSA-N -1 3 318.398 3.453 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)c([O-])c1O ZINC000182577332 526125118 /nfs/dbraw/zinc/12/51/18/526125118.db2.gz BLKTYJNOMLLVJT-UKRRQHHQSA-N -1 3 311.381 3.424 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000179936458 526349934 /nfs/dbraw/zinc/34/99/34/526349934.db2.gz KOMRBGQTQAVGHX-QGZVFWFLSA-N -1 3 305.324 3.244 20 10 DGCDHM CN(C)CCN(Cc1ccco1)Cc1cccc(Cl)c1[O-] ZINC000289425777 535868742 /nfs/dbraw/zinc/86/87/42/535868742.db2.gz JVVBYWMWKMQOJF-UHFFFAOYSA-N -1 3 308.809 3.202 20 10 DGCDHM CO[C@H](C)c1nc(CN[C@@H]2CCc3cccc([O-])c32)cs1 ZINC000297946438 536513080 /nfs/dbraw/zinc/51/30/80/536513080.db2.gz YJSFVOGHRQBIBQ-ZWNOBZJWSA-N -1 3 304.415 3.333 20 10 DGCDHM CC[C@@H]1C(=O)NCCN1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000730257243 574522880 /nfs/dbraw/zinc/52/28/80/574522880.db2.gz WUUZPUQYMHNEDD-OAHLLOKOSA-N -1 3 324.380 3.002 20 10 DGCDHM Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1cc([O-])cs1 ZINC000731870361 574560626 /nfs/dbraw/zinc/56/06/26/574560626.db2.gz WXJJGUGZNOXJEF-UHFFFAOYSA-N -1 3 316.382 3.363 20 10 DGCDHM COCCOc1cc(C)ccc1NC(=O)c1cc([O-])cs1 ZINC000731870115 574560704 /nfs/dbraw/zinc/56/07/04/574560704.db2.gz CKNNMRMOHSVBRP-UHFFFAOYSA-N -1 3 307.371 3.040 20 10 DGCDHM O=C(NCc1cccc(C(F)(F)F)c1)c1cc([O-])cs1 ZINC000731866890 574561182 /nfs/dbraw/zinc/56/11/82/574561182.db2.gz TZOJZVBNHUPYRB-UHFFFAOYSA-N -1 3 301.289 3.403 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCN(c2ccccc2Cl)CC1 ZINC000731868434 574561404 /nfs/dbraw/zinc/56/14/04/574561404.db2.gz YZGCPGCFHPVLPE-UHFFFAOYSA-N -1 3 322.817 3.070 20 10 DGCDHM CC(C)N(C(=O)COC(=O)c1cc([O-])cs1)c1ccccc1 ZINC000731910591 574561837 /nfs/dbraw/zinc/56/18/37/574561837.db2.gz SYGDBRJVTHFAPZ-UHFFFAOYSA-N -1 3 319.382 3.052 20 10 DGCDHM CN(CCCOc1ccc(F)cc1)C(=O)c1cc([O-])cs1 ZINC000732270389 574569683 /nfs/dbraw/zinc/56/96/83/574569683.db2.gz ADJPEHZQXJNLEH-UHFFFAOYSA-N -1 3 309.362 3.134 20 10 DGCDHM CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc([O-])cs1 ZINC000732277335 574570217 /nfs/dbraw/zinc/57/02/17/574570217.db2.gz GBBQGRCERDCPGQ-UHFFFAOYSA-N -1 3 315.398 3.035 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC(OC2CCCCC2)CC1 ZINC000732278994 574570595 /nfs/dbraw/zinc/57/05/95/574570595.db2.gz BOYQCFJDWFVKTC-UHFFFAOYSA-N -1 3 309.431 3.408 20 10 DGCDHM O=C(NCc1cc(-c2ccccc2)on1)c1cc([O-])cs1 ZINC000732281910 574570654 /nfs/dbraw/zinc/57/06/54/574570654.db2.gz FOJHDJPMPZHOBR-UHFFFAOYSA-N -1 3 300.339 3.039 20 10 DGCDHM CC(C)c1ccccc1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353852 574572157 /nfs/dbraw/zinc/57/21/57/574572157.db2.gz BMUKTZWTWAFIMM-UHFFFAOYSA-N -1 3 319.382 3.373 20 10 DGCDHM COc1ccc(OCCCOC(=O)c2cc([O-])cs2)cc1 ZINC000732354594 574572382 /nfs/dbraw/zinc/57/23/82/574572382.db2.gz WVODCCALBDHVIM-UHFFFAOYSA-N -1 3 308.355 3.088 20 10 DGCDHM CC(=O)Nc1ccc(CNCc2c([O-])cccc2Cl)cc1 ZINC000733322141 574615466 /nfs/dbraw/zinc/61/54/66/574615466.db2.gz ADRAYDJLIKZJQF-UHFFFAOYSA-N -1 3 304.777 3.294 20 10 DGCDHM [O-]c1cccc(Cl)c1CNCc1cccc2c1OCCO2 ZINC000733331565 574617186 /nfs/dbraw/zinc/61/71/86/574617186.db2.gz GXQHDMVGRPXVDX-UHFFFAOYSA-N -1 3 305.761 3.107 20 10 DGCDHM O=C(N[C@H](c1ccccc1)C1CCOCC1)c1cc([O-])cs1 ZINC000734555025 574667168 /nfs/dbraw/zinc/66/71/68/574667168.db2.gz PTDKUZKURSWEGW-MRXNPFEDSA-N -1 3 317.410 3.351 20 10 DGCDHM CN(C)c1cccc([C@H]2CCCN2C(=O)c2cc([O-])cs2)c1 ZINC000735522777 574704497 /nfs/dbraw/zinc/70/44/97/574704497.db2.gz YKWGWMVYYNKZRQ-OAHLLOKOSA-N -1 3 316.426 3.497 20 10 DGCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000743637683 575059730 /nfs/dbraw/zinc/05/97/30/575059730.db2.gz LYELGQOZFWEHFK-IINYFYTJSA-N -1 3 321.373 3.195 20 10 DGCDHM C[C@@H]1CN(C(=O)c2cc([O-])cs2)C[C@H](c2ccc(F)cc2)O1 ZINC000743637685 575059733 /nfs/dbraw/zinc/05/97/33/575059733.db2.gz LYELGQOZFWEHFK-QMTHXVAHSA-N -1 3 321.373 3.195 20 10 DGCDHM Cc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1[O-] ZINC000743718571 575062129 /nfs/dbraw/zinc/06/21/29/575062129.db2.gz GHULVGZSINIKDI-UHFFFAOYSA-N -1 3 311.381 3.215 20 10 DGCDHM CCN(CC)C(=O)c1ccc(NC(=O)c2cc([O-])cs2)cc1 ZINC000746297357 575444826 /nfs/dbraw/zinc/44/48/26/575444826.db2.gz VQLRLGQOTNGDEG-UHFFFAOYSA-N -1 3 318.398 3.188 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(OC(C)C)CC2)c1[O-] ZINC000750826776 575753832 /nfs/dbraw/zinc/75/38/32/575753832.db2.gz YLBVBGBUQHQVOA-UHFFFAOYSA-N -1 3 309.381 3.123 20 10 DGCDHM CCCN(Cc1cn(-c2ccccc2)nn1)Cc1ccccc1[O-] ZINC000727830961 576148461 /nfs/dbraw/zinc/14/84/61/576148461.db2.gz YFYDHGJMKJSJQE-UHFFFAOYSA-N -1 3 322.412 3.385 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC1CC(c2ccccc2)C1 ZINC000916609839 620638860 /nfs/dbraw/zinc/63/88/60/620638860.db2.gz VDCCICHHKLVCAV-UHFFFAOYSA-N -1 3 314.360 3.277 20 10 DGCDHM CC[C@H](NC(=O)NCc1c([O-])cccc1F)c1nc(C)cs1 ZINC000917023480 620652480 /nfs/dbraw/zinc/65/24/80/620652480.db2.gz FPQXKTYSBDKVAQ-LBPRGKRZSA-N -1 3 323.393 3.247 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000895326991 618595512 /nfs/dbraw/zinc/59/55/12/618595512.db2.gz KEJNBFQDHPLODY-RKDXNWHRSA-N -1 3 300.171 3.136 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)cc(F)c2[O-])cc1OC ZINC000893897974 618671511 /nfs/dbraw/zinc/67/15/11/618671511.db2.gz SQOUSCSEPFASGX-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000895422797 618783513 /nfs/dbraw/zinc/78/35/13/618783513.db2.gz OITWFUTZIWQABA-DOTOQJQBSA-N -1 3 319.351 3.368 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000895422798 618783682 /nfs/dbraw/zinc/78/36/82/618783682.db2.gz OITWFUTZIWQABA-NVXWUHKLSA-N -1 3 319.351 3.368 20 10 DGCDHM CCOc1cc(CNCc2c([O-])cccc2F)c(F)cc1OC ZINC000896644563 618938424 /nfs/dbraw/zinc/93/84/24/618938424.db2.gz XLARVCQNIQXJJC-UHFFFAOYSA-N -1 3 323.339 3.368 20 10 DGCDHM CN(Cc1cccn1C)Cc1c([O-])cccc1Br ZINC000862246981 619107375 /nfs/dbraw/zinc/10/73/75/619107375.db2.gz FDIUDPQLKGLKOH-UHFFFAOYSA-N -1 3 309.207 3.125 20 10 DGCDHM CC[C@H](N[C@@H](c1nncn1C)C(C)C)c1ccc(F)cc1[O-] ZINC000903063015 619708689 /nfs/dbraw/zinc/70/86/89/619708689.db2.gz AXTIGQCOPZPVFJ-DZGCQCFKSA-N -1 3 306.385 3.098 20 10 DGCDHM C[C@H](N[C@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903326705 619761569 /nfs/dbraw/zinc/76/15/69/619761569.db2.gz MUWKNKVFYZKIBL-XPTSAGLGSA-N -1 3 305.328 3.262 20 10 DGCDHM C[C@@H](N[C@@H](c1ncccn1)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000903326706 619761891 /nfs/dbraw/zinc/76/18/91/619761891.db2.gz MUWKNKVFYZKIBL-YMTOWFKASA-N -1 3 305.328 3.262 20 10 DGCDHM Nc1ccc2c(c1)CN(Cc1c([O-])cccc1Cl)CCO2 ZINC000903947355 619844104 /nfs/dbraw/zinc/84/41/04/619844104.db2.gz SCJVBWCXVNMHIU-UHFFFAOYSA-N -1 3 304.777 3.022 20 10 DGCDHM O=C(NCC[C@@H]1CCCC1(F)F)NCc1c([O-])cccc1F ZINC000924005356 620571707 /nfs/dbraw/zinc/57/17/07/620571707.db2.gz BZBCKVLHRKTWRF-JTQLQIEISA-N -1 3 316.323 3.156 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000769498221 620886230 /nfs/dbraw/zinc/88/62/30/620886230.db2.gz SCWKDSQNQIFSAW-UFBFGSQYSA-N -1 3 309.715 3.197 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc2c1OCC2 ZINC000922945284 621135045 /nfs/dbraw/zinc/13/50/45/621135045.db2.gz WAMJCKCIPVPWKC-UHFFFAOYSA-N -1 3 307.752 3.409 20 10 DGCDHM C[C@@H]1C[C@@H](NCc2c([O-])cccc2Br)c2nccn21 ZINC000858172485 621161112 /nfs/dbraw/zinc/16/11/12/621161112.db2.gz WGBROZUXFMPELF-BXKDBHETSA-N -1 3 322.206 3.147 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc3c2OCC3)c1 ZINC000858478481 621196188 /nfs/dbraw/zinc/19/61/88/621196188.db2.gz ROCUZNIUYAVNIT-LLVKDONJSA-N -1 3 313.353 3.287 20 10 DGCDHM COc1cccc2c1CN(Cc1cc(F)cc(C(C)=O)c1[O-])C2 ZINC000859938111 621348057 /nfs/dbraw/zinc/34/80/57/621348057.db2.gz MITFJRJYGLJFNE-UHFFFAOYSA-N -1 3 315.344 3.258 20 10 DGCDHM Cc1cc(NC(=O)c2ccc(C)c(O)c2[O-])nn1[C@@H](C)C1CC1 ZINC000752820396 621411901 /nfs/dbraw/zinc/41/19/01/621411901.db2.gz MALBPKLBRUGKDY-NSHDSACASA-N -1 3 315.373 3.134 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)[C@H](C)[C@H](C)O1 ZINC000862337550 621575638 /nfs/dbraw/zinc/57/56/38/621575638.db2.gz WYVPKAQWTFZCIK-MXWKQRLJSA-N -1 3 314.223 3.152 20 10 DGCDHM CC[C@]1(C)CN(Cc2c([O-])cccc2Br)CCO1 ZINC000862337118 621575829 /nfs/dbraw/zinc/57/58/29/621575829.db2.gz RBDOHABIFQCQOB-CQSZACIVSA-N -1 3 314.223 3.156 20 10 DGCDHM C[C@@H](NCc1cn2ccccc2n1)c1cc(F)cc(F)c1[O-] ZINC000756362157 621631575 /nfs/dbraw/zinc/63/15/75/621631575.db2.gz IXLUGNBZZYUINA-SNVBAGLBSA-N -1 3 303.312 3.169 20 10 DGCDHM C[C@@H](NCc1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756549900 621647278 /nfs/dbraw/zinc/64/72/78/621647278.db2.gz PLBPSKPYHNABCR-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM COc1ccccc1[C@@H](CO)N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710188 621659621 /nfs/dbraw/zinc/65/96/21/621659621.db2.gz BUXUAQJUSYWULX-MEBBXXQBSA-N -1 3 323.339 3.063 20 10 DGCDHM C[C@@H](NCc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756788164 621664730 /nfs/dbraw/zinc/66/47/30/621664730.db2.gz BLTPEFAJEMXBTN-SECBINFHSA-N -1 3 307.737 3.200 20 10 DGCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(F)c1 ZINC000864042486 621730794 /nfs/dbraw/zinc/73/07/94/621730794.db2.gz OEOLFXACNQBRJK-UHFFFAOYSA-N -1 3 322.292 3.069 20 10 DGCDHM C[C@H](NCc1nn(C)c2ccccc12)c1cc(F)cc(F)c1[O-] ZINC000760895484 621972431 /nfs/dbraw/zinc/97/24/31/621972431.db2.gz AJGPUTZIFZPEES-JTQLQIEISA-N -1 3 317.339 3.408 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1nnc(-c2ccncc2)o1 ZINC000764922089 622233036 /nfs/dbraw/zinc/23/30/36/622233036.db2.gz VUCOGOANVBYRCC-UHFFFAOYSA-N -1 3 302.721 3.103 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C(F)(F)F)O1 ZINC000769497788 622534054 /nfs/dbraw/zinc/53/40/54/622534054.db2.gz SCWKDSQNQIFSAW-PELKAZGASA-N -1 3 309.715 3.197 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1CC(F)F ZINC000769514729 622536851 /nfs/dbraw/zinc/53/68/51/622536851.db2.gz NSCYVGSWRWXYGE-CYBMUJFWSA-N -1 3 318.795 3.207 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc3c2OC(C)(C)C3)c([O-])c1O ZINC000789883130 625575127 /nfs/dbraw/zinc/57/51/27/625575127.db2.gz FODJKSJOGPQIGU-UHFFFAOYSA-N -1 3 313.353 3.372 20 10 DGCDHM COc1cc(SC)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000773252778 623005144 /nfs/dbraw/zinc/00/51/44/623005144.db2.gz WMIMLHZGTPTZEB-UHFFFAOYSA-N -1 3 319.382 3.389 20 10 DGCDHM Cc1nccnc1[C@H](C)NCc1cccc(Br)c1[O-] ZINC000873187709 623067364 /nfs/dbraw/zinc/06/73/64/623067364.db2.gz ARRXPACKXLBVBK-JTQLQIEISA-N -1 3 322.206 3.104 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cccc2c1OCCO2 ZINC000775764489 623328140 /nfs/dbraw/zinc/32/81/40/623328140.db2.gz YRDVZWKINDIYFL-UHFFFAOYSA-N -1 3 323.751 3.246 20 10 DGCDHM CN1C(=O)COc2ccc(NCc3c([O-])cccc3Cl)cc21 ZINC000776219539 623398526 /nfs/dbraw/zinc/39/85/26/623398526.db2.gz GMIFPZFKSMROKY-UHFFFAOYSA-N -1 3 318.760 3.013 20 10 DGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1F ZINC000776658884 623449769 /nfs/dbraw/zinc/44/97/69/623449769.db2.gz YROADHDDWNARQS-CYBMUJFWSA-N -1 3 307.296 3.257 20 10 DGCDHM C[C@@H]1CCN2[C@@H](C1)C(=O)N[C@@H]2c1cc(-c2ccccc2)ccc1[O-] ZINC000777901498 623582723 /nfs/dbraw/zinc/58/27/23/623582723.db2.gz YXWDROSLVMXRIN-FMEYXAORSA-N -1 3 322.408 3.288 20 10 DGCDHM CN(Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(F)c1[O-] ZINC000876547067 623639847 /nfs/dbraw/zinc/63/98/47/623639847.db2.gz GXLHMLFAGQAMME-UHFFFAOYSA-N -1 3 307.296 3.031 20 10 DGCDHM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000790538229 625667578 /nfs/dbraw/zinc/66/75/78/625667578.db2.gz FMFXVARYWHSPGE-GFCCVEGCSA-N -1 3 315.369 3.376 20 10 DGCDHM C[C@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1[O-] ZINC000790544501 625667596 /nfs/dbraw/zinc/66/75/96/625667596.db2.gz XLZNDMWPZAAJCX-SNVBAGLBSA-N -1 3 305.761 3.112 20 10 DGCDHM COCCCN(Cc1ccncc1)Cc1ccc(F)c(F)c1[O-] ZINC000877526038 623924421 /nfs/dbraw/zinc/92/44/21/623924421.db2.gz OVBLZVBBYYURBD-UHFFFAOYSA-N -1 3 322.355 3.104 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nc2ccccc2s1 ZINC000790717918 625690164 /nfs/dbraw/zinc/69/01/64/625690164.db2.gz FJVGHTFYKDKNPE-VIFPVBQESA-N -1 3 314.366 3.199 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)c1ccc(F)cc1 ZINC000790744276 625692115 /nfs/dbraw/zinc/69/21/15/625692115.db2.gz AMAJXWUOSPAHDR-NSHDSACASA-N -1 3 303.333 3.460 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c([O-])c1O ZINC000780921388 623998028 /nfs/dbraw/zinc/99/80/28/623998028.db2.gz ACNMSQTUNKWEAI-UHFFFAOYSA-N -1 3 315.354 3.110 20 10 DGCDHM COCCOc1ccc(NCc2c([O-])cccc2Cl)cn1 ZINC000127267408 624333238 /nfs/dbraw/zinc/33/32/38/624333238.db2.gz NEHVHFRMKAPWKS-UHFFFAOYSA-N -1 3 308.765 3.078 20 10 DGCDHM CC[C@H](CSc1ccccc1)NC(=O)c1cccc(O)c1[O-] ZINC000790904247 625713928 /nfs/dbraw/zinc/71/39/28/625713928.db2.gz STEFYGHARSYPDY-GFCCVEGCSA-N -1 3 317.410 3.399 20 10 DGCDHM Cn1cnc(-c2ccc(NCc3c([O-])cccc3Cl)cc2)n1 ZINC000783645478 624379134 /nfs/dbraw/zinc/37/91/34/624379134.db2.gz IELUKHUOIUIMOP-UHFFFAOYSA-N -1 3 314.776 3.453 20 10 DGCDHM CC(C)(C)Cc1csc(NC(=O)c2cccc(O)c2[O-])n1 ZINC000790919313 625715959 /nfs/dbraw/zinc/71/59/59/625715959.db2.gz MGTWZAUMQKWBKR-UHFFFAOYSA-N -1 3 306.387 3.395 20 10 DGCDHM CC[C@H](C)n1ncc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000791585938 625829625 /nfs/dbraw/zinc/82/96/25/625829625.db2.gz WRWOUOJDXBFEAC-JTQLQIEISA-N -1 3 303.362 3.134 20 10 DGCDHM CCCCn1ncc(NC(=O)c2cccc(O)c2[O-])c1C(C)C ZINC000791640632 625838752 /nfs/dbraw/zinc/83/87/52/625838752.db2.gz DSXCEDKSEJWCPF-UHFFFAOYSA-N -1 3 317.389 3.470 20 10 DGCDHM CC[C@@H](C)c1nnc([C@@H](C)NCc2cc(F)cc(F)c2[O-])[nH]1 ZINC000883102170 625928844 /nfs/dbraw/zinc/92/88/44/625928844.db2.gz IJCDXUHPEAMFDH-RKDXNWHRSA-N -1 3 310.348 3.153 20 10 DGCDHM CC[C@@H](C)c1nc([C@@H](C)NCc2cc(F)cc(F)c2[O-])n[nH]1 ZINC000883102170 625928848 /nfs/dbraw/zinc/92/88/48/625928848.db2.gz IJCDXUHPEAMFDH-RKDXNWHRSA-N -1 3 310.348 3.153 20 10 DGCDHM CC[C@H](Nc1cccc(C(N)=O)c1OC)c1ccc(F)cc1[O-] ZINC000796935912 626097359 /nfs/dbraw/zinc/09/73/59/626097359.db2.gz HTGBJKJJSWNXLA-ZDUSSCGKSA-N -1 3 318.348 3.202 20 10 DGCDHM COc1ccc2c(c1)OCCN(Cc1c([O-])cccc1Cl)C2 ZINC000802659863 626565823 /nfs/dbraw/zinc/56/58/23/626565823.db2.gz YGKAOMHHRNHGDO-UHFFFAOYSA-N -1 3 319.788 3.449 20 10 DGCDHM COc1cc(CCO)ccc1NCc1c([O-])cccc1Cl ZINC000809654530 626933418 /nfs/dbraw/zinc/93/34/18/626933418.db2.gz GMKDXUAPUYDIBU-UHFFFAOYSA-N -1 3 307.777 3.201 20 10 DGCDHM C[C@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1[O-] ZINC000809696751 626937961 /nfs/dbraw/zinc/93/79/61/626937961.db2.gz QCUXRVBXXHLMBX-QPUJVOFHSA-N -1 3 309.715 3.197 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCC2(C1)Oc1ccccc1O2 ZINC000809790055 626953925 /nfs/dbraw/zinc/95/39/25/626953925.db2.gz VJMBGEHYXOYZRD-UHFFFAOYSA-N -1 3 317.772 3.419 20 10 DGCDHM COc1ccc(OC)c(CN[C@@H](C)c2c([O-])cccc2F)c1 ZINC000886494974 627152890 /nfs/dbraw/zinc/15/28/90/627152890.db2.gz COVFTBHXODYKJZ-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM COc1ccc(CN[C@H](C)c2c([O-])cccc2F)c(OC)c1 ZINC000886507465 627154602 /nfs/dbraw/zinc/15/46/02/627154602.db2.gz MCOKUSWSAJHTDL-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM C[C@@H](NCc1nccn1CC(F)(F)F)c1c([O-])cccc1F ZINC000886522243 627155972 /nfs/dbraw/zinc/15/59/72/627155972.db2.gz FSRQCSJVPMHBDN-SECBINFHSA-N -1 3 317.286 3.141 20 10 DGCDHM C[C@@H](NC1(C(=O)Nc2ccccc2)CC1)c1c([O-])cccc1F ZINC000886594149 627169298 /nfs/dbraw/zinc/16/92/98/627169298.db2.gz GUPIRHGTPDOSEK-GFCCVEGCSA-N -1 3 314.360 3.353 20 10 DGCDHM C[C@H](NCc1c(C(F)(F)F)cnn1C)c1c([O-])cccc1F ZINC000886641245 627178432 /nfs/dbraw/zinc/17/84/32/627178432.db2.gz DMCLSEIDKWFIFX-QMMMGPOBSA-N -1 3 317.286 3.134 20 10 DGCDHM CON(C)C(=O)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000811840150 627328380 /nfs/dbraw/zinc/32/83/80/627328380.db2.gz OZHVWZYDPOVDKG-UHFFFAOYSA-N -1 3 320.776 3.291 20 10 DGCDHM Cc1cccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000889889151 627477603 /nfs/dbraw/zinc/47/76/03/627477603.db2.gz KOTAGGYRXGQMOL-MRXNPFEDSA-N -1 3 314.385 3.318 20 10 DGCDHM COc1nn(C)cc1N[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815619033 627691742 /nfs/dbraw/zinc/69/17/42/627691742.db2.gz AIKXVJYCBSYWQD-QMMMGPOBSA-N -1 3 315.295 3.326 20 10 DGCDHM Cc1cccc2nc(CNCc3cc(Cl)c(F)cc3[O-])cn21 ZINC000816546963 627804949 /nfs/dbraw/zinc/80/49/49/627804949.db2.gz DJCWVTLBWCLSLK-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(Cl)c(F)cc2[O-])cn1 ZINC000816568927 627809260 /nfs/dbraw/zinc/80/92/60/627809260.db2.gz TWHFJCCRHPGGQV-UHFFFAOYSA-N -1 3 310.756 3.220 20 10 DGCDHM COCCN(Cc1ccccn1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816610626 627814185 /nfs/dbraw/zinc/81/41/85/627814185.db2.gz RQZNSKDTUOIMRX-UHFFFAOYSA-N -1 3 324.783 3.228 20 10 DGCDHM CC(C)[C@@]1(CO)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000816662142 627821769 /nfs/dbraw/zinc/82/17/69/627821769.db2.gz IPUKEEJFGJTERJ-INIZCTEOSA-N -1 3 315.816 3.415 20 10 DGCDHM C[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000817412538 627896531 /nfs/dbraw/zinc/89/65/31/627896531.db2.gz MJWQCBXQVVECKO-NXEZZACHSA-N -1 3 304.217 3.149 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000817597947 627928546 /nfs/dbraw/zinc/92/85/46/627928546.db2.gz LEMWZVSHNZRDJL-GFCCVEGCSA-N -1 3 317.772 3.381 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000817597948 627928760 /nfs/dbraw/zinc/92/87/60/627928760.db2.gz LEMWZVSHNZRDJL-LBPRGKRZSA-N -1 3 317.772 3.381 20 10 DGCDHM COc1cccc(C(C)(C)C(=O)NCc2c([O-])cccc2F)c1 ZINC000928710903 628179937 /nfs/dbraw/zinc/17/99/37/628179937.db2.gz XIOATQUPOIJAHH-UHFFFAOYSA-N -1 3 317.360 3.134 20 10 DGCDHM CCOc1cccc(CCC(=O)NCc2c([O-])cccc2F)c1 ZINC000928708373 628180007 /nfs/dbraw/zinc/18/00/07/628180007.db2.gz GMEAXSIRKXBUQG-UHFFFAOYSA-N -1 3 317.360 3.179 20 10 DGCDHM CC(C)Oc1ccccc1CC(=O)NCc1c([O-])cccc1F ZINC000928710398 628180431 /nfs/dbraw/zinc/18/04/31/628180431.db2.gz CWHFTZQCJRLKCL-UHFFFAOYSA-N -1 3 317.360 3.177 20 10 DGCDHM C[C@]1(F)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000824472366 628663249 /nfs/dbraw/zinc/66/32/49/628663249.db2.gz RBQULNCXFVQTMH-ZDUSSCGKSA-N -1 3 302.187 3.479 20 10 DGCDHM Cc1cc(CN(C)Cc2ccc(Br)cc2[O-])no1 ZINC000824581043 628672941 /nfs/dbraw/zinc/67/29/41/628672941.db2.gz OJGQQOFXOYPHDN-UHFFFAOYSA-N -1 3 311.179 3.083 20 10 DGCDHM COCC1(C2CCC2)CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000827011502 628912713 /nfs/dbraw/zinc/91/27/13/628912713.db2.gz KETJBODHISIJSU-UHFFFAOYSA-N -1 3 313.800 3.433 20 10 DGCDHM CC1(C)Cc2n[nH]cc2CN(Cc2cccc(Cl)c2[O-])C1 ZINC000828013703 629014101 /nfs/dbraw/zinc/01/41/01/629014101.db2.gz HXSOLRYTDFRQGI-UHFFFAOYSA-N -1 3 305.809 3.353 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](OC(C)C)C2)c1[O-] ZINC000828850705 629100336 /nfs/dbraw/zinc/10/03/36/629100336.db2.gz OTKUVBJKIVMHNA-CQSZACIVSA-N -1 3 311.809 3.248 20 10 DGCDHM CCc1oc(C(=O)[O-])cc1CN[C@H](C)c1cc(OC)ccc1O ZINC000833680951 629640845 /nfs/dbraw/zinc/64/08/45/629640845.db2.gz RFNAVHWXOZGVHV-SNVBAGLBSA-N -1 3 319.357 3.105 20 10 DGCDHM C[C@@H](N[C@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831542 629786123 /nfs/dbraw/zinc/78/61/23/629786123.db2.gz JUXLDMKATUXMNN-SKDRFNHKSA-N -1 3 311.307 3.403 20 10 DGCDHM C[C@@H](NCc1nccc(C(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000840869648 630369596 /nfs/dbraw/zinc/36/95/96/630369596.db2.gz NMKRRYAUYOSBCW-MRVPVSSYSA-N -1 3 315.270 3.191 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956714 630385379 /nfs/dbraw/zinc/38/53/79/630385379.db2.gz CSLURHRDQUVURS-GOEBONIOSA-N -1 3 321.779 3.493 20 10 DGCDHM CCN(C(C)=O)c1ccc(NCc2c([O-])cccc2Cl)cn1 ZINC000849347062 631899294 /nfs/dbraw/zinc/89/92/94/631899294.db2.gz PIDCATZCMQFTJQ-UHFFFAOYSA-N -1 3 319.792 3.426 20 10 DGCDHM COc1cccc(OC)c1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000850505608 632174603 /nfs/dbraw/zinc/17/46/03/632174603.db2.gz TZLQYLGIDSFXJB-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM COc1ccnc(CN[C@@H](C)c2ccc(Cl)cc2[O-])c1F ZINC000850537472 632185781 /nfs/dbraw/zinc/18/57/81/632185781.db2.gz VQBPJBYKMDHHBW-VIFPVBQESA-N -1 3 310.756 3.439 20 10 DGCDHM O=C(Nc1ccc(F)cc1OCC1CC1)c1cccc(O)c1[O-] ZINC000185720223 660238077 /nfs/dbraw/zinc/23/80/77/660238077.db2.gz YMBCLRBWFVKXBL-UHFFFAOYSA-N -1 3 317.316 3.278 20 10 DGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)O1 ZINC000707140241 660887245 /nfs/dbraw/zinc/88/72/45/660887245.db2.gz OONJAKYWLBGTQH-MNOVXSKESA-N -1 3 314.223 3.154 20 10 DGCDHM CN(C)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl ZINC000794233261 661073446 /nfs/dbraw/zinc/07/34/46/661073446.db2.gz MDDQZIQXBKWYIA-UHFFFAOYSA-N -1 3 320.776 3.065 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(-c3ncc[nH]3)cc2)c([O-])c1O ZINC000179465841 655893418 /nfs/dbraw/zinc/89/34/18/655893418.db2.gz RDKVVFFIRAKZCQ-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(C(F)F)CC2)c1[O-] ZINC000307882960 656000665 /nfs/dbraw/zinc/00/06/65/656000665.db2.gz UVVPEWFVKSBDRY-UHFFFAOYSA-N -1 3 301.308 3.211 20 10 DGCDHM CC(C)c1cccc2c1CCN(C(=O)c1cccc(O)c1[O-])C2 ZINC000188113359 661916203 /nfs/dbraw/zinc/91/62/03/661916203.db2.gz XRVFVGQPDKTWLY-UHFFFAOYSA-N -1 3 311.381 3.420 20 10 DGCDHM CCc1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000192975716 662118771 /nfs/dbraw/zinc/11/87/71/662118771.db2.gz BGXLJQQCDWQURE-UHFFFAOYSA-N -1 3 311.381 3.465 20 10 DGCDHM Cc1ccc(C(C)(C)CN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000193101413 662122647 /nfs/dbraw/zinc/12/26/47/662122647.db2.gz VMRVNYOJBBSIML-UHFFFAOYSA-N -1 3 313.397 3.456 20 10 DGCDHM CCN(CC)c1ccc(CNc2ccccc2-c2nnn[n-]2)cc1 ZINC001590688666 1192533939 /nfs/dbraw/zinc/53/39/39/1192533939.db2.gz GRQUFQSOHOISLI-UHFFFAOYSA-N -1 3 322.416 3.325 20 10 DGCDHM CCN(CC)c1ccc(CNc2ccccc2-c2nn[n-]n2)cc1 ZINC001590688666 1192533941 /nfs/dbraw/zinc/53/39/41/1192533941.db2.gz GRQUFQSOHOISLI-UHFFFAOYSA-N -1 3 322.416 3.325 20 10 DGCDHM Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)[O-])c2ccccc2F)c1[O-] ZINC001600218889 1192812120 /nfs/dbraw/zinc/81/21/20/1192812120.db2.gz DZGICPIRHGIUNS-AWEZNQCLSA-N -1 3 323.751 3.409 20 10 DGCDHM Cc1ccc(CN[C@H](C)c2cc(C(=O)[O-])ccc2O)c(Cl)n1 ZINC001600419182 1192849773 /nfs/dbraw/zinc/84/97/73/1192849773.db2.gz LODOIYPHZMIKJZ-SNVBAGLBSA-N -1 3 320.776 3.298 20 10 DGCDHM Cc1ccc(O)c(CN2CCc3c(F)ccc(C(=O)[O-])c3C2)c1 ZINC001600464461 1192857907 /nfs/dbraw/zinc/85/79/07/1192857907.db2.gz CCTPCCMBRXXGTB-UHFFFAOYSA-N -1 3 315.344 3.096 20 10 DGCDHM Cc1ccc(O)c([C@H](C)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001600465014 1192857953 /nfs/dbraw/zinc/85/79/53/1192857953.db2.gz NIBCWRAZCZRAMP-JTQLQIEISA-N -1 3 320.776 3.298 20 10 DGCDHM Cc1ccc(O)c([C@@H](C)NCc2ccc(Cl)c(C(=O)[O-])n2)c1 ZINC001600465015 1192858178 /nfs/dbraw/zinc/85/81/78/1192858178.db2.gz NIBCWRAZCZRAMP-SNVBAGLBSA-N -1 3 320.776 3.298 20 10 DGCDHM CCc1cc(C(=O)NCc2c([O-])cccc2F)cc(Cl)n1 ZINC001646033771 1195211119 /nfs/dbraw/zinc/21/11/19/1195211119.db2.gz FAYHQDUTBAFOPS-UHFFFAOYSA-N -1 3 308.740 3.072 20 10 DGCDHM C[C@H]([NH2+]CCc1ccc(F)cc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604342604 1193067377 /nfs/dbraw/zinc/06/73/77/1193067377.db2.gz ZASHKZLXFINSRG-NSHDSACASA-N -1 3 303.333 3.123 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1nc(Cl)sc1Cl ZINC001456029429 1182393538 /nfs/dbraw/zinc/39/35/38/1182393538.db2.gz NKKZFCFQTZKVEW-UHFFFAOYSA-N -1 3 321.160 3.225 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(C(F)(F)F)c1 ZINC001456090545 1182396939 /nfs/dbraw/zinc/39/69/39/1182396939.db2.gz LXMCXHLDGQFCQO-UHFFFAOYSA-N -1 3 313.250 3.480 20 10 DGCDHM Cc1cc([O-])c(CNCc2cn3ccsc3n2)c(Cl)c1 ZINC001461116874 1182770654 /nfs/dbraw/zinc/77/06/54/1182770654.db2.gz QTQIRWTZGUSXRW-UHFFFAOYSA-N -1 3 307.806 3.353 20 10 DGCDHM CCNC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])c(C)c1 ZINC001462272934 1182931352 /nfs/dbraw/zinc/93/13/52/1182931352.db2.gz OQGQZTDYDINHKZ-UHFFFAOYSA-N -1 3 320.339 3.341 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@@H](CCO)c1ccccc1F ZINC001462368143 1182943890 /nfs/dbraw/zinc/94/38/90/1182943890.db2.gz GVIAJNINQUWOQP-HNNXBMFYSA-N -1 3 311.303 3.023 20 10 DGCDHM CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1OC ZINC001470866920 1183519787 /nfs/dbraw/zinc/51/97/87/1183519787.db2.gz MDXJHKSZLDIFCX-UHFFFAOYSA-N -1 3 317.341 3.148 20 10 DGCDHM Cc1ccc(Cl)cc1CNC(=O)NCc1c([O-])cccc1F ZINC001471509065 1183569791 /nfs/dbraw/zinc/56/97/91/1183569791.db2.gz OHIYCUZAFYNIMJ-UHFFFAOYSA-N -1 3 322.767 3.493 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001471975713 1183604286 /nfs/dbraw/zinc/60/42/86/1183604286.db2.gz DSQKBLCLALNFBB-QWHCGFSZSA-N -1 3 303.308 3.090 20 10 DGCDHM CC1(C)Cc2cccc(C(=O)NCc3c([O-])cccc3F)c2O1 ZINC001471975844 1183604568 /nfs/dbraw/zinc/60/45/68/1183604568.db2.gz JKHQFZBCOAECDH-UHFFFAOYSA-N -1 3 315.344 3.175 20 10 DGCDHM Cc1cc2nc(Cl)cc(NCc3c([O-])cccc3F)n2n1 ZINC001472883145 1183695055 /nfs/dbraw/zinc/69/50/55/1183695055.db2.gz HNCVNNXNLPPCIH-UHFFFAOYSA-N -1 3 306.728 3.148 20 10 DGCDHM Cc1nc2ccccn2c1CNCc1c([O-])ccc(Cl)c1F ZINC001474292777 1183898465 /nfs/dbraw/zinc/89/84/65/1183898465.db2.gz GFIIDSOWPXJLAL-UHFFFAOYSA-N -1 3 319.767 3.431 20 10 DGCDHM O=C([O-])C1=CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC001608585861 1193294810 /nfs/dbraw/zinc/29/48/10/1193294810.db2.gz FYPBEALXFJNWQR-QGZVFWFLSA-N -1 3 309.365 3.322 20 10 DGCDHM O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001608721869 1193301809 /nfs/dbraw/zinc/30/18/09/1193301809.db2.gz CLZQDLFPDXRMQH-UHFFFAOYSA-N -1 3 321.323 3.147 20 10 DGCDHM O=C([O-])CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1[O-] ZINC001608721869 1193301812 /nfs/dbraw/zinc/30/18/12/1193301812.db2.gz CLZQDLFPDXRMQH-UHFFFAOYSA-N -1 3 321.323 3.147 20 10 DGCDHM C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609750103 1193354134 /nfs/dbraw/zinc/35/41/34/1193354134.db2.gz MCYZRWMVPGJAFK-QWRGUYRKSA-N -1 3 305.399 3.434 20 10 DGCDHM C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609755256 1193354258 /nfs/dbraw/zinc/35/42/58/1193354258.db2.gz YTNCTARQIGXANQ-NEPJUHHUSA-N -1 3 315.369 3.078 20 10 DGCDHM C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778746 1193355318 /nfs/dbraw/zinc/35/53/18/1193355318.db2.gz XOVKTELEQVZKEF-WFASDCNBSA-N -1 3 321.417 3.072 20 10 DGCDHM CCc1oc(C(=O)[O-])cc1CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC001610075159 1193375480 /nfs/dbraw/zinc/37/54/80/1193375480.db2.gz AOHHQZPLTGXVBM-LBPRGKRZSA-N -1 3 316.401 3.457 20 10 DGCDHM Cc1nccn1-c1ncccc1NCc1cc(F)cc(F)c1[O-] ZINC001560425257 1189327808 /nfs/dbraw/zinc/32/78/08/1189327808.db2.gz XWDLNYOLMSTROY-UHFFFAOYSA-N -1 3 316.311 3.172 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@@H]1CCOc2c(F)cccc21 ZINC001560768268 1189376612 /nfs/dbraw/zinc/37/66/12/1189376612.db2.gz VDTNKAQIBUUBJJ-CQSZACIVSA-N -1 3 309.287 3.423 20 10 DGCDHM CN1Cc2c(cccc2NCc2ccc(Cl)cc2[O-])C1=O ZINC001560883074 1189400173 /nfs/dbraw/zinc/40/01/73/1189400173.db2.gz INKFJYIOABFEHY-UHFFFAOYSA-N -1 3 302.761 3.243 20 10 DGCDHM CCC(CC)C(=O)N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001560941586 1189408784 /nfs/dbraw/zinc/40/87/84/1189408784.db2.gz SWPIKNGEDVEKTC-UHFFFAOYSA-N -1 3 324.852 3.126 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@H]1C[C@@H]1C1CCCC1 ZINC001565481153 1189649235 /nfs/dbraw/zinc/64/92/35/1189649235.db2.gz HWFWONKZMARMBR-CHWSQXEVSA-N -1 3 306.381 3.157 20 10 DGCDHM O=C(NC1(Cc2cccc(Cl)c2)CC1)c1cccc(O)c1[O-] ZINC001624240199 1193988090 /nfs/dbraw/zinc/98/80/90/1193988090.db2.gz CMBNDBPCIXCHMU-UHFFFAOYSA-N -1 3 317.772 3.256 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc3c(s2)CCC3(C)C)c([O-])c1O ZINC001630387751 1194283451 /nfs/dbraw/zinc/28/34/51/1194283451.db2.gz ZIKZELDBMIWEDX-UHFFFAOYSA-N -1 3 318.398 3.339 20 10 DGCDHM COc1nccc2cc(NC(=O)c3ccc(C)c(O)c3[O-])ccc21 ZINC001637072529 1194648330 /nfs/dbraw/zinc/64/83/30/1194648330.db2.gz VTVVESQCRBFHGL-UHFFFAOYSA-N -1 3 324.336 3.215 20 10 DGCDHM Cc1cc2ccccc2nc1C(=O)NCc1c([O-])cccc1F ZINC001638866750 1194741804 /nfs/dbraw/zinc/74/18/04/1194741804.db2.gz LVIFTQMFJIDCNM-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC001641881764 1194877321 /nfs/dbraw/zinc/87/73/21/1194877321.db2.gz VPDQWGBOMCZJET-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(F)c(Cl)c1F ZINC001646034543 1195211283 /nfs/dbraw/zinc/21/12/83/1195211283.db2.gz LUWVZYLFZNOKMG-UHFFFAOYSA-N -1 3 315.678 3.393 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(Br)cc1 ZINC001646028341 1195211667 /nfs/dbraw/zinc/21/16/67/1195211667.db2.gz GDCZEURMYLEFPV-UHFFFAOYSA-N -1 3 324.149 3.224 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3ccon3)c2)c([O-])c1O ZINC001652525106 1195611498 /nfs/dbraw/zinc/61/14/98/1195611498.db2.gz UAAVGZXGHAUOQY-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM CCn1cc(CN(Cc2cc(F)c(F)cc2[O-])C(C)C)cn1 ZINC001652761772 1195649754 /nfs/dbraw/zinc/64/97/54/1195649754.db2.gz KKPPCHQBROGCFV-UHFFFAOYSA-N -1 3 309.360 3.297 20 10 DGCDHM O=c1[nH]ccc2cc(NCc3c([O-])cccc3Cl)ccc21 ZINC001656600636 1196053286 /nfs/dbraw/zinc/05/32/86/1196053286.db2.gz GLKSFICZSQUNED-UHFFFAOYSA-N -1 3 300.745 3.499 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCN(c2c(F)cccc2F)CC1 ZINC001658422398 1196253705 /nfs/dbraw/zinc/25/37/05/1196253705.db2.gz BAPFSGGIMBUUAT-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])c2ccccc2NC1=O ZINC001659776749 1196414345 /nfs/dbraw/zinc/41/43/45/1196414345.db2.gz CPJHBBSHSSJRSN-LLVKDONJSA-N -1 3 300.333 3.126 20 10 DGCDHM [O-]c1c(Cl)cccc1CN[C@H](CO)c1cc(F)ccc1F ZINC001660897364 1196539992 /nfs/dbraw/zinc/53/99/92/1196539992.db2.gz AYODRQYDKQCPNI-CQSZACIVSA-N -1 3 313.731 3.147 20 10 DGCDHM O=c1[nH]ccc2oc(CNCc3cccc(Cl)c3[O-])cc21 ZINC001663441611 1196868475 /nfs/dbraw/zinc/86/84/75/1196868475.db2.gz ALCAMPOAIRFJJE-UHFFFAOYSA-N -1 3 304.733 3.182 20 10 DGCDHM COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)cc1[O-] ZINC001663915922 1196957581 /nfs/dbraw/zinc/95/75/81/1196957581.db2.gz GFSRXSSEUUMWMI-MRXNPFEDSA-N -1 3 319.788 3.392 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H](c1ccccc1)C(F)F ZINC001677779276 1198587879 /nfs/dbraw/zinc/58/78/79/1198587879.db2.gz RZUSQVRQKLQFGD-CQSZACIVSA-N -1 3 324.302 3.337 20 10 DGCDHM C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1cc(C(=O)[O-])ccc1[O-] ZINC001592902828 979829348 /nfs/dbraw/zinc/82/93/48/979829348.db2.gz ORKYNMDQICQBDR-WDEREUQCSA-N -1 3 305.399 3.434 20 10 DGCDHM CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)[O-])[nH]2)cc1 ZINC001596290027 983711114 /nfs/dbraw/zinc/71/11/14/983711114.db2.gz WUWSPVPEWINJKT-UHFFFAOYSA-N -1 3 315.417 3.191 20 10 DGCDHM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])c(F)c2)cc1F ZINC001598320659 991318641 /nfs/dbraw/zinc/31/86/41/991318641.db2.gz LDIPUJVVTZUICT-UHFFFAOYSA-N -1 3 320.339 3.019 20 10 DGCDHM C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593230045 994357272 /nfs/dbraw/zinc/35/72/72/994357272.db2.gz BFEUYJSZAGBQHV-GHJWDPDVSA-N -1 3 321.417 3.335 20 10 DGCDHM C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234250 994397793 /nfs/dbraw/zinc/39/77/93/994397793.db2.gz WSECLDSJYSEOBM-JSGCOSHPSA-N -1 3 319.401 3.233 20 10 DGCDHM C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234249 994398755 /nfs/dbraw/zinc/39/87/55/994398755.db2.gz WSECLDSJYSEOBM-GXTWGEPZSA-N -1 3 319.401 3.233 20 10 DGCDHM C[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234434 994402239 /nfs/dbraw/zinc/40/22/39/994402239.db2.gz ZZOUCERNYWKKEK-MGPLVRAMSA-N -1 3 312.369 3.011 20 10 DGCDHM C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593264426 994566128 /nfs/dbraw/zinc/56/61/28/994566128.db2.gz KIHFAABAYPMXHY-JSGCOSHPSA-N -1 3 307.390 3.090 20 10 DGCDHM C[C@@H]([NH2+]CCN1[C@H](C)CCC[C@@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266441 994580126 /nfs/dbraw/zinc/58/01/26/994580126.db2.gz DPLGSKOCQOGONO-HZSPNIEDSA-N -1 3 320.433 3.004 20 10 DGCDHM C[C@H](NCc1ccc(F)cc1F)c1cc(C(=O)[O-])ccc1O ZINC001593299298 994721784 /nfs/dbraw/zinc/72/17/84/994721784.db2.gz RBWOSPULSOGHFX-VIFPVBQESA-N -1 3 307.296 3.219 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCOC[C@@H]1c1cccnc1 ZINC001140342186 1082145337 /nfs/dbraw/zinc/14/53/37/1082145337.db2.gz WILOBLFLWHPDCB-OAHLLOKOSA-N -1 3 304.777 3.014 20 10 DGCDHM CC[C@@H]1CN(CC)CCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001170272611 1082332345 /nfs/dbraw/zinc/33/23/45/1082332345.db2.gz JYISGVYZFIOXEY-OAHLLOKOSA-N -1 3 324.852 3.164 20 10 DGCDHM CN1C(=O)COc2cc(NCc3ccc(Cl)cc3[O-])ccc21 ZINC001181223621 1083436284 /nfs/dbraw/zinc/43/62/84/1083436284.db2.gz QUPVIHQXWQMZKB-UHFFFAOYSA-N -1 3 318.760 3.013 20 10 DGCDHM CSC[C@H](C)C(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001183216288 1083899703 /nfs/dbraw/zinc/89/97/03/1083899703.db2.gz FHZQPHCDXLGHRR-VIFPVBQESA-N -1 3 324.833 3.209 20 10 DGCDHM COCCCCC(=O)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001185626935 1084491316 /nfs/dbraw/zinc/49/13/16/1084491316.db2.gz BKBRSHOQWIGPDK-UHFFFAOYSA-N -1 3 322.792 3.027 20 10 DGCDHM Cc1ccccc1N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142509187 1087274911 /nfs/dbraw/zinc/27/49/11/1087274911.db2.gz ZTUSCYUETRIDQV-UHFFFAOYSA-N -1 3 318.367 3.301 20 10 DGCDHM Cc1cc(C(=O)NCc2c([O-])cccc2F)nc2ccccc12 ZINC001156169968 1089417103 /nfs/dbraw/zinc/41/71/03/1089417103.db2.gz AEGOJJNQWAFXSL-UHFFFAOYSA-N -1 3 310.328 3.318 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@@](C)(F)[C@@H](F)C2)c(Cl)c1 ZINC001236800086 1089924659 /nfs/dbraw/zinc/92/46/59/1089924659.db2.gz WROAASVGRUIXHC-UONOGXRCSA-N -1 3 305.752 3.326 20 10 DGCDHM COc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157723989 1090089150 /nfs/dbraw/zinc/08/91/50/1090089150.db2.gz IDSHJNHSPOPMIG-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@H]1c1cccnc1 ZINC001203664401 1090776348 /nfs/dbraw/zinc/77/63/48/1090776348.db2.gz CXSLPBSDBXBOFF-HNNXBMFYSA-N -1 3 304.777 3.014 20 10 DGCDHM Cc1nsc(C)c1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001128603790 1091072016 /nfs/dbraw/zinc/07/20/16/1091072016.db2.gz NHWSNPSYPFJQER-UHFFFAOYSA-N -1 3 308.750 3.202 20 10 DGCDHM COc1cc(CN(C)Cc2c([O-])cccc2F)cc(OC)c1 ZINC001137837346 1091205753 /nfs/dbraw/zinc/20/57/53/1091205753.db2.gz BZEFDTURXFEMEO-UHFFFAOYSA-N -1 3 305.349 3.181 20 10 DGCDHM Cc1cccc(O[C@H]2CCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139689605 1091642983 /nfs/dbraw/zinc/64/29/83/1091642983.db2.gz IFOPSXSERRORBU-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM CCOC(=O)CN(Cc1ccsc1)Cc1cc(F)ccc1[O-] ZINC001140058749 1091752209 /nfs/dbraw/zinc/75/22/09/1091752209.db2.gz KQHQKOICSUYIDV-UHFFFAOYSA-N -1 3 323.389 3.158 20 10 DGCDHM Cc1cccnc1N1CCN(Cc2ccc(Cl)cc2[O-])CC1 ZINC001140461423 1091874087 /nfs/dbraw/zinc/87/40/87/1091874087.db2.gz LWJAZOMGNWFRLE-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM CN(CC(=O)OCc1ccccc1)Cc1ccc(Cl)cc1[O-] ZINC001140464400 1091875703 /nfs/dbraw/zinc/87/57/03/1091875703.db2.gz OEZDJNWMZDPQKG-UHFFFAOYSA-N -1 3 319.788 3.221 20 10 DGCDHM Cc1ccnc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)c1 ZINC001140466642 1091878059 /nfs/dbraw/zinc/87/80/59/1091878059.db2.gz JAXUSMRSTZUUMZ-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM Cc1[nH]c(CN(C)Cc2ccc(N(C)C)cc2)c(C)c1C(=O)[O-] ZINC001140496901 1091891034 /nfs/dbraw/zinc/89/10/34/1091891034.db2.gz WMGWIOXBORZTSN-UHFFFAOYSA-N -1 3 315.417 3.028 20 10 DGCDHM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC001298514750 1092067352 /nfs/dbraw/zinc/06/73/52/1092067352.db2.gz ZIURPFJMXNWWDH-LSDHHAIUSA-N -1 3 311.381 3.412 20 10 DGCDHM Cc1cc(-c2noc(-c3cccc(O)c3[O-])n2)c(F)cc1F ZINC001215145771 1093927181 /nfs/dbraw/zinc/92/71/81/1093927181.db2.gz IEMJSWRGIXMJGT-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001215145819 1093927259 /nfs/dbraw/zinc/92/72/59/1093927259.db2.gz LCIPOPXOLHXVBX-UHFFFAOYSA-N -1 3 323.230 3.229 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001215325506 1093960315 /nfs/dbraw/zinc/96/03/15/1093960315.db2.gz XBEMIVPBBFEIGX-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(Cl)c2F)no1 ZINC001215325356 1093960578 /nfs/dbraw/zinc/96/05/78/1093960578.db2.gz OFVWSFVDKLTBIN-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc(Cl)cc3F)no2)cc1O ZINC001215327912 1093961428 /nfs/dbraw/zinc/96/14/28/1093961428.db2.gz ZTQAKYIZAQNKMH-UHFFFAOYSA-N -1 3 322.679 3.313 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc4occc4c3)no2)cc1O ZINC001215327557 1093961600 /nfs/dbraw/zinc/96/16/00/1093961600.db2.gz IBTDWYRGQCBOLT-UHFFFAOYSA-N -1 3 310.265 3.267 20 10 DGCDHM Cc1cc(Cl)ccc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327504 1093962002 /nfs/dbraw/zinc/96/20/02/1093962002.db2.gz DSJMXDJVPPKTQA-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM CCCc1cnc(NC(=O)NCc2c([O-])cccc2F)s1 ZINC001216230174 1094152868 /nfs/dbraw/zinc/15/28/68/1094152868.db2.gz VHJULBWFAFNJDI-UHFFFAOYSA-N -1 3 309.366 3.262 20 10 DGCDHM COc1cccc(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)c1 ZINC001216952085 1094283780 /nfs/dbraw/zinc/28/37/80/1094283780.db2.gz TUGFUAWPQXJZLK-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001144306907 1095600797 /nfs/dbraw/zinc/60/07/97/1095600797.db2.gz WGTSKSCFXXKPOD-ARENWVFISA-N -1 3 318.161 3.226 20 10 DGCDHM [O-]c1cccc(F)c1CN1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001137837807 1095758958 /nfs/dbraw/zinc/75/89/58/1095758958.db2.gz VOPCNSAQFKYCOI-GFCCVEGCSA-N -1 3 323.314 3.463 20 10 DGCDHM [O-]c1c(F)cccc1CN1CCc2nn(-c3ccccc3)cc2C1 ZINC001138129722 1095897993 /nfs/dbraw/zinc/89/79/93/1095897993.db2.gz SQMGBUSFCVJHHA-UHFFFAOYSA-N -1 3 323.371 3.275 20 10 DGCDHM CC(C)C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccn1 ZINC001148224287 1096329783 /nfs/dbraw/zinc/32/97/83/1096329783.db2.gz GRGMWTBAHHUBKH-AWEZNQCLSA-N -1 3 300.358 3.010 20 10 DGCDHM CC(C)c1ccc([C@@H](C)NC(=O)c2cc(O)c([O-])c(O)c2)cc1 ZINC001148590190 1096408894 /nfs/dbraw/zinc/40/88/94/1096408894.db2.gz DQUQRGMJOHANBD-LLVKDONJSA-N -1 3 315.369 3.418 20 10 DGCDHM Oc1cc2ccccc2cc1CNc1ccccc1-c1nnn[n-]1 ZINC001171405168 1096676285 /nfs/dbraw/zinc/67/62/85/1096676285.db2.gz QRKKSQCHRKPURO-UHFFFAOYSA-N -1 3 317.352 3.338 20 10 DGCDHM Oc1cc2ccccc2cc1CNc1ccccc1-c1nn[n-]n1 ZINC001171405168 1096676287 /nfs/dbraw/zinc/67/62/87/1096676287.db2.gz QRKKSQCHRKPURO-UHFFFAOYSA-N -1 3 317.352 3.338 20 10 DGCDHM CC(C)n1cc(NCc2cc3ccccc3cc2[O-])ncc1=O ZINC001171407054 1096677522 /nfs/dbraw/zinc/67/75/22/1096677522.db2.gz JYNSPARWFYFBIR-UHFFFAOYSA-N -1 3 309.369 3.295 20 10 DGCDHM O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC001231453003 1097753362 /nfs/dbraw/zinc/75/33/62/1097753362.db2.gz ZSIKDYOEUKLGHI-CYBMUJFWSA-N -1 3 303.383 3.489 20 10 DGCDHM O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)c([O-])c1 ZINC001231453003 1097753365 /nfs/dbraw/zinc/75/33/65/1097753365.db2.gz ZSIKDYOEUKLGHI-CYBMUJFWSA-N -1 3 303.383 3.489 20 10 DGCDHM O=C([O-])c1ccc(O)c(CN2CCSc3ccccc3C2)c1 ZINC001231566650 1097780293 /nfs/dbraw/zinc/78/02/93/1097780293.db2.gz PMJOQEYINHLUGB-UHFFFAOYSA-N -1 3 315.394 3.198 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001231565356 1097780749 /nfs/dbraw/zinc/78/07/49/1097780749.db2.gz UGDFJBQSEKYQBR-CYBMUJFWSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001231565356 1097780755 /nfs/dbraw/zinc/78/07/55/1097780755.db2.gz UGDFJBQSEKYQBR-CYBMUJFWSA-N -1 3 315.344 3.219 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(c3nccs3)CC2)cc1Cl ZINC001231869253 1097869611 /nfs/dbraw/zinc/86/96/11/1097869611.db2.gz NQSCXRFTEUXLSA-UHFFFAOYSA-N -1 3 323.849 3.133 20 10 DGCDHM COc1cc([O-])c(CN2CCC(F)(F)[C@H](F)C2)cc1Cl ZINC001232264032 1097987060 /nfs/dbraw/zinc/98/70/60/1097987060.db2.gz CQCQPFTYSAAMQW-GFCCVEGCSA-N -1 3 309.715 3.233 20 10 DGCDHM [O-]c1c(CN2CC[C@](CF)(C(F)(F)F)C2)ccc(F)c1F ZINC001233074822 1098220002 /nfs/dbraw/zinc/22/00/02/1098220002.db2.gz XRWHFGPIDLHDPV-GFCCVEGCSA-N -1 3 313.241 3.394 20 10 DGCDHM Cc1cccc(O[C@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079949 1098220749 /nfs/dbraw/zinc/22/07/49/1098220749.db2.gz OFGTUWMTBWGAQD-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1ccc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC001233079944 1098221296 /nfs/dbraw/zinc/22/12/96/1098221296.db2.gz OCRHUSDQURLWBA-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1cnccc1O[C@@H]1CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233080258 1098221347 /nfs/dbraw/zinc/22/13/47/1098221347.db2.gz UHOJKUGKIIFSRF-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM CCCCCCN1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334565 1098291605 /nfs/dbraw/zinc/29/16/05/1098291605.db2.gz LXTHOMITXIKVSI-UHFFFAOYSA-N -1 3 312.404 3.368 20 10 DGCDHM COc1cc(CN(C)Cc2c([O-])ccc(F)c2F)cc(OC)c1 ZINC001233334412 1098292865 /nfs/dbraw/zinc/29/28/65/1098292865.db2.gz FXCCSCYMZDXGOC-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H]1COCc1ccccc1 ZINC001233334323 1098293053 /nfs/dbraw/zinc/29/30/53/1098293053.db2.gz BTHAAMOBICKTQC-AWEZNQCLSA-N -1 3 319.351 3.462 20 10 DGCDHM Cc1cnccc1O[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336301 1098294303 /nfs/dbraw/zinc/29/43/03/1098294303.db2.gz HBUZQLZJWUOOFN-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1cccnc1O[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336240 1098294581 /nfs/dbraw/zinc/29/45/81/1098294581.db2.gz DWMAWTHLYDMFDO-LBPRGKRZSA-N -1 3 320.339 3.027 20 10 DGCDHM CC(=O)C1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233418285 1098325532 /nfs/dbraw/zinc/32/55/32/1098325532.db2.gz AGJDWKUCBRNPSX-UHFFFAOYSA-N -1 3 301.308 3.212 20 10 DGCDHM Cc1ccc(CC(=O)NCc2c([O-])cccc2F)c(Cl)c1 ZINC001178413314 1098827437 /nfs/dbraw/zinc/82/74/37/1098827437.db2.gz QJTFBDNPQKXNRY-UHFFFAOYSA-N -1 3 307.752 3.352 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC001178413254 1098828138 /nfs/dbraw/zinc/82/81/38/1098828138.db2.gz PLOFAMGCCQVRKR-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1snc(Cl)c1Cl ZINC001178413280 1098828169 /nfs/dbraw/zinc/82/81/69/1098828169.db2.gz PSSIJPRZOUOYEN-UHFFFAOYSA-N -1 3 321.160 3.225 20 10 DGCDHM COc1c([O-])c(CN2c3ccccc3C[C@H]2C)ccc1[N+](=O)[O-] ZINC001180480282 1099419888 /nfs/dbraw/zinc/41/98/88/1099419888.db2.gz ZNQZASQZWDSGGH-LLVKDONJSA-N -1 3 314.341 3.260 20 10 DGCDHM C[S@](=O)Cc1ccccc1NCc1cc(F)c(F)cc1[O-] ZINC001180593549 1099468379 /nfs/dbraw/zinc/46/83/79/1099468379.db2.gz OBVKOCKPGGNIHV-NRFANRHFSA-N -1 3 311.353 3.161 20 10 DGCDHM CN(CC(=O)OCc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC001203665408 1099560544 /nfs/dbraw/zinc/56/05/44/1099560544.db2.gz IVVBNDHANGNSLQ-UHFFFAOYSA-N -1 3 319.788 3.221 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCN(C2CCC2)CC1 ZINC001236793717 1099788824 /nfs/dbraw/zinc/78/88/24/1099788824.db2.gz OBSYSPSDRNUIID-UHFFFAOYSA-N -1 3 315.244 3.369 20 10 DGCDHM CCCN1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236795960 1099791956 /nfs/dbraw/zinc/79/19/56/1099791956.db2.gz LKQIVEHILMGMNV-UHFFFAOYSA-N -1 3 303.233 3.227 20 10 DGCDHM COc1cc([O-])c(CN2CC(C)(C)C2)c(Br)c1 ZINC001237064122 1099953426 /nfs/dbraw/zinc/95/34/26/1099953426.db2.gz WWGAXOLMJZFKAK-UHFFFAOYSA-N -1 3 300.196 3.005 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H]2CCO[C@H]2C1 ZINC001237079535 1099959351 /nfs/dbraw/zinc/95/93/51/1099959351.db2.gz LRUDIGVDJYSFAL-RNCFNFMXSA-N -1 3 302.201 3.310 20 10 DGCDHM Cc1cc([O-])c(CN2CCC(=O)C[C@H]2C)cc1Br ZINC001237678079 1100212835 /nfs/dbraw/zinc/21/28/35/1100212835.db2.gz RVDBVEWACUVZQK-SNVBAGLBSA-N -1 3 312.207 3.017 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CC[C@@H](O)[C@H](F)C2)cc1Cl ZINC001248881190 1105185962 /nfs/dbraw/zinc/18/59/62/1105185962.db2.gz SCUUEVDBKVKROZ-ZIAGYGMSSA-N -1 3 315.816 3.248 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(Cc2cccc(Cl)c2)o1 ZINC001254415049 1106067432 /nfs/dbraw/zinc/06/74/32/1106067432.db2.gz JOCRVWLDMLXCQM-UHFFFAOYSA-N -1 3 318.716 3.098 20 10 DGCDHM Cc1ccc([C@H]2C[C@@H]2c2nnc(-c3ccc(O)c(O)c3[O-])o2)cc1 ZINC001257209711 1106551400 /nfs/dbraw/zinc/55/14/00/1106551400.db2.gz NZWAIUSAKOQFNT-OLZOCXBDSA-N -1 3 324.336 3.433 20 10 DGCDHM O=C([N-]c1c2nonc2ccc1Cl)c1cc(F)cc(F)c1 ZINC001321388288 1107339038 /nfs/dbraw/zinc/33/90/38/1107339038.db2.gz ILUFFRNSBMNRRB-UHFFFAOYSA-N -1 3 309.659 3.407 20 10 DGCDHM C[C@H](Cc1ccccc1F)C(=O)NCc1c([O-])cccc1F ZINC001303878728 1111156345 /nfs/dbraw/zinc/15/63/45/1111156345.db2.gz RPAXBYRUXHEEQR-LLVKDONJSA-N -1 3 305.324 3.165 20 10 DGCDHM CN(CC(=O)N(C)C1CCCCC1)Cc1ccc(Cl)cc1[O-] ZINC001308862373 1111485279 /nfs/dbraw/zinc/48/52/79/1111485279.db2.gz VZVJURUGFBBSGW-UHFFFAOYSA-N -1 3 324.852 3.269 20 10 DGCDHM Cc1ccc(C(=O)N([C@H](C)c2ccco2)C2CC2)c([O-])c1O ZINC000179449425 432059184 /nfs/dbraw/zinc/05/91/84/432059184.db2.gz REZMWZLMCCKGPJ-LLVKDONJSA-N -1 3 301.342 3.365 20 10 DGCDHM Cc1ccc(C(=O)Nc2cccc(-c3cnco3)c2)c([O-])c1O ZINC000177673932 533611761 /nfs/dbraw/zinc/61/17/61/533611761.db2.gz DBWPVJSHBOMKHY-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM Cc1cccc([C@H]2CCN(C(=O)c3ccc(C)c(O)c3[O-])C2)c1 ZINC000273118826 130090543 /nfs/dbraw/zinc/09/05/43/130090543.db2.gz CEVWJYNFQJCJAW-HNNXBMFYSA-N -1 3 311.381 3.344 20 10 DGCDHM C[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000273424976 130120110 /nfs/dbraw/zinc/12/01/10/130120110.db2.gz TVDWYWMRXKNXBM-GFCCVEGCSA-N -1 3 316.376 3.084 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(SC)cn2)c1 ZINC000273446597 130121524 /nfs/dbraw/zinc/12/15/24/130121524.db2.gz FEHFYCQMFBDXOM-SNVBAGLBSA-N -1 3 318.398 3.469 20 10 DGCDHM CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccncc1 ZINC000273588301 130140056 /nfs/dbraw/zinc/14/00/56/130140056.db2.gz OKANEGXOUXJABF-XHDPSFHLSA-N -1 3 301.346 3.497 20 10 DGCDHM CC[C@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559363 131286789 /nfs/dbraw/zinc/28/67/89/131286789.db2.gz GEJPOJXNICYJRW-GWCFXTLKSA-N -1 3 312.841 3.390 20 10 DGCDHM CC[C@@H](N[C@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559380 131287268 /nfs/dbraw/zinc/28/72/68/131287268.db2.gz GEJPOJXNICYJRW-ZWNOBZJWSA-N -1 3 312.841 3.390 20 10 DGCDHM CC[C@H](NCC(=O)N(C)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000287685911 288035925 /nfs/dbraw/zinc/03/59/25/288035925.db2.gz MXAAQIWFNMHYIG-LBPRGKRZSA-N -1 3 319.232 3.218 20 10 DGCDHM C[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C[C@@H]1n1ccnc1 ZINC000191442923 432265564 /nfs/dbraw/zinc/26/55/64/432265564.db2.gz SJPKRNAHUGEQES-FZMZJTMJSA-N -1 3 323.799 3.464 20 10 DGCDHM Cc1noc([C@H]2CCCN(Cc3c([O-])cccc3Cl)C2)n1 ZINC000271105414 432330807 /nfs/dbraw/zinc/33/08/07/432330807.db2.gz VLWOKDVKRYPVFR-NSHDSACASA-N -1 3 307.781 3.117 20 10 DGCDHM C[C@H](N[C@H]1CCCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000192650619 432396605 /nfs/dbraw/zinc/39/66/05/432396605.db2.gz APWVOUJQMONQJU-UFBFGSQYSA-N -1 3 317.216 3.018 20 10 DGCDHM C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193079826 432446897 /nfs/dbraw/zinc/44/68/97/432446897.db2.gz IFJKWTHOCYDOEK-AAEUAGOBSA-N -1 3 315.344 3.255 20 10 DGCDHM CC(C)Oc1cccc(CN(C)C(=O)c2cccc(O)c2[O-])c1 ZINC000193147955 432454868 /nfs/dbraw/zinc/45/48/68/432454868.db2.gz SQCGHHFBQMALJQ-UHFFFAOYSA-N -1 3 315.369 3.157 20 10 DGCDHM COc1cc2c(cc1OC)CN(Cc1cccc(F)c1[O-])CC2 ZINC000272300284 432478244 /nfs/dbraw/zinc/47/82/44/432478244.db2.gz PNHMYADNWFVQMV-UHFFFAOYSA-N -1 3 317.360 3.107 20 10 DGCDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000185866159 432539226 /nfs/dbraw/zinc/53/92/26/432539226.db2.gz AHXSJIHKBYBVOR-JTQLQIEISA-N -1 3 323.824 3.201 20 10 DGCDHM CCCOc1ccc(CN[C@@H](COC)c2ccco2)c([O-])c1 ZINC000177576951 432637760 /nfs/dbraw/zinc/63/77/60/432637760.db2.gz AHQVBQZAONWBBE-HNNXBMFYSA-N -1 3 305.374 3.251 20 10 DGCDHM Cc1ncsc1/C=C/C(=O)N1CCCc2cccc([O-])c21 ZINC000189063355 432762400 /nfs/dbraw/zinc/76/24/00/432762400.db2.gz HZNGIUKQEJULGI-BQYQJAHWSA-N -1 3 300.383 3.150 20 10 DGCDHM Cn1cc([C@@H]2CSCCN2Cc2c([O-])cccc2Cl)cn1 ZINC000276734373 432824428 /nfs/dbraw/zinc/82/44/28/432824428.db2.gz CDZGKKMBISQJFT-AWEZNQCLSA-N -1 3 323.849 3.069 20 10 DGCDHM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000276863663 432827124 /nfs/dbraw/zinc/82/71/24/432827124.db2.gz KLHAOHUGMAJLDG-UHFFFAOYSA-N -1 3 305.399 3.318 20 10 DGCDHM Cc1cccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])c1C ZINC000277355090 432841776 /nfs/dbraw/zinc/84/17/76/432841776.db2.gz PNEYQRWIPVSDTF-SFHVURJKSA-N -1 3 311.381 3.154 20 10 DGCDHM CC[C@H](C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277470774 432853882 /nfs/dbraw/zinc/85/38/82/432853882.db2.gz UVGTVHDGBXMNED-QWRGUYRKSA-N -1 3 324.808 3.244 20 10 DGCDHM C[C@@H](NCc1ncc(C(F)(F)F)cn1)c1cc(F)ccc1[O-] ZINC000296333544 432896933 /nfs/dbraw/zinc/89/69/33/432896933.db2.gz HLBMQUATZCFILV-MRVPVSSYSA-N -1 3 315.270 3.191 20 10 DGCDHM COCCN(Cc1ccccn1)Cc1c([O-])cccc1Cl ZINC000289964890 432980597 /nfs/dbraw/zinc/98/05/97/432980597.db2.gz YTXIUQNQIOOTIH-UHFFFAOYSA-N -1 3 306.793 3.089 20 10 DGCDHM Cn1nc([C@@H]2CCCOC2)cc1NCc1c([O-])cccc1Cl ZINC000280120675 433002995 /nfs/dbraw/zinc/00/29/95/433002995.db2.gz PMOQVXGSMGSRJE-LLVKDONJSA-N -1 3 321.808 3.285 20 10 DGCDHM CC(C)OCc1cc([N-]S(=O)(=O)c2ccccc2)ccc1O ZINC000290564175 433098055 /nfs/dbraw/zinc/09/80/55/433098055.db2.gz SGNGHKHTDZVQMN-UHFFFAOYSA-N -1 3 321.398 3.118 20 10 DGCDHM COc1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1[O-] ZINC000373472896 433153827 /nfs/dbraw/zinc/15/38/27/433153827.db2.gz GOLKYWPVOXPCJH-BMIGLBTASA-N -1 3 311.809 3.054 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC(OC2CCCCC2)CC1 ZINC000280622744 433112039 /nfs/dbraw/zinc/11/20/39/433112039.db2.gz LALLFCIMOAXQBM-UHFFFAOYSA-N -1 3 319.401 3.052 20 10 DGCDHM Cc1cc(Cl)cc(CNCc2ncccc2N(C)C)c1[O-] ZINC000290994565 433216750 /nfs/dbraw/zinc/21/67/50/433216750.db2.gz AFOMXFZGBDQPRR-UHFFFAOYSA-N -1 3 305.809 3.105 20 10 DGCDHM Cc1nnsc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000291657759 433302348 /nfs/dbraw/zinc/30/23/48/433302348.db2.gz DRPDPMLFGBPBOY-UHFFFAOYSA-N -1 3 304.202 3.149 20 10 DGCDHM CCCCN(Cc1nnc2n1CCCC2)Cc1ccccc1[O-] ZINC000282398237 433593629 /nfs/dbraw/zinc/59/36/29/433593629.db2.gz HMFJOTONAUCHJO-UHFFFAOYSA-N -1 3 314.433 3.122 20 10 DGCDHM CSC[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000292495645 433568192 /nfs/dbraw/zinc/56/81/92/433568192.db2.gz UBCFDDAACILUNO-LBPRGKRZSA-N -1 3 311.422 3.309 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(F)F ZINC000293516746 433765662 /nfs/dbraw/zinc/76/56/62/433765662.db2.gz XSBYDVQPJFOEBL-UHFFFAOYSA-N -1 3 322.149 3.158 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc([C@H]3CCOC3)cc2)c([O-])c1O ZINC000294025618 433969392 /nfs/dbraw/zinc/96/93/92/433969392.db2.gz FKVALASUQGQJBV-ZDUSSCGKSA-N -1 3 313.353 3.162 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1n1ccnc1 ZINC000294434610 434112133 /nfs/dbraw/zinc/11/21/33/434112133.db2.gz XNEGPKNLIXEQKY-NHYWBVRUSA-N -1 3 323.799 3.464 20 10 DGCDHM CC[C@]1(CO)CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294847122 434148900 /nfs/dbraw/zinc/14/89/00/434148900.db2.gz ZOJIDPHQUWAQSO-HNNXBMFYSA-N -1 3 301.789 3.169 20 10 DGCDHM C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])c2ccccc2O1 ZINC000294979693 434160237 /nfs/dbraw/zinc/16/02/37/434160237.db2.gz GKIAYOPQCXIRJA-IAQYHMDHSA-N -1 3 314.341 3.302 20 10 DGCDHM O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc(O)c1[O-] ZINC000363922873 434180268 /nfs/dbraw/zinc/18/02/68/434180268.db2.gz GHMINHHCWJDGHC-QGZVFWFLSA-N -1 3 320.348 3.012 20 10 DGCDHM Cc1nc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)[nH]c1C ZINC000366076414 434326380 /nfs/dbraw/zinc/32/63/80/434326380.db2.gz ZAUOKZYMLBBIIE-UHFFFAOYSA-N -1 3 323.352 3.357 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](Cc2ccccc2)C1 ZINC000366150888 434345577 /nfs/dbraw/zinc/34/55/77/434345577.db2.gz GCLFOKKAMYHLER-HNNXBMFYSA-N -1 3 311.381 3.193 20 10 DGCDHM CC[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000287559369 434395870 /nfs/dbraw/zinc/39/58/70/434395870.db2.gz GEJPOJXNICYJRW-GXFFZTMASA-N -1 3 312.841 3.390 20 10 DGCDHM O=C([C@@H]1CCCCN1Cc1cccc(Cl)c1[O-])N1CCCC1 ZINC000368460626 434573879 /nfs/dbraw/zinc/57/38/79/434573879.db2.gz APLGFLAMFHMQBK-HNNXBMFYSA-N -1 3 322.836 3.023 20 10 DGCDHM O=C([C@@H]1CCCCN1Cc1cc(Cl)ccc1[O-])N1CCCC1 ZINC000372417317 434825134 /nfs/dbraw/zinc/82/51/34/434825134.db2.gz VNTJOALEBNZNPH-HNNXBMFYSA-N -1 3 322.836 3.023 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCSC[C@@H]1c1ccccc1 ZINC000185665312 304549345 /nfs/dbraw/zinc/54/93/45/304549345.db2.gz STRYTUHOVFWNLO-CQSZACIVSA-N -1 3 315.394 3.028 20 10 DGCDHM CC(C)(C)c1ncc2c(n1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC000529640209 435038449 /nfs/dbraw/zinc/03/84/49/435038449.db2.gz HAYBNHOKHYSACV-UHFFFAOYSA-N -1 3 315.392 3.177 20 10 DGCDHM Cc1cc(CN[C@@H](C)c2ccc(Br)cc2[O-])on1 ZINC000185357536 301278001 /nfs/dbraw/zinc/27/80/01/301278001.db2.gz WGVJLAPODZRQKG-VIFPVBQESA-N -1 3 311.179 3.302 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2ccccn2)c1[O-] ZINC000181789500 518279544 /nfs/dbraw/zinc/27/95/44/518279544.db2.gz HCLOICKHWGZWEN-JTQLQIEISA-N -1 3 304.777 3.494 20 10 DGCDHM CC(C)(C)CNC(=O)C(C)(C)NCc1cccc(Cl)c1[O-] ZINC000182658207 518665134 /nfs/dbraw/zinc/66/51/34/518665134.db2.gz HKLRJTYEIMMRRX-UHFFFAOYSA-N -1 3 312.841 3.076 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000180059323 534454809 /nfs/dbraw/zinc/45/48/09/534454809.db2.gz PZVXIEYYVUKJBL-KRWDZBQOSA-N -1 3 323.314 3.383 20 10 DGCDHM COc1cc(N(C)Cc2cc(F)ccc2[O-])cc(OC)c1OC ZINC000180757559 522622153 /nfs/dbraw/zinc/62/21/53/522622153.db2.gz LAOQFZGXQXXBBZ-UHFFFAOYSA-N -1 3 321.348 3.194 20 10 DGCDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1c([O-])cccc1Cl ZINC000131734949 523277290 /nfs/dbraw/zinc/27/72/90/523277290.db2.gz IHYKQVSPEOGALJ-NRFANRHFSA-N -1 3 323.845 3.415 20 10 DGCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000189426915 523829810 /nfs/dbraw/zinc/82/98/10/523829810.db2.gz TTWKAQCQRVNBMX-UHFFFAOYSA-N -1 3 317.410 3.244 20 10 DGCDHM COCCOc1ccccc1CNCc1c([O-])cccc1Cl ZINC000264987466 524058320 /nfs/dbraw/zinc/05/83/20/524058320.db2.gz WHFJVFOTDMVTQS-UHFFFAOYSA-N -1 3 321.804 3.361 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cc(CSCCO)ccn1 ZINC000130161008 527560238 /nfs/dbraw/zinc/56/02/38/527560238.db2.gz XNYPTBKYZANQKZ-UHFFFAOYSA-N -1 3 324.833 3.278 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN[C@]1(CO)CCc2ccccc21 ZINC000365168245 527604463 /nfs/dbraw/zinc/60/44/63/527604463.db2.gz ISMNAEJUJYGBJS-KRWDZBQOSA-N -1 3 321.779 3.108 20 10 DGCDHM COc1cc(C)ccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273588433 536653444 /nfs/dbraw/zinc/65/34/44/536653444.db2.gz OMPZDZOYLFHYMB-GFCCVEGCSA-N -1 3 316.357 3.468 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000273417937 536896972 /nfs/dbraw/zinc/89/69/72/536896972.db2.gz RFQQTNWRSMRKAA-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc([O-])cs1 ZINC000731863828 574560458 /nfs/dbraw/zinc/56/04/58/574560458.db2.gz FLZVNQXVTQCVLX-UHFFFAOYSA-N -1 3 321.398 3.133 20 10 DGCDHM O=C(NCc1ccc(OC2CCCC2)nc1)c1cc([O-])cs1 ZINC000731872155 574560599 /nfs/dbraw/zinc/56/05/99/574560599.db2.gz XOKJPAIVFUKKRH-UHFFFAOYSA-N -1 3 318.398 3.100 20 10 DGCDHM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc([O-])cs1 ZINC000731865746 574560714 /nfs/dbraw/zinc/56/07/14/574560714.db2.gz GGIPUXABSFCJLR-UHFFFAOYSA-N -1 3 313.325 3.327 20 10 DGCDHM Cc1ccc(-c2cc(NC(=O)c3cc([O-])cs3)n[nH]2)s1 ZINC000731872321 574560737 /nfs/dbraw/zinc/56/07/37/574560737.db2.gz DPZNCDZIGCOOPH-UHFFFAOYSA-N -1 3 305.384 3.466 20 10 DGCDHM CSc1ccc(C(=O)COC(=O)c2cc([O-])cs2)cc1 ZINC000731912207 574561757 /nfs/dbraw/zinc/56/17/57/574561757.db2.gz QNVJSVPSBOMOFT-UHFFFAOYSA-N -1 3 308.380 3.215 20 10 DGCDHM O=C(NCCOc1ccc2ccccc2c1)c1cc([O-])cs1 ZINC000732259325 574569369 /nfs/dbraw/zinc/56/93/69/574569369.db2.gz PENOVLXCYYSWBA-UHFFFAOYSA-N -1 3 313.378 3.416 20 10 DGCDHM COCCN(Cc1ccc(C)cc1C)C(=O)c1cc([O-])cs1 ZINC000732268287 574569583 /nfs/dbraw/zinc/56/95/83/574569583.db2.gz GBIQMKJWQPXZTH-UHFFFAOYSA-N -1 3 319.426 3.359 20 10 DGCDHM O=C(NCc1ccnc(OC2CCCC2)c1)c1cc([O-])cs1 ZINC000732270036 574569699 /nfs/dbraw/zinc/56/96/99/574569699.db2.gz OABLUPKISSIWQX-UHFFFAOYSA-N -1 3 318.398 3.100 20 10 DGCDHM O=C(NCc1csc(Br)c1)c1cc([O-])cs1 ZINC000732271407 574569787 /nfs/dbraw/zinc/56/97/87/574569787.db2.gz WCLSDJFXGJPSBI-UHFFFAOYSA-N -1 3 318.217 3.208 20 10 DGCDHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc([O-])cs1 ZINC000732271522 574569962 /nfs/dbraw/zinc/56/99/62/574569962.db2.gz IQTKEMQLUSDXTR-UHFFFAOYSA-N -1 3 316.382 3.223 20 10 DGCDHM CC(=O)Nc1c(C)ccc(NC(=O)c2cc([O-])cs2)c1C ZINC000732275348 574570057 /nfs/dbraw/zinc/57/00/57/574570057.db2.gz WOCGHBGJVWIFLV-UHFFFAOYSA-N -1 3 304.371 3.281 20 10 DGCDHM Cc1cc(NC(=O)c2cc([O-])cs2)n(Cc2ccccc2)n1 ZINC000732276774 574570176 /nfs/dbraw/zinc/57/01/76/574570176.db2.gz QJQFWEHSKYAOOH-UHFFFAOYSA-N -1 3 313.382 3.259 20 10 DGCDHM CC(C)c1ccccc1OCCNC(=O)c1cc([O-])cs1 ZINC000732302490 574570298 /nfs/dbraw/zinc/57/02/98/574570298.db2.gz HXMZIVCFLJAPDX-UHFFFAOYSA-N -1 3 305.399 3.386 20 10 DGCDHM O=C(NCc1sccc1Br)c1cc([O-])cs1 ZINC000732279212 574570455 /nfs/dbraw/zinc/57/04/55/574570455.db2.gz KTBYRVWIKHBGAW-UHFFFAOYSA-N -1 3 318.217 3.208 20 10 DGCDHM O=C(O[C@H]1CCCc2ccccc2C1=O)c1cc([O-])cs1 ZINC000732353053 574572184 /nfs/dbraw/zinc/57/21/84/574572184.db2.gz KWUHMEYUZYGEKA-ZDUSSCGKSA-N -1 3 302.351 3.198 20 10 DGCDHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)c(F)c1 ZINC000732353500 574572192 /nfs/dbraw/zinc/57/21/92/574572192.db2.gz RLKBYVJLRFFNLI-VIFPVBQESA-N -1 3 323.345 3.085 20 10 DGCDHM CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cs1 ZINC000732352729 574572264 /nfs/dbraw/zinc/57/22/64/574572264.db2.gz DGWAZJYNRJNGNO-SNVBAGLBSA-N -1 3 319.382 3.200 20 10 DGCDHM O=C(OCc1cc2ccccc2[nH]c1=O)c1cc([O-])cs1 ZINC000733496989 574625921 /nfs/dbraw/zinc/62/59/21/574625921.db2.gz OTPSQCLESKVMNA-UHFFFAOYSA-N -1 3 301.323 3.065 20 10 DGCDHM COC(=O)[C@H](c1cccc(Cl)c1)N(C)Cc1ccccc1[O-] ZINC000735494508 574704075 /nfs/dbraw/zinc/70/40/75/574704075.db2.gz ZCVLAMWPIBXJNB-INIZCTEOSA-N -1 3 319.788 3.392 20 10 DGCDHM Cn1cc(C(C)(C)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000742374392 574993282 /nfs/dbraw/zinc/99/32/82/574993282.db2.gz WJMVTKCWEICVJK-UHFFFAOYSA-N -1 3 314.216 3.457 20 10 DGCDHM CCCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(F)ccc1[O-] ZINC000742443755 575000486 /nfs/dbraw/zinc/00/04/86/575000486.db2.gz OHTORMXTZUYVML-INIZCTEOSA-N -1 3 320.408 3.465 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1cc([O-])cs1 ZINC000743474258 575053758 /nfs/dbraw/zinc/05/37/58/575053758.db2.gz JOHQRFOKCCSOCG-NSHDSACASA-N -1 3 301.289 3.487 20 10 DGCDHM CO[C@@H](CNC(=O)c1cc([O-])cs1)c1ccc(Cl)cc1 ZINC000743678561 575060496 /nfs/dbraw/zinc/06/04/96/575060496.db2.gz LZIISGLEGDDGSK-LBPRGKRZSA-N -1 3 311.790 3.225 20 10 DGCDHM C[C@H](CNC(=O)c1cc([O-])cs1)Oc1cccc(Cl)c1 ZINC000743718342 575062111 /nfs/dbraw/zinc/06/21/11/575062111.db2.gz MPFVMMCJRDYUDN-SECBINFHSA-N -1 3 311.790 3.304 20 10 DGCDHM CO[C@@H](CNC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC000743756713 575062866 /nfs/dbraw/zinc/06/28/66/575062866.db2.gz JYHRCWGDKKYJIO-LBPRGKRZSA-N -1 3 311.790 3.225 20 10 DGCDHM CC(C)CN1CC(=O)N[C@H]1c1cc(-c2ccccc2)ccc1[O-] ZINC000749698898 575673171 /nfs/dbraw/zinc/67/31/71/575673171.db2.gz BCXUKZHHSRQQLR-LJQANCHMSA-N -1 3 310.397 3.146 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCCN(C(C)C)CC2)c1[O-] ZINC000750043026 575700007 /nfs/dbraw/zinc/70/00/07/575700007.db2.gz CGGQENXYHMCHFN-UHFFFAOYSA-N -1 3 324.852 3.164 20 10 DGCDHM Cc1ccc(C(=O)NCC(C)(C)c2cccc(F)c2)c([O-])c1O ZINC000751538455 575789971 /nfs/dbraw/zinc/78/99/71/575789971.db2.gz OYCMCIOWLUIAQJ-UHFFFAOYSA-N -1 3 317.360 3.253 20 10 DGCDHM C[C@@H](NCc1ccccc1[O-])c1noc(Cc2ccccc2)n1 ZINC000752265579 575829949 /nfs/dbraw/zinc/82/99/49/575829949.db2.gz JZHZZKAEFSZEPQ-CYBMUJFWSA-N -1 3 309.369 3.217 20 10 DGCDHM CN(C)C(=O)c1cccc(CNCc2cc(Cl)ccc2[O-])c1 ZINC000725844216 575927662 /nfs/dbraw/zinc/92/76/62/575927662.db2.gz LDOZEHOJUKMFLG-UHFFFAOYSA-N -1 3 318.804 3.037 20 10 DGCDHM CCN(CC)c1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000393478454 608870739 /nfs/dbraw/zinc/87/07/39/608870739.db2.gz ISBKRBSYPQPMFO-UHFFFAOYSA-N -1 3 322.416 3.325 20 10 DGCDHM CCN(CC)c1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000393478454 608870742 /nfs/dbraw/zinc/87/07/42/608870742.db2.gz ISBKRBSYPQPMFO-UHFFFAOYSA-N -1 3 322.416 3.325 20 10 DGCDHM O=C(Nc1csc(-c2ccccc2)n1)c1cccc(O)c1[O-] ZINC000804823188 617677631 /nfs/dbraw/zinc/67/76/31/617677631.db2.gz QNJJVJANMLGHKE-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM C[C@@H]1[C@H](C)N(Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000775985869 618520192 /nfs/dbraw/zinc/52/01/92/618520192.db2.gz PJMCRFVZSWVEIK-ZJUUUORDSA-N -1 3 303.233 3.223 20 10 DGCDHM CC[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@H](C)[S@]1=O ZINC000840948284 618621004 /nfs/dbraw/zinc/62/10/04/618621004.db2.gz NKFWKVFMQUHATD-XXRNEEKGSA-N -1 3 315.866 3.085 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CCN(c2cccs2)CC1 ZINC000894058060 618701640 /nfs/dbraw/zinc/70/16/40/618701640.db2.gz QPOQYIYKNXKBBV-UHFFFAOYSA-N -1 3 310.369 3.054 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC(O)(C2CCC2)CC1 ZINC000897036072 619005224 /nfs/dbraw/zinc/00/52/24/619005224.db2.gz HVQCPOLNMMUSNB-UHFFFAOYSA-N -1 3 313.800 3.312 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C12CC(c3ccccc3)(C1)C2 ZINC000928707782 619059254 /nfs/dbraw/zinc/05/92/54/619059254.db2.gz IBTFJYDSCIQDOS-UHFFFAOYSA-N -1 3 311.356 3.269 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(C2CC2)cnc1Cl ZINC000928708557 619059569 /nfs/dbraw/zinc/05/95/69/619059569.db2.gz OYRQPSZMODYHSW-UHFFFAOYSA-N -1 3 320.751 3.387 20 10 DGCDHM CC(C)(CNC(=O)NCc1c([O-])cccc1F)C(C)(F)F ZINC000923915797 619247587 /nfs/dbraw/zinc/24/75/87/619247587.db2.gz ZMKCVQDFFXAGHC-UHFFFAOYSA-N -1 3 304.312 3.012 20 10 DGCDHM O=C(NCC[C@H]1CCCC1(F)F)NCc1c([O-])cccc1F ZINC000924005360 620571639 /nfs/dbraw/zinc/57/16/39/620571639.db2.gz BZBCKVLHRKTWRF-SNVBAGLBSA-N -1 3 316.323 3.156 20 10 DGCDHM CC[C@H](CC(F)(F)F)NC(=O)NCc1c([O-])cccc1F ZINC000921973636 620975927 /nfs/dbraw/zinc/97/59/27/620975927.db2.gz QLSGAPRNOKEJOJ-MRVPVSSYSA-N -1 3 308.275 3.062 20 10 DGCDHM COc1ccccc1[C@@H](CO)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756710190 621659568 /nfs/dbraw/zinc/65/95/68/621659568.db2.gz BUXUAQJUSYWULX-ZUZCIYMTSA-N -1 3 323.339 3.063 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCc3c(F)cccc3C2)c1[O-] ZINC000757148682 621690590 /nfs/dbraw/zinc/69/05/90/621690590.db2.gz DPYXDSLAVBTESX-UHFFFAOYSA-N -1 3 317.335 3.431 20 10 DGCDHM CC[C@@H](NCc1nn(C)cc1C(F)F)c1ccc(F)cc1[O-] ZINC000866567147 622140065 /nfs/dbraw/zinc/14/00/65/622140065.db2.gz JUAUYDSQPPRVTJ-GFCCVEGCSA-N -1 3 313.323 3.443 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2cccs2)CC1 ZINC000768197623 622445063 /nfs/dbraw/zinc/44/50/63/622445063.db2.gz LCLUVYGJSMWZGQ-UHFFFAOYSA-N -1 3 322.861 3.425 20 10 DGCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C[C@H]1CC=CCC1 ZINC000769381121 622522901 /nfs/dbraw/zinc/52/29/01/622522901.db2.gz LDEUYNWKPVERER-ZDUSSCGKSA-N -1 3 323.820 3.377 20 10 DGCDHM COC(=O)[C@@H](c1ccccc1)N(C)Cc1cc(Cl)ccc1[O-] ZINC000769425744 622526918 /nfs/dbraw/zinc/52/69/18/622526918.db2.gz XEOBNLVCJIUXKM-MRXNPFEDSA-N -1 3 319.788 3.392 20 10 DGCDHM CCN(CCC(F)(F)F)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774871277 623203338 /nfs/dbraw/zinc/20/33/38/623203338.db2.gz XYIRKLIGNOSQOU-UHFFFAOYSA-N -1 3 322.283 3.083 20 10 DGCDHM COc1c([O-])c(CNc2ccc(F)c(F)c2)ccc1[N+](=O)[O-] ZINC000775037796 623218930 /nfs/dbraw/zinc/21/89/30/623218930.db2.gz CKXDIVHYDAYKJM-UHFFFAOYSA-N -1 3 310.256 3.199 20 10 DGCDHM COc1c([O-])c(CN2CCc3ccc(C)cc32)ccc1[N+](=O)[O-] ZINC000775057682 623222738 /nfs/dbraw/zinc/22/27/38/623222738.db2.gz PFIFAJLAVVPUNS-UHFFFAOYSA-N -1 3 314.341 3.180 20 10 DGCDHM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cccc(Cl)c1[O-] ZINC000775720272 623318596 /nfs/dbraw/zinc/31/85/96/623318596.db2.gz KPMKHXMBXUQURR-GJZGRUSLSA-N -1 3 324.852 3.267 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])[C@@H](C)CN1C ZINC000775987672 623361337 /nfs/dbraw/zinc/36/13/37/623361337.db2.gz VZQRUYNTGBPJGI-UWVGGRQHSA-N -1 3 303.233 3.223 20 10 DGCDHM CCCN(Cc1ccc(OC)cc1)C(=O)c1cccc(O)c1[O-] ZINC000790522930 625663780 /nfs/dbraw/zinc/66/37/80/625663780.db2.gz LXSINFKPXIUAIE-UHFFFAOYSA-N -1 3 315.369 3.159 20 10 DGCDHM COc1cc(CN(C)Cc2ccc(F)c(F)c2[O-])ccc1O ZINC000876560070 623644467 /nfs/dbraw/zinc/64/44/67/623644467.db2.gz CLNVRRAXLJEACE-UHFFFAOYSA-N -1 3 309.312 3.017 20 10 DGCDHM Cc1cc(OC(C)C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000790554165 625668620 /nfs/dbraw/zinc/66/86/20/625668620.db2.gz FZYJPLZJOWYSEQ-UHFFFAOYSA-N -1 3 301.342 3.446 20 10 DGCDHM COC[C@H](NCc1ccc(F)c(F)c1[O-])c1cccc(OC)c1 ZINC000877626201 623968680 /nfs/dbraw/zinc/96/86/80/623968680.db2.gz SAKDYVDTUCYKQW-HNNXBMFYSA-N -1 3 323.339 3.156 20 10 DGCDHM CCOc1ccc(N(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000780950833 624002840 /nfs/dbraw/zinc/00/28/40/624002840.db2.gz UKEVBJFKBOMEIW-UHFFFAOYSA-N -1 3 301.342 3.082 20 10 DGCDHM CC[C@H](C)n1nc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC000781018084 624010441 /nfs/dbraw/zinc/01/04/41/624010441.db2.gz QJZVAGGSTNVNSG-JTQLQIEISA-N -1 3 303.362 3.134 20 10 DGCDHM CC[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Cl)ccc1[O-] ZINC000790755324 625692907 /nfs/dbraw/zinc/69/29/07/625692907.db2.gz MVBJCIOZTYNOHA-TVQRCGJNSA-N -1 3 321.812 3.169 20 10 DGCDHM O=C1N[C@@H](c2c([O-])cccc2Br)Nc2ccccc21 ZINC000877842178 624065684 /nfs/dbraw/zinc/06/56/84/624065684.db2.gz AKPPQEIRNFYMMW-ZDUSSCGKSA-N -1 3 319.158 3.009 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cccnc2)c1[O-] ZINC000805746602 624357914 /nfs/dbraw/zinc/35/79/14/624357914.db2.gz CCMNHHIICUMWSU-QGZVFWFLSA-N -1 3 314.360 3.466 20 10 DGCDHM O=C(NCCCc1cccc(Cl)c1)c1cccc(O)c1[O-] ZINC000791504722 625814265 /nfs/dbraw/zinc/81/42/65/625814265.db2.gz ISTOVQUAFSMDSR-UHFFFAOYSA-N -1 3 305.761 3.114 20 10 DGCDHM COc1ccc2c(c1)OCC[C@H]2NCc1cc(F)cc(F)c1[O-] ZINC000883018677 625898488 /nfs/dbraw/zinc/89/84/88/625898488.db2.gz LMPYUHSXKYFCKY-OAHLLOKOSA-N -1 3 321.323 3.292 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1ccn(C2CCCC2)n1 ZINC000883051198 625910916 /nfs/dbraw/zinc/91/09/16/625910916.db2.gz QQGBOIIEMKXCGZ-UHFFFAOYSA-N -1 3 307.344 3.272 20 10 DGCDHM O=C(N[C@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000792630966 625968571 /nfs/dbraw/zinc/96/85/71/625968571.db2.gz XQKZLKWZFBGWFL-OCCSQVGLSA-N -1 3 315.344 3.303 20 10 DGCDHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])CCS1 ZINC000131378133 626632517 /nfs/dbraw/zinc/63/25/17/626632517.db2.gz DQDPTPINDPWGNN-SECBINFHSA-N -1 3 302.237 3.092 20 10 DGCDHM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1[O-] ZINC000809696749 626937949 /nfs/dbraw/zinc/93/79/49/626937949.db2.gz QCUXRVBXXHLMBX-PELKAZGASA-N -1 3 309.715 3.197 20 10 DGCDHM Cc1noc([C@@H]2CCCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000809719018 626941334 /nfs/dbraw/zinc/94/13/34/626941334.db2.gz USWHGCYNMDCHFG-ZDUSSCGKSA-N -1 3 307.781 3.464 20 10 DGCDHM COCc1nc(CN[C@H](C)c2cc(F)cc(F)c2[O-])cs1 ZINC000810253152 626993235 /nfs/dbraw/zinc/99/32/35/626993235.db2.gz MYWAKVXHVTUVTK-MRVPVSSYSA-N -1 3 314.357 3.124 20 10 DGCDHM C[C@@H](O)[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1ccccc1F ZINC000886631621 627177052 /nfs/dbraw/zinc/17/70/52/627177052.db2.gz RHQGGIYCUAVXMW-WVQJBOLRSA-N -1 3 307.340 3.443 20 10 DGCDHM CCc1noc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000814255664 627555006 /nfs/dbraw/zinc/55/50/06/627555006.db2.gz ZMTGXUYRWYHDTH-UHFFFAOYSA-N -1 3 312.167 3.021 20 10 DGCDHM C[C@H](Nc1ccc(F)c(NC(N)=O)c1)c1ccc(F)cc1[O-] ZINC000815632322 627692959 /nfs/dbraw/zinc/69/29/59/627692959.db2.gz JXMBLJMNMWZQGJ-QMMMGPOBSA-N -1 3 307.300 3.334 20 10 DGCDHM CCOc1ncccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816561534 627808707 /nfs/dbraw/zinc/80/87/07/627808707.db2.gz BDXNVCJIWRJBGP-UHFFFAOYSA-N -1 3 310.756 3.268 20 10 DGCDHM COc1ccc(N(C)Cc2c(F)ccc([O-])c2F)cc1OC ZINC000816569626 627810301 /nfs/dbraw/zinc/81/03/01/627810301.db2.gz RSHWOOOQPBDEEH-UHFFFAOYSA-N -1 3 309.312 3.324 20 10 DGCDHM C[C@H](N[C@@H]1CCCc2cccnc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927060337 628005020 /nfs/dbraw/zinc/00/50/20/628005020.db2.gz ABXLOVQLQHPAQQ-XHDPSFHLSA-N -1 3 313.357 3.424 20 10 DGCDHM COC(=O)c1cnc([C@H](C)N[C@H](C)c2ccc(F)cc2[O-])s1 ZINC000818355873 628017714 /nfs/dbraw/zinc/01/77/14/628017714.db2.gz KJRJERYOXDVQRX-BDAKNGLRSA-N -1 3 324.377 3.186 20 10 DGCDHM CC[C@@]1(C)CN(Cc2ccc(Br)cc2[O-])CCO1 ZINC000825634424 628779618 /nfs/dbraw/zinc/77/96/18/628779618.db2.gz NFURHNCILMFTQZ-AWEZNQCLSA-N -1 3 314.223 3.156 20 10 DGCDHM Cn1ncc(C2CCC2)c1CNCc1cc(Cl)cc(F)c1[O-] ZINC000827400558 628955924 /nfs/dbraw/zinc/95/59/24/628955924.db2.gz ATSWJQFHLSVJCU-UHFFFAOYSA-N -1 3 323.799 3.476 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)OC3(CCCC3)C2)c1[O-] ZINC000830843580 629311290 /nfs/dbraw/zinc/31/12/90/629311290.db2.gz JSGVWMHEUYETNF-LBPRGKRZSA-N -1 3 321.392 3.267 20 10 DGCDHM Cc1cc([O-])c(CN2CCc3cc(Cl)nnc3C2)c(Cl)c1 ZINC000843415096 630653698 /nfs/dbraw/zinc/65/36/98/630653698.db2.gz CFRNFGHDNPEJFC-UHFFFAOYSA-N -1 3 324.211 3.356 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](CO)[C@H]1C(F)(F)F ZINC000843413411 630653714 /nfs/dbraw/zinc/65/37/14/630653714.db2.gz IBRMTTMBSCDBAJ-ZANVPECISA-N -1 3 323.742 3.181 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CC3(F)F)C2)c1[O-] ZINC000844470442 630733006 /nfs/dbraw/zinc/73/30/06/630733006.db2.gz HWTSIFOFJNZXAI-AWEZNQCLSA-N -1 3 315.747 3.479 20 10 DGCDHM CCc1ccc([C@@H]2COCCN2Cc2cc(F)ccc2[O-])o1 ZINC000180166250 659953793 /nfs/dbraw/zinc/95/37/93/659953793.db2.gz AZIGTJSNOCLSOG-HNNXBMFYSA-N -1 3 305.349 3.260 20 10 DGCDHM COc1ccc([C@H](C)CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000185731631 660237648 /nfs/dbraw/zinc/23/76/48/660237648.db2.gz ILKMLCOVSZWTER-GFCCVEGCSA-N -1 3 315.369 3.030 20 10 DGCDHM COc1ccc([C@@H](C)CCNC(=O)c2cccc(O)c2[O-])cc1 ZINC000185731617 660237660 /nfs/dbraw/zinc/23/76/60/660237660.db2.gz ILKMLCOVSZWTER-LBPRGKRZSA-N -1 3 315.369 3.030 20 10 DGCDHM CC(C)Oc1cccc([C@@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000186944263 660598094 /nfs/dbraw/zinc/59/80/94/660598094.db2.gz JOGNAQMJYJGNFM-GFCCVEGCSA-N -1 3 315.369 3.376 20 10 DGCDHM CC(C)[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000709029839 660923537 /nfs/dbraw/zinc/92/35/37/660923537.db2.gz ORYJBMSINZOKEE-CQSZACIVSA-N -1 3 314.223 3.012 20 10 DGCDHM CCn1ncnc1CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000794832856 661108424 /nfs/dbraw/zinc/10/84/24/661108424.db2.gz CFXKMTZWDHSHSW-MRVPVSSYSA-N -1 3 315.204 3.161 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](CF)C1 ZINC000715805938 661215173 /nfs/dbraw/zinc/21/51/73/661215173.db2.gz NDXGIUPRXLXJDC-QMMMGPOBSA-N -1 3 306.150 3.085 20 10 DGCDHM O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(O)c1[O-] ZINC000184770603 656425484 /nfs/dbraw/zinc/42/54/84/656425484.db2.gz YKXCCBYMRYLKHS-UHFFFAOYSA-N -1 3 311.259 3.047 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc(C3CCCC3)nn2C)c([O-])c1O ZINC000184077823 660154729 /nfs/dbraw/zinc/15/47/29/660154729.db2.gz JXUYZJPHOJTHBT-UHFFFAOYSA-N -1 3 315.373 3.050 20 10 DGCDHM CC[C@H](C)n1nc(NC(=O)NCc2c([O-])cccc2F)cc1C ZINC000930714801 661423971 /nfs/dbraw/zinc/42/39/71/661423971.db2.gz ADGRACYSTKAZSO-JTQLQIEISA-N -1 3 320.368 3.329 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc(C2CC2)cn1 ZINC000933954078 661668306 /nfs/dbraw/zinc/66/83/06/661668306.db2.gz HILUZSPMOUCVFM-UHFFFAOYSA-N -1 3 301.321 3.125 20 10 DGCDHM O=C(Nc1ccccc1N1CCCCC1)c1cccc(O)c1[O-] ZINC000188048911 661913092 /nfs/dbraw/zinc/91/30/92/661913092.db2.gz ZTEVGIVDMZOHJO-UHFFFAOYSA-N -1 3 312.369 3.340 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000188267876 661923351 /nfs/dbraw/zinc/92/33/51/661923351.db2.gz GYCWXSOKEAJBIX-LBPRGKRZSA-N -1 3 310.353 3.193 20 10 DGCDHM Cc1ccccc1-c1cc(NC(=O)c2cccc(O)c2[O-])n(C)n1 ZINC000193117557 662123077 /nfs/dbraw/zinc/12/30/77/662123077.db2.gz UKEVDVKZBBCNSN-UHFFFAOYSA-N -1 3 323.352 3.059 20 10 DGCDHM COCC(=O)Nc1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000378907007 685146262 /nfs/dbraw/zinc/14/62/62/685146262.db2.gz ZNIUOGMSBVKILH-UHFFFAOYSA-N -1 3 320.776 3.243 20 10 DGCDHM C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001589952364 1192478832 /nfs/dbraw/zinc/47/88/32/1192478832.db2.gz NNQAIDJNEPMGTL-VHSXEESVSA-N -1 3 315.402 3.046 20 10 DGCDHM CCOc1ccc(N(CC)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001590837007 1192540462 /nfs/dbraw/zinc/54/04/62/1192540462.db2.gz GIXFEOCFWBKTJB-UHFFFAOYSA-N -1 3 323.400 3.292 20 10 DGCDHM CCOc1ccc(N(CC)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001590837007 1192540474 /nfs/dbraw/zinc/54/04/74/1192540474.db2.gz GIXFEOCFWBKTJB-UHFFFAOYSA-N -1 3 323.400 3.292 20 10 DGCDHM COc1cc(Cl)ccc1C(=O)NCc1c([O-])cccc1F ZINC001596913428 1192710954 /nfs/dbraw/zinc/71/09/54/1192710954.db2.gz YDTSKTSMLVSZFC-UHFFFAOYSA-N -1 3 309.724 3.123 20 10 DGCDHM Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(O)c1[O-] ZINC001597170864 1192721454 /nfs/dbraw/zinc/72/14/54/1192721454.db2.gz FBHMLVZCUFWCTC-UHFFFAOYSA-N -1 3 300.358 3.033 20 10 DGCDHM Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001600808646 1192900317 /nfs/dbraw/zinc/90/03/17/1192900317.db2.gz WTFRGMPSDHZFEH-DTWKUNHWSA-N -1 3 304.346 3.107 20 10 DGCDHM O=C([O-])[C@H]1CCC[C@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC001601808769 1192946573 /nfs/dbraw/zinc/94/65/73/1192946573.db2.gz OFKFFPMTVMDASK-DLBZAZTESA-N -1 3 311.381 3.402 20 10 DGCDHM Cc1cccc(Cl)c1NC(=S)NCc1ncccc1[O-] ZINC001200206166 1180451608 /nfs/dbraw/zinc/45/16/08/1180451608.db2.gz NWZTWMUUWCULFR-UHFFFAOYSA-N -1 3 307.806 3.236 20 10 DGCDHM CCN(CC)c1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1 ZINC001604288033 1193063758 /nfs/dbraw/zinc/06/37/58/1193063758.db2.gz HMQGMXWWAKMRFE-YVMONPNESA-N -1 3 320.400 3.278 20 10 DGCDHM CCN(CC)c1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1 ZINC001604288033 1193063761 /nfs/dbraw/zinc/06/37/61/1193063761.db2.gz HMQGMXWWAKMRFE-YVMONPNESA-N -1 3 320.400 3.278 20 10 DGCDHM C[C@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1cc(F)ccc1[O-] ZINC001604346534 1193067930 /nfs/dbraw/zinc/06/79/30/1193067930.db2.gz JOMKLVYMHRJGCN-NSHDSACASA-N -1 3 303.333 3.009 20 10 DGCDHM CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604983743 1193104040 /nfs/dbraw/zinc/10/40/40/1193104040.db2.gz MVZUOTGZAKAFKF-PSASIEDQSA-N -1 3 305.296 3.472 20 10 DGCDHM O=C(Cc1c[nH]c2ccc(F)cc12)NCc1c([O-])cccc1F ZINC001456028446 1182393790 /nfs/dbraw/zinc/39/37/90/1182393790.db2.gz INNMEHCAMAAWFE-UHFFFAOYSA-N -1 3 316.307 3.011 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2cc(F)ccc2o1 ZINC001456031635 1182395007 /nfs/dbraw/zinc/39/50/07/1182395007.db2.gz YQQNXNWZTRQCGL-UHFFFAOYSA-N -1 3 303.264 3.347 20 10 DGCDHM COC(=O)CCc1ccc(NCc2cccc(F)c2[O-])cc1 ZINC001462075638 1182904343 /nfs/dbraw/zinc/90/43/43/1182904343.db2.gz IXJORMLBLXFYPC-UHFFFAOYSA-N -1 3 303.333 3.249 20 10 DGCDHM Cc1cc(C)cc(CCNC(=O)NCc2c([O-])cccc2F)c1 ZINC001468909801 1183368685 /nfs/dbraw/zinc/36/86/85/1183368685.db2.gz XDMNOBFCEHOXEX-UHFFFAOYSA-N -1 3 316.376 3.190 20 10 DGCDHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001469730344 1183433157 /nfs/dbraw/zinc/43/31/57/1183433157.db2.gz UZULEFIYZCEKTP-GFCCVEGCSA-N -1 3 302.349 3.134 20 10 DGCDHM Cc1ccc2c(c1)nc(CNCc1cc(F)c(F)cc1[O-])n2C ZINC001474462411 1183925618 /nfs/dbraw/zinc/92/56/18/1183925618.db2.gz BOAYPOLTEUQQOU-UHFFFAOYSA-N -1 3 317.339 3.155 20 10 DGCDHM O=C([O-])c1cnc(S[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC001608978784 1193317654 /nfs/dbraw/zinc/31/76/54/1193317654.db2.gz RJFGIFFGQCBMPA-LBPRGKRZSA-N -1 3 320.439 3.208 20 10 DGCDHM CCCC(O)(CCC)C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609958633 1193368237 /nfs/dbraw/zinc/36/82/37/1193368237.db2.gz SPKSEPVNWZTSCP-LBPRGKRZSA-N -1 3 309.406 3.072 20 10 DGCDHM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cc(F)c(F)cc1[O-] ZINC001560790023 1189381180 /nfs/dbraw/zinc/38/11/80/1189381180.db2.gz QMZKBMJGOLLBKV-UHFFFAOYSA-N -1 3 309.360 3.323 20 10 DGCDHM Cc1cc([O-])c(CN2CC(O)(c3ccccc3)C2)c(Cl)c1 ZINC001560865789 1189395819 /nfs/dbraw/zinc/39/58/19/1189395819.db2.gz KRZLWDIVFGFCEK-UHFFFAOYSA-N -1 3 303.789 3.057 20 10 DGCDHM COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Cl)c(C)cc1[O-] ZINC001657860226 1196187115 /nfs/dbraw/zinc/18/71/15/1196187115.db2.gz NIQLDBJPQURTRI-YGRLFVJLSA-N -1 3 311.809 3.128 20 10 DGCDHM C[C@H](N1CCN(Cc2ccc(Cl)cc2[O-])CC1)C(F)(F)F ZINC001621132544 1193807634 /nfs/dbraw/zinc/80/76/34/1193807634.db2.gz YRANUOXIBVVRQQ-JTQLQIEISA-N -1 3 322.758 3.114 20 10 DGCDHM C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC001621177344 1193813916 /nfs/dbraw/zinc/81/39/16/1193813916.db2.gz YFPBDGRJTPQCMU-QLJPJBMISA-N -1 3 315.344 3.290 20 10 DGCDHM CN(Cc1ccccc1)C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC001621380144 1193836052 /nfs/dbraw/zinc/83/60/52/1193836052.db2.gz ZARNLISLFGOQAC-UHFFFAOYSA-N -1 3 316.832 3.362 20 10 DGCDHM Cc1nc2ccc(NC(=O)NCc3c([O-])cccc3F)cc2o1 ZINC001622756810 1193911294 /nfs/dbraw/zinc/91/12/94/1193911294.db2.gz WTDPIWXOAHROJZ-UHFFFAOYSA-N -1 3 315.304 3.303 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCS[C@H](c2ccccc2)C1 ZINC001628636742 1194189099 /nfs/dbraw/zinc/18/90/99/1194189099.db2.gz YYQCTVRWLJQULP-HNNXBMFYSA-N -1 3 315.394 3.028 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2cccc(F)c2o1 ZINC001635360989 1194546647 /nfs/dbraw/zinc/54/66/47/1194546647.db2.gz VSBRCUQGRRYYMA-UHFFFAOYSA-N -1 3 303.264 3.347 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1csc(-c2ccco2)n1 ZINC001638862595 1194741385 /nfs/dbraw/zinc/74/13/85/1194741385.db2.gz CKNHKTCVWUSFBH-UHFFFAOYSA-N -1 3 318.329 3.178 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(Cn2cccc2)cc1 ZINC001646035264 1195211214 /nfs/dbraw/zinc/21/12/14/1195211214.db2.gz UYIFGXUYYSXEJY-UHFFFAOYSA-N -1 3 324.355 3.311 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1ccc2c(c1)CCCO2 ZINC001649396701 1195334451 /nfs/dbraw/zinc/33/44/51/1195334451.db2.gz BOXYHSDUMJWMQV-UHFFFAOYSA-N -1 3 316.332 3.178 20 10 DGCDHM COc1c([O-])c(CNc2ncccc2SC)ccc1[N+](=O)[O-] ZINC001652767527 1195649372 /nfs/dbraw/zinc/64/93/72/1195649372.db2.gz MBHYLLDSRWLHBH-UHFFFAOYSA-N -1 3 321.358 3.038 20 10 DGCDHM O=C1CCN1c1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001657953857 1196196519 /nfs/dbraw/zinc/19/65/19/1196196519.db2.gz GVVYMOBMSKHAJV-UHFFFAOYSA-N -1 3 302.761 3.394 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@H](O)C[C@H]1c1ccccc1 ZINC001658675770 1196287711 /nfs/dbraw/zinc/28/77/11/1196287711.db2.gz OMRUVLHAGQEBEG-YOEHRIQHSA-N -1 3 319.351 3.368 20 10 DGCDHM [O-]c1c(Cl)cccc1CNCc1cn2cccc(F)c2n1 ZINC001658741183 1196294693 /nfs/dbraw/zinc/29/46/93/1196294693.db2.gz GOTIYRFXKDEWKL-UHFFFAOYSA-N -1 3 305.740 3.122 20 10 DGCDHM C[C@@]1(c2cccc(NCc3cccc(F)c3[O-])c2)COC(=O)N1 ZINC001658807288 1196303908 /nfs/dbraw/zinc/30/39/08/1196303908.db2.gz ZMHQIHIZZBZDPQ-KRWDZBQOSA-N -1 3 316.332 3.098 20 10 DGCDHM COCCCn1cc(C)c(NCc2ccc(Cl)cc2[O-])n1 ZINC001659615104 1196400197 /nfs/dbraw/zinc/40/01/97/1196400197.db2.gz GYYJLRUCVWJAAC-UHFFFAOYSA-N -1 3 309.797 3.199 20 10 DGCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])c2ccccc2NC1=O ZINC001659776750 1196414318 /nfs/dbraw/zinc/41/43/18/1196414318.db2.gz CPJHBBSHSSJRSN-NSHDSACASA-N -1 3 300.333 3.126 20 10 DGCDHM COc1ccc(F)cc1NC(=O)NCc1c([O-])cccc1F ZINC001659986534 1196434845 /nfs/dbraw/zinc/43/48/45/1196434845.db2.gz QXWGPLKUOWGVSS-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM CCOc1ccc(NC(=O)NCc2c([O-])cccc2F)c(F)c1 ZINC001672926178 1197629303 /nfs/dbraw/zinc/62/93/03/1197629303.db2.gz NPQPXDASTRWONV-UHFFFAOYSA-N -1 3 322.311 3.391 20 10 DGCDHM Cc1nc2c(cccc2NC(=O)NCc2c([O-])cccc2F)o1 ZINC001677569936 1198553109 /nfs/dbraw/zinc/55/31/09/1198553109.db2.gz LWJMTOWVAXZQJA-UHFFFAOYSA-N -1 3 315.304 3.303 20 10 DGCDHM CCc1ccc(CCNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001677849535 1198595312 /nfs/dbraw/zinc/59/53/12/1198595312.db2.gz ZPHVHUVQJDBMRV-UHFFFAOYSA-N -1 3 316.376 3.136 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1CCc2ccccc21 ZINC001682528912 1199169186 /nfs/dbraw/zinc/16/91/86/1199169186.db2.gz DXOMYDMMKJIKIW-OAHLLOKOSA-N -1 3 300.333 3.018 20 10 DGCDHM CCC[N@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1ccccc1[O-] ZINC001595886126 982914309 /nfs/dbraw/zinc/91/43/09/982914309.db2.gz YVXZCGAYXFNKBW-UHFFFAOYSA-N -1 3 302.374 3.139 20 10 DGCDHM CCC[N@@H+](Cc1cc(C(=O)[O-])c(C)[nH]1)Cc1ccccc1[O-] ZINC001595886126 982914312 /nfs/dbraw/zinc/91/43/12/982914312.db2.gz YVXZCGAYXFNKBW-UHFFFAOYSA-N -1 3 302.374 3.139 20 10 DGCDHM C[C@H]([NH2+]Cc1c2ccccc2[nH]c1C(=O)[O-])c1ccccc1[O-] ZINC001599901225 984832483 /nfs/dbraw/zinc/83/24/83/984832483.db2.gz AOYZKYSBQGMNIQ-NSHDSACASA-N -1 3 310.353 3.423 20 10 DGCDHM C[C@H]([NH2+]Cc1[nH]cc(C(=O)[O-])c1C1CC1)c1ccccc1[O-] ZINC001599901856 984848171 /nfs/dbraw/zinc/84/81/71/984848171.db2.gz ZGSLNDIBJXDBCN-JTQLQIEISA-N -1 3 300.358 3.147 20 10 DGCDHM COCc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001599293028 997093055 /nfs/dbraw/zinc/09/30/55/997093055.db2.gz AQJSIBILBQCEQD-GFCCVEGCSA-N -1 3 315.369 3.088 20 10 DGCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])[C@@H](C)CO1 ZINC000701194741 1108903151 /nfs/dbraw/zinc/90/31/51/1108903151.db2.gz WJGYQVMVLJUBST-GXFFZTMASA-N -1 3 314.223 3.154 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CC(F)(C2CC2)C1 ZINC001140099183 1081838542 /nfs/dbraw/zinc/83/85/42/1081838542.db2.gz ZICHBJOTKBEWKD-UHFFFAOYSA-N -1 3 300.171 3.089 20 10 DGCDHM O=C(Nc1ccc(O[C@@H]2CC2(F)F)cc1)c1cccc(O)c1[O-] ZINC001167415850 1082079616 /nfs/dbraw/zinc/07/96/16/1082079616.db2.gz CCRCZUNCFCPHDO-CYBMUJFWSA-N -1 3 321.279 3.137 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@@H](c2ccncc2)C1 ZINC001140466118 1082278959 /nfs/dbraw/zinc/27/89/59/1082278959.db2.gz XRHRNCMELMRQSX-MRXNPFEDSA-N -1 3 304.777 3.014 20 10 DGCDHM COC(=O)[C@H](C)c1cccc(NCc2cccc(F)c2[O-])c1 ZINC001182332619 1083691434 /nfs/dbraw/zinc/69/14/34/1083691434.db2.gz FPAMWRQIJDAPFT-LLVKDONJSA-N -1 3 303.333 3.420 20 10 DGCDHM [O-]c1c(CN2CC[C@@H](Oc3cccc(F)c3)C2)ccc(F)c1F ZINC001183363827 1083927235 /nfs/dbraw/zinc/92/72/35/1083927235.db2.gz NRHZPLXDUKMLOF-CQSZACIVSA-N -1 3 323.314 3.463 20 10 DGCDHM C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1CO ZINC001203573483 1083992724 /nfs/dbraw/zinc/99/27/24/1083992724.db2.gz BXRGYPVYSGTIGE-RNCFNFMXSA-N -1 3 304.217 3.292 20 10 DGCDHM Cc1ccccc1-n1nccc1CNCc1c([O-])cccc1F ZINC001183918957 1084067027 /nfs/dbraw/zinc/06/70/27/1084067027.db2.gz DJYXBZXXCAFREG-UHFFFAOYSA-N -1 3 311.360 3.315 20 10 DGCDHM Cc1cccc(O[C@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142530416 1087278920 /nfs/dbraw/zinc/27/89/20/1087278920.db2.gz HDIWNJRMNZMXER-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM Cn1ccc(C(=O)NCc2c([O-])cccc2F)c1-c1ccccc1 ZINC001156170359 1089416462 /nfs/dbraw/zinc/41/64/62/1089416462.db2.gz LTRRNKQQGIODMR-UHFFFAOYSA-N -1 3 324.355 3.467 20 10 DGCDHM Cc1ccccc1C(F)(F)C(=O)NCc1c([O-])cccc1F ZINC001156170685 1089417055 /nfs/dbraw/zinc/41/70/55/1089417055.db2.gz RWKQHHXFESRMQX-UHFFFAOYSA-N -1 3 309.287 3.248 20 10 DGCDHM Cc1nnc(NCc2cc(Cl)c3cccnc3c2[O-])nc1C ZINC001157727099 1090089494 /nfs/dbraw/zinc/08/94/94/1090089494.db2.gz IJGFXKJUXXWVTG-UHFFFAOYSA-N -1 3 315.764 3.008 20 10 DGCDHM C[C@@H]1CO[C@@H]2CN(Cc3c([O-])ccc(Cl)c3Cl)C[C@H]12 ZINC001237083221 1090284239 /nfs/dbraw/zinc/28/42/39/1090284239.db2.gz AABPMNDOCJRPMN-JRKPZEMJSA-N -1 3 302.201 3.166 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@]2(CCCO2)C1 ZINC001203574479 1090759767 /nfs/dbraw/zinc/75/97/67/1090759767.db2.gz YAYLAOBDFMTDMG-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC(N2CCCCC2)C1 ZINC001203582092 1090761352 /nfs/dbraw/zinc/76/13/52/1090761352.db2.gz QCKRAAKTTUNYHZ-UHFFFAOYSA-N -1 3 315.244 3.369 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC(Oc2ccccc2F)C1 ZINC001203664249 1090775941 /nfs/dbraw/zinc/77/59/41/1090775941.db2.gz TXVJCEJTYPDXJX-UHFFFAOYSA-N -1 3 307.752 3.448 20 10 DGCDHM Cc1cccc(N2CCN(Cc3c([O-])cccc3F)CC2)c1 ZINC001137831519 1091091225 /nfs/dbraw/zinc/09/12/25/1091091225.db2.gz CJKALYIFLCIVJW-UHFFFAOYSA-N -1 3 300.377 3.162 20 10 DGCDHM O=C(Nc1ccc(F)cc1OC(F)F)c1cccc(O)c1[O-] ZINC001294073671 1091344381 /nfs/dbraw/zinc/34/43/81/1091344381.db2.gz UWMCLEYPTLCSHW-UHFFFAOYSA-N -1 3 313.231 3.091 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCC[C@@](C)(F)C1 ZINC001139127580 1091459501 /nfs/dbraw/zinc/45/95/01/1091459501.db2.gz YCTWUQAVPOGCBM-QGZVFWFLSA-N -1 3 305.349 3.131 20 10 DGCDHM CCOC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(Cl)cc1[O-] ZINC001140465065 1091876703 /nfs/dbraw/zinc/87/67/03/1091876703.db2.gz GZIPEDYLTUQOSG-PJODQICGSA-N -1 3 323.820 3.209 20 10 DGCDHM CN(Cc1c([O-])cc(F)cc1F)C[C@H]1Cc2ccccc2O1 ZINC001140584675 1091920116 /nfs/dbraw/zinc/92/01/16/1091920116.db2.gz AXWBSTXNLPBSCS-CYBMUJFWSA-N -1 3 305.324 3.106 20 10 DGCDHM Cc1cc(F)c(F)cc1-c1noc(-c2cccc(O)c2[O-])n1 ZINC001215145751 1093926728 /nfs/dbraw/zinc/92/67/28/1093926728.db2.gz HBTOZZSPBFXRQB-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM CC(=O)c1cc(NC(=O)NCc2c([O-])cccc2F)ccc1C ZINC001219279802 1094957566 /nfs/dbraw/zinc/95/75/66/1094957566.db2.gz BETFDEBPYLVLHG-UHFFFAOYSA-N -1 3 316.332 3.364 20 10 DGCDHM [O-]c1cccc(F)c1CN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001137831790 1095755741 /nfs/dbraw/zinc/75/57/41/1095755741.db2.gz NQAWTXHNPOXBMH-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM CC(C)(C)OC(=O)NC[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137837774 1095759457 /nfs/dbraw/zinc/75/94/57/1095759457.db2.gz UOKPNZZOPBEDBP-LBPRGKRZSA-N -1 3 324.396 3.020 20 10 DGCDHM Cc1ccc(CNC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001224022077 1096117820 /nfs/dbraw/zinc/11/78/20/1096117820.db2.gz IFMORHYPJMNMQP-UHFFFAOYSA-N -1 3 302.349 3.148 20 10 DGCDHM CC(C)n1ncc(NCc2cc3ccccc3cc2[O-])cc1=O ZINC001171407159 1096678189 /nfs/dbraw/zinc/67/81/89/1096678189.db2.gz LROPKDAMCYWZSW-UHFFFAOYSA-N -1 3 309.369 3.295 20 10 DGCDHM Cc1ccc([C@@H](C)CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001228282000 1097088235 /nfs/dbraw/zinc/08/82/35/1097088235.db2.gz RIBAPZGWRFEFKT-ZDUSSCGKSA-N -1 3 316.376 3.443 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC001229184406 1097272847 /nfs/dbraw/zinc/27/28/47/1097272847.db2.gz FDNCLHRUOCISCY-IUODEOHRSA-N -1 3 306.381 3.299 20 10 DGCDHM CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454180 1097754003 /nfs/dbraw/zinc/75/40/03/1097754003.db2.gz OTTMZAAJKBSYPX-UHFFFAOYSA-N -1 3 315.369 3.121 20 10 DGCDHM CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454180 1097754007 /nfs/dbraw/zinc/75/40/07/1097754007.db2.gz OTTMZAAJKBSYPX-UHFFFAOYSA-N -1 3 315.369 3.121 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001231565606 1097780377 /nfs/dbraw/zinc/78/03/77/1097780377.db2.gz IDOUGZUYQXFBFS-HNNXBMFYSA-N -1 3 303.402 3.493 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001231565606 1097780382 /nfs/dbraw/zinc/78/03/82/1097780382.db2.gz IDOUGZUYQXFBFS-HNNXBMFYSA-N -1 3 303.402 3.493 20 10 DGCDHM COc1ccccc1[C@H](C)N(C)Cc1cc(C(=O)[O-])ccc1O ZINC001231566027 1097780802 /nfs/dbraw/zinc/78/08/02/1097780802.db2.gz NSSYWBZNCGWLMS-LBPRGKRZSA-N -1 3 315.369 3.292 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001231912578 1097889834 /nfs/dbraw/zinc/88/98/34/1097889834.db2.gz PDJLJARLMZYMAJ-CYBMUJFWSA-N -1 3 303.736 3.046 20 10 DGCDHM [O-]c1cc(O)c(CN2CCc3c(O)cccc3C2)cc1Cl ZINC001232261013 1097984537 /nfs/dbraw/zinc/98/45/37/1097984537.db2.gz UZGXAVCMXMSHDX-UHFFFAOYSA-N -1 3 305.761 3.015 20 10 DGCDHM COc1cc([O-])c(CN2CC[C@H](CF)C(F)(F)C2)cc1Cl ZINC001232267029 1097986121 /nfs/dbraw/zinc/98/61/21/1097986121.db2.gz VGNXNIDJGKPTCM-SNVBAGLBSA-N -1 3 323.742 3.481 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H]2c2ncccn2)cc1Cl ZINC001232271513 1097988256 /nfs/dbraw/zinc/98/82/56/1097988256.db2.gz VNQKANSVHJNJGU-ZDUSSCGKSA-N -1 3 319.792 3.181 20 10 DGCDHM Cc1cccc(O[C@@H]2CCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233079948 1098220606 /nfs/dbraw/zinc/22/06/06/1098220606.db2.gz OFGTUWMTBWGAQD-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC(Oc2ccncc2)CC1 ZINC001233332621 1098291433 /nfs/dbraw/zinc/29/14/33/1098291433.db2.gz RKRBKBSVGHLVEC-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM CN(CCC(=O)c1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233334993 1098291862 /nfs/dbraw/zinc/29/18/62/1098291862.db2.gz CLCICUGTGGMEMY-UHFFFAOYSA-N -1 3 305.324 3.375 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001233334567 1098293203 /nfs/dbraw/zinc/29/32/03/1098293203.db2.gz LYCJCACPLODIKT-ZDUSSCGKSA-N -1 3 323.314 3.463 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@H](Oc2cccc(F)c2)C1 ZINC001233336357 1098293914 /nfs/dbraw/zinc/29/39/14/1098293914.db2.gz JBNSUNZSJIQZJW-ZDUSSCGKSA-N -1 3 323.314 3.463 20 10 DGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC2(C1)CC(F)(F)CO2 ZINC001233455089 1098340354 /nfs/dbraw/zinc/34/03/54/1098340354.db2.gz VSYWLCYSNLCGKN-UHFFFAOYSA-N -1 3 323.261 3.021 20 10 DGCDHM O=C1C[C@H](c2cccc(NCc3c([O-])cccc3Cl)c2)CN1 ZINC001178249376 1098754576 /nfs/dbraw/zinc/75/45/76/1098754576.db2.gz OHGBMMHSQBVGEN-LBPRGKRZSA-N -1 3 316.788 3.261 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@]12CCOC2 ZINC001236799495 1099794531 /nfs/dbraw/zinc/79/45/31/1099794531.db2.gz OYAHVAWWTKQHOV-CQSZACIVSA-N -1 3 302.201 3.454 20 10 DGCDHM COc1ccc(CN2CC[C@H]3CCCO[C@H]3C2)c([O-])c1Cl ZINC001236801385 1099795943 /nfs/dbraw/zinc/79/59/43/1099795943.db2.gz IICHUNVCTYOTGF-RISCZKNCSA-N -1 3 311.809 3.055 20 10 DGCDHM COc1ccc(CN2CC[C@@H]3CCCO[C@@H]3C2)c([O-])c1Cl ZINC001236801386 1099796220 /nfs/dbraw/zinc/79/62/20/1099796220.db2.gz IICHUNVCTYOTGF-SMDDNHRTSA-N -1 3 311.809 3.055 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H]2c2nc(C)no2)c(Cl)c1 ZINC001236803960 1099797521 /nfs/dbraw/zinc/79/75/21/1099797521.db2.gz RJUUNRLMNFGJAR-ZDUSSCGKSA-N -1 3 323.780 3.083 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H](F)C2)c(Br)c1 ZINC001237058602 1099949607 /nfs/dbraw/zinc/94/96/07/1099949607.db2.gz HDPNBYMSQQNLMO-SECBINFHSA-N -1 3 318.186 3.097 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H](F)C2)c(Br)c1 ZINC001237058603 1099951116 /nfs/dbraw/zinc/95/11/16/1099951116.db2.gz HDPNBYMSQQNLMO-VIFPVBQESA-N -1 3 318.186 3.097 20 10 DGCDHM CCOCCN(CCOCC)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622234 1100191822 /nfs/dbraw/zinc/19/18/22/1100191822.db2.gz OWQIHIAONSOBRJ-UHFFFAOYSA-N -1 3 319.804 3.060 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CCC2(C[C@@H](F)CO2)CC1 ZINC001237806389 1100254207 /nfs/dbraw/zinc/25/42/07/1100254207.db2.gz VEMORZXLCBYYHC-GFCCVEGCSA-N -1 3 317.763 3.278 20 10 DGCDHM CN(Cc1cnc2ccccn12)Cc1cc(F)c(Cl)cc1[O-] ZINC001237935231 1100296225 /nfs/dbraw/zinc/29/62/25/1100296225.db2.gz SIFUXZVEWDLQES-UHFFFAOYSA-N -1 3 319.767 3.464 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC(c2ncccn2)CC1 ZINC001237937163 1100297332 /nfs/dbraw/zinc/29/73/32/1100297332.db2.gz OEJVAOVLJNNYQF-UHFFFAOYSA-N -1 3 321.783 3.354 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CC[C@H](Oc2ccccn2)C1 ZINC001237941480 1100299811 /nfs/dbraw/zinc/29/98/11/1100299811.db2.gz WYIDXFUOUZIXSZ-LBPRGKRZSA-N -1 3 322.767 3.233 20 10 DGCDHM CC(=O)c1c(F)cccc1NC(=O)c1ccc([O-])c(O)c1Cl ZINC001193229004 1100722597 /nfs/dbraw/zinc/72/25/97/1100722597.db2.gz CERMBKNHPPEVRJ-UHFFFAOYSA-N -1 3 323.707 3.345 20 10 DGCDHM CO[C@H]1CC[C@@H](C)N(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC001196887132 1101414744 /nfs/dbraw/zinc/41/47/44/1101414744.db2.gz FWACKQCCARECAJ-YGRLFVJLSA-N -1 3 311.809 3.248 20 10 DGCDHM Cc1cc(CN(C)CC(F)(F)F)c([O-])cc1Br ZINC001250120480 1105445675 /nfs/dbraw/zinc/44/56/75/1105445675.db2.gz FNYYLKMWZWRHCO-UHFFFAOYSA-N -1 3 312.129 3.457 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001254228389 1106040424 /nfs/dbraw/zinc/04/04/24/1106040424.db2.gz HGIHQYUOSFVSCS-UHFFFAOYSA-N -1 3 318.716 3.098 20 10 DGCDHM [O-]c1c(O)cccc1-c1nnc(Cc2ccccc2Cl)o1 ZINC001254336029 1106055871 /nfs/dbraw/zinc/05/58/71/1106055871.db2.gz QGMYUCJPGXNTCB-UHFFFAOYSA-N -1 3 302.717 3.392 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(CCC3CCCCC3)o2)cc1O ZINC001256787916 1106483234 /nfs/dbraw/zinc/48/32/34/1106483234.db2.gz HMOBADTZKKZHSY-UHFFFAOYSA-N -1 3 304.346 3.366 20 10 DGCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001256795663 1106484977 /nfs/dbraw/zinc/48/49/77/1106484977.db2.gz HXHSOIBEYIUUAF-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM [O-]c1cncc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)c1 ZINC001256974417 1106519310 /nfs/dbraw/zinc/51/93/10/1106519310.db2.gz AVHYYCRZVFYLLV-UHFFFAOYSA-N -1 3 304.309 3.295 20 10 DGCDHM C[C@@H](Cc1ccccc1F)C(=O)NCc1c([O-])cccc1F ZINC001303878730 1107276515 /nfs/dbraw/zinc/27/65/15/1107276515.db2.gz RPAXBYRUXHEEQR-NSHDSACASA-N -1 3 305.324 3.165 20 10 DGCDHM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)ccc1F ZINC001260760085 1107315254 /nfs/dbraw/zinc/31/52/54/1107315254.db2.gz KUVDYJGHCIVDFF-UHFFFAOYSA-N -1 3 309.362 3.257 20 10 DGCDHM Cn1ccc2ccc(NCc3cc(F)c(F)cc3[O-])cc2c1=O ZINC001308752254 1111469977 /nfs/dbraw/zinc/46/99/77/1111469977.db2.gz QCBIAVKETHXFGF-UHFFFAOYSA-N -1 3 316.307 3.134 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC001308791762 1111475849 /nfs/dbraw/zinc/47/58/49/1111475849.db2.gz HDONVROJVITEHY-HZPDHXFCSA-N -1 3 309.356 3.204 20 10 DGCDHM CCOC(=O)[C@H](CC1CC1)NCc1cc(Cl)c(C)cc1[O-] ZINC001308927619 1111494955 /nfs/dbraw/zinc/49/49/55/1111494955.db2.gz KCEYLCJJDPIFLF-AWEZNQCLSA-N -1 3 311.809 3.175 20 10 DGCDHM COC1(C(F)(F)F)CN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC001308957275 1111500207 /nfs/dbraw/zinc/50/02/07/1111500207.db2.gz YVSZVJLSWAPZMB-UHFFFAOYSA-N -1 3 309.715 3.117 20 10 DGCDHM COC(=O)/C=C/c1ccc(CNCc2cccc(Cl)c2[O-])o1 ZINC001308974758 1111502852 /nfs/dbraw/zinc/50/28/52/1111502852.db2.gz KQBHAPZSSDWWRD-BQYQJAHWSA-N -1 3 321.760 3.115 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cccn2C)c1[O-] ZINC000079395878 185168837 /nfs/dbraw/zinc/16/88/37/185168837.db2.gz VDJXZEDHVMBCLH-KRWDZBQOSA-N -1 3 316.376 3.410 20 10 DGCDHM CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1[O-] ZINC000179579882 432063900 /nfs/dbraw/zinc/06/39/00/432063900.db2.gz QNRWSJPBWRQUFD-UHFFFAOYSA-N -1 3 312.413 3.470 20 10 DGCDHM C[C@@H](N[C@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273596411 296159321 /nfs/dbraw/zinc/15/93/21/296159321.db2.gz QTDZKRZUGYDOMD-MLGOLLRUSA-N -1 3 316.357 3.075 20 10 DGCDHM [O-]c1c(F)cccc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000272511148 130036404 /nfs/dbraw/zinc/03/64/04/130036404.db2.gz XADLUBGVOWFLJF-CYBMUJFWSA-N -1 3 317.364 3.171 20 10 DGCDHM C[C@@H](O)c1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273379231 130114845 /nfs/dbraw/zinc/11/48/45/130114845.db2.gz HUJWQENDLBJLKT-VXGBXAGGSA-N -1 3 316.357 3.205 20 10 DGCDHM Cc1ccc([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c([O-])c1 ZINC000273537011 130133351 /nfs/dbraw/zinc/13/33/51/130133351.db2.gz XPYYPFUAFJEDBV-ABAIWWIYSA-N -1 3 307.340 3.363 20 10 DGCDHM O=C1OCC[C@@]12CCCN2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275155235 130295657 /nfs/dbraw/zinc/29/56/57/130295657.db2.gz VJZINCXWTMFZQT-FQEVSTJZSA-N -1 3 323.392 3.341 20 10 DGCDHM Cc1c2ccccc2n(C)c1C[N-]c1nnc([C@H]2CCCO2)o1 ZINC000287703517 131295599 /nfs/dbraw/zinc/29/55/99/131295599.db2.gz MZHBGYQFWPURAK-OAHLLOKOSA-N -1 3 312.373 3.333 20 10 DGCDHM C[C@@H](C(=O)N(C)C1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000269605812 432187550 /nfs/dbraw/zinc/18/75/50/432187550.db2.gz CFABGYFIBSZMSU-AWEZNQCLSA-N -1 3 304.434 3.004 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191256121 432240040 /nfs/dbraw/zinc/24/00/40/432240040.db2.gz FCOXRRBXMZOCPV-SNVBAGLBSA-N -1 3 309.772 3.287 20 10 DGCDHM CC[C@H](N[C@@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314452 288069900 /nfs/dbraw/zinc/06/99/00/288069900.db2.gz DAZQVOGYGKCYFH-UONOGXRCSA-N -1 3 310.825 3.096 20 10 DGCDHM C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185674302 432522972 /nfs/dbraw/zinc/52/29/72/432522972.db2.gz VDCSXADDZVQGKQ-YKJXYISPSA-N -1 3 303.789 3.355 20 10 DGCDHM CCCOc1ccc(CNCc2cn3c(n2)CCCC3)c([O-])c1 ZINC000263718787 432569350 /nfs/dbraw/zinc/56/93/50/432569350.db2.gz ASAHHRFDEONFOJ-UHFFFAOYSA-N -1 3 315.417 3.004 20 10 DGCDHM Cn1cc([C@H](NCc2ccccc2[O-])c2ccc(F)cc2)cn1 ZINC000187516945 432667409 /nfs/dbraw/zinc/66/74/09/432667409.db2.gz ZEQASQFNYHZOPU-GOSISDBHSA-N -1 3 311.360 3.144 20 10 DGCDHM C[C@@H](CNC(=O)OC(C)(C)C)NCc1c([O-])cccc1Cl ZINC000227690915 432713284 /nfs/dbraw/zinc/71/32/84/432713284.db2.gz JFQNOGBZCHNVRQ-JTQLQIEISA-N -1 3 314.813 3.048 20 10 DGCDHM CCc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278941399 432919970 /nfs/dbraw/zinc/91/99/70/432919970.db2.gz XUARQRFBHXDCRT-UHFFFAOYSA-N -1 3 302.330 3.484 20 10 DGCDHM CCCOc1ccc(CN2CCOC[C@H]2CC(F)F)c([O-])c1 ZINC000289800525 432974345 /nfs/dbraw/zinc/97/43/45/432974345.db2.gz SKYJYHZRBNSZQM-CYBMUJFWSA-N -1 3 315.360 3.037 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289957457 432981038 /nfs/dbraw/zinc/98/10/38/432981038.db2.gz YYYDQEVZSMEBOI-MNOVXSKESA-N -1 3 323.742 3.038 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1Cc1ccccc1 ZINC000279397081 432963785 /nfs/dbraw/zinc/96/37/85/432963785.db2.gz WDLOBGRLJXSTDC-HNNXBMFYSA-N -1 3 311.381 3.335 20 10 DGCDHM CO[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@H](C)C1 ZINC000281575823 433312881 /nfs/dbraw/zinc/31/28/81/433312881.db2.gz CWESIHPTQDEOSA-YGRLFVJLSA-N -1 3 311.809 3.248 20 10 DGCDHM CSC[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000292495642 433566166 /nfs/dbraw/zinc/56/61/66/433566166.db2.gz UBCFDDAACILUNO-GFCCVEGCSA-N -1 3 311.422 3.309 20 10 DGCDHM Cc1nc([C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)no1 ZINC000375838187 433584822 /nfs/dbraw/zinc/58/48/22/433584822.db2.gz FCQVOXFFZQLVQO-LBPRGKRZSA-N -1 3 307.781 3.117 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cnc2n1CCCC2 ZINC000376757548 433814219 /nfs/dbraw/zinc/81/42/19/433814219.db2.gz IOVQHHYMNDYAEN-UHFFFAOYSA-N -1 3 309.772 3.007 20 10 DGCDHM Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2ccncc2)c([O-])c1O ZINC000293921875 433924360 /nfs/dbraw/zinc/92/43/60/433924360.db2.gz NECSTDHILGOTOR-INIZCTEOSA-N -1 3 312.369 3.025 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378517110 434210768 /nfs/dbraw/zinc/21/07/68/434210768.db2.gz JCKWPLAOWBOJJB-KRWDZBQOSA-N -1 3 321.779 3.278 20 10 DGCDHM C[C@H](N[C@@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372914 434611482 /nfs/dbraw/zinc/61/14/82/434611482.db2.gz GDHOZIJDSWMHQU-YVEFUNNKSA-N -1 3 300.377 3.369 20 10 DGCDHM CC(C)(CO)[C@@H](NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000293748058 335113197 /nfs/dbraw/zinc/11/31/97/335113197.db2.gz WNINRRXVOCMLCG-INIZCTEOSA-N -1 3 320.820 3.290 20 10 DGCDHM CC(C)=CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158079610 519400464 /nfs/dbraw/zinc/40/04/64/519400464.db2.gz BDSCAHXYDSHPPT-HNNXBMFYSA-N -1 3 322.836 3.092 20 10 DGCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(C)(C)F ZINC000158236344 521285156 /nfs/dbraw/zinc/28/51/56/521285156.db2.gz CYGPKVNGHPDVKU-UHFFFAOYSA-N -1 3 318.186 3.251 20 10 DGCDHM CO[C@H](C)c1nc(CNCc2c([O-])cccc2Cl)cs1 ZINC000267630887 523915108 /nfs/dbraw/zinc/91/51/08/523915108.db2.gz NUWRAMFAWKBXEQ-SECBINFHSA-N -1 3 312.822 3.499 20 10 DGCDHM CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000272259361 534898459 /nfs/dbraw/zinc/89/84/59/534898459.db2.gz JUOUNQDSBPMHIU-ZDUSSCGKSA-N -1 3 324.396 3.020 20 10 DGCDHM Cc1csc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)n1 ZINC000126956400 526342344 /nfs/dbraw/zinc/34/23/44/526342344.db2.gz LQWXQZIPFDTJKS-OAHLLOKOSA-N -1 3 318.442 3.338 20 10 DGCDHM CC[C@@H](N[C@@H](C)C(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000287669313 535807883 /nfs/dbraw/zinc/80/78/83/535807883.db2.gz MCVAHGSYARCWAT-QPUJVOFHSA-N -1 3 319.232 3.216 20 10 DGCDHM CCc1cnc(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])s1 ZINC000273588337 536054069 /nfs/dbraw/zinc/05/40/69/536054069.db2.gz OKQRGDYPLNTJEJ-SNVBAGLBSA-N -1 3 320.414 3.049 20 10 DGCDHM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1cc([O-])cs1 ZINC000746893574 574520034 /nfs/dbraw/zinc/52/00/34/574520034.db2.gz CMEHRMHHLJHYCC-UZJPJQLHSA-N -1 3 323.439 3.024 20 10 DGCDHM O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cc([O-])cs1 ZINC000731869901 574560530 /nfs/dbraw/zinc/56/05/30/574560530.db2.gz QKRZWVYDERMZNG-UHFFFAOYSA-N -1 3 318.276 3.042 20 10 DGCDHM Cc1ccccc1-c1noc(CN(C)Cc2ccccc2[O-])n1 ZINC000731843459 574559986 /nfs/dbraw/zinc/55/99/86/574559986.db2.gz IKQIWIKNUWUGJI-UHFFFAOYSA-N -1 3 309.369 3.383 20 10 DGCDHM O=C(NCCCn1ccc2ccccc21)c1cc([O-])cs1 ZINC000731865258 574560651 /nfs/dbraw/zinc/56/06/51/574560651.db2.gz MPVGQLWPVRYCFN-UHFFFAOYSA-N -1 3 300.383 3.229 20 10 DGCDHM CCCC(=O)Nc1cccc(CNC(=O)c2cc([O-])cs2)c1 ZINC000731871355 574560770 /nfs/dbraw/zinc/56/07/70/574560770.db2.gz CVVKTELFZXXDGM-UHFFFAOYSA-N -1 3 318.398 3.122 20 10 DGCDHM CC(C)Oc1ccc(CCNC(=O)c2cc([O-])cs2)cc1 ZINC000731869044 574561293 /nfs/dbraw/zinc/56/12/93/574561293.db2.gz JIYLJQPDGRXWOY-UHFFFAOYSA-N -1 3 305.399 3.213 20 10 DGCDHM Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)c1 ZINC000731909669 574561948 /nfs/dbraw/zinc/56/19/48/574561948.db2.gz INJHOJUNUVLKJV-LLVKDONJSA-N -1 3 319.382 3.255 20 10 DGCDHM CN(Cc1ccn(-c2cccc(F)c2)n1)Cc1ccccc1[O-] ZINC000732203256 574568100 /nfs/dbraw/zinc/56/81/00/574568100.db2.gz SEEQIRYKWQEXKD-UHFFFAOYSA-N -1 3 311.360 3.349 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC(c2ccc(O)cc2)CC1 ZINC000732265892 574569325 /nfs/dbraw/zinc/56/93/25/574569325.db2.gz KWKATNKZINVOPF-UHFFFAOYSA-N -1 3 303.383 3.179 20 10 DGCDHM O=C(NCc1cccc(Br)c1)c1cc([O-])cs1 ZINC000732267155 574569664 /nfs/dbraw/zinc/56/96/64/574569664.db2.gz CHMYSCFNESDARD-UHFFFAOYSA-N -1 3 312.188 3.146 20 10 DGCDHM O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cc([O-])cs1 ZINC000732276995 574570140 /nfs/dbraw/zinc/57/01/40/574570140.db2.gz ZZDUGBKIDVHQCD-LBPRGKRZSA-N -1 3 307.346 3.237 20 10 DGCDHM Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000732277321 574570144 /nfs/dbraw/zinc/57/01/44/574570144.db2.gz DVXAEROGEOTICK-GFCCVEGCSA-N -1 3 305.399 3.268 20 10 DGCDHM O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1cc([O-])cs1 ZINC000732277524 574570164 /nfs/dbraw/zinc/57/01/64/574570164.db2.gz JQWFQISGTDXCLQ-BBRMVZONSA-N -1 3 317.410 3.351 20 10 DGCDHM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1cc([O-])cs1 ZINC000732353052 574572082 /nfs/dbraw/zinc/57/20/82/574572082.db2.gz KWUHMEYUZYGEKA-CYBMUJFWSA-N -1 3 302.351 3.198 20 10 DGCDHM Cc1ccccc1-c1noc(COC(=O)c2cc([O-])cs2)n1 ZINC000732353914 574572223 /nfs/dbraw/zinc/57/22/23/574572223.db2.gz WRXPMNIZWMBWIY-UHFFFAOYSA-N -1 3 316.338 3.169 20 10 DGCDHM COc1ccc(CNCc2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000733326000 574615905 /nfs/dbraw/zinc/61/59/05/574615905.db2.gz COPLWZGNSSQLKG-UHFFFAOYSA-N -1 3 322.748 3.252 20 10 DGCDHM O=C(NCc1ccccc1OCC1CC1)c1cc([O-])cs1 ZINC000740141982 574925941 /nfs/dbraw/zinc/92/59/41/574925941.db2.gz CJEGDFAYETUCSM-UHFFFAOYSA-N -1 3 303.383 3.173 20 10 DGCDHM COc1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000742368990 574993005 /nfs/dbraw/zinc/99/30/05/574993005.db2.gz TVIRXBDLRKMREA-UHFFFAOYSA-N -1 3 322.748 3.252 20 10 DGCDHM C[C@@H](OC(=O)c1cc([O-])cs1)c1nc(-c2ccccc2)no1 ZINC000745001877 575368523 /nfs/dbraw/zinc/36/85/23/575368523.db2.gz DJXMZLINFACRNL-SECBINFHSA-N -1 3 316.338 3.422 20 10 DGCDHM CC[C@H](NC(=O)c1cc([O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC000749545583 575664307 /nfs/dbraw/zinc/66/43/07/575664307.db2.gz PAPKKMIRRSJVHR-LBPRGKRZSA-N -1 3 306.343 3.243 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)OCC2(C)C)c1[O-] ZINC000750819971 575754153 /nfs/dbraw/zinc/75/41/53/575754153.db2.gz LGYHGQUZFMYPAM-UHFFFAOYSA-N -1 3 309.381 3.123 20 10 DGCDHM C[C@H]1C[C@H]1c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000725847308 575929254 /nfs/dbraw/zinc/92/92/54/575929254.db2.gz ZQHVJGXOARJMGG-IINYFYTJSA-N -1 3 302.330 3.307 20 10 DGCDHM COc1cccc(CNC(=O)c2ccc(C(C)C)cc2[O-])c1O ZINC000727763988 576143631 /nfs/dbraw/zinc/14/36/31/576143631.db2.gz RNARHXNEUVSFNK-UHFFFAOYSA-N -1 3 315.369 3.160 20 10 DGCDHM Cc1cc([O-])c(CN[C@H](C)c2nnc3ccccn32)c(Cl)c1 ZINC000840871396 618044916 /nfs/dbraw/zinc/04/49/16/618044916.db2.gz DZZINOOFJFQRSW-LLVKDONJSA-N -1 3 316.792 3.248 20 10 DGCDHM CC(C)c1c[nH]c(CNCc2cccc(Br)c2[O-])n1 ZINC000894571391 618389151 /nfs/dbraw/zinc/38/91/51/618389151.db2.gz PYWYILIYNOETIV-UHFFFAOYSA-N -1 3 324.222 3.291 20 10 DGCDHM Cc1ccc(CC[C@@H](C)NC(=O)NCc2c([O-])cccc2F)o1 ZINC000920625195 620811672 /nfs/dbraw/zinc/81/16/72/620811672.db2.gz KDXPIWPBEDXVAL-LLVKDONJSA-N -1 3 320.364 3.253 20 10 DGCDHM Cn1ccc(C2CCN(Cc3cc(Cl)c(F)cc3[O-])CC2)n1 ZINC000896494575 618920388 /nfs/dbraw/zinc/92/03/88/618920388.db2.gz IMQKUELIZGKNAN-UHFFFAOYSA-N -1 3 323.799 3.298 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCn2nc(C3CC3)cc2C1 ZINC000896939998 618990254 /nfs/dbraw/zinc/99/02/54/618990254.db2.gz SFWPHIRMOAGSPI-UHFFFAOYSA-N -1 3 303.793 3.135 20 10 DGCDHM COc1cccc([C@@H](C)CC(=O)NCc2c([O-])cccc2F)c1 ZINC000928705631 619058703 /nfs/dbraw/zinc/05/87/03/619058703.db2.gz MKAYJHAXSVYKGD-LBPRGKRZSA-N -1 3 317.360 3.350 20 10 DGCDHM CCn1cnc2c1CCN(Cc1c([O-])cc(C)cc1Cl)C2 ZINC000897333755 619061219 /nfs/dbraw/zinc/06/12/19/619061219.db2.gz NGIZVGFJFUXDIS-UHFFFAOYSA-N -1 3 305.809 3.129 20 10 DGCDHM COc1c([O-])c(CNc2cncc(C(C)C)c2)ccc1[N+](=O)[O-] ZINC000897706829 619174255 /nfs/dbraw/zinc/17/42/55/619174255.db2.gz ALEYIUKGTAAQCG-UHFFFAOYSA-N -1 3 317.345 3.440 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NCC1(c2ccccc2)CC1 ZINC000913977133 620497319 /nfs/dbraw/zinc/49/73/19/620497319.db2.gz GXYJGGREXBYODJ-UHFFFAOYSA-N -1 3 314.360 3.062 20 10 DGCDHM O=C(Nc1ccc2c(c1)[C@H](O)CCCC2)c1cccc(O)c1[O-] ZINC000855549329 620911962 /nfs/dbraw/zinc/91/19/62/620911962.db2.gz AXKACUGZBVSAMV-OAHLLOKOSA-N -1 3 313.353 3.110 20 10 DGCDHM CSCCCCCCNC(=O)NCc1c([O-])cccc1F ZINC000921908788 620967017 /nfs/dbraw/zinc/96/70/17/620967017.db2.gz RMPGXXMNLKYXRY-UHFFFAOYSA-N -1 3 314.426 3.254 20 10 DGCDHM COc1ccc(F)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000857081720 621056489 /nfs/dbraw/zinc/05/64/89/621056489.db2.gz QRPGIUZMZPIOCD-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM Cc1cc(Br)c([O-])c(CNc2nncn2C2CC2)c1 ZINC000922658039 621074852 /nfs/dbraw/zinc/07/48/52/621074852.db2.gz IBOREPSDPJCQHX-UHFFFAOYSA-N -1 3 323.194 3.002 20 10 DGCDHM [O-]c1c(Br)cccc1CN1CC2(CC(F)C2)C1 ZINC000839139754 621340421 /nfs/dbraw/zinc/34/04/21/621340421.db2.gz KYBDQFGACOUYEZ-UHFFFAOYSA-N -1 3 300.171 3.089 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)[C@@H](C)[C@H](C)O1 ZINC000862337553 621575603 /nfs/dbraw/zinc/57/56/03/621575603.db2.gz WYVPKAQWTFZCIK-VWYCJHECSA-N -1 3 314.223 3.152 20 10 DGCDHM C[C@@H](NCc1nccn1CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000756539535 621646010 /nfs/dbraw/zinc/64/60/10/621646010.db2.gz PVQNJOFJZUOAQW-SECBINFHSA-N -1 3 317.286 3.141 20 10 DGCDHM CC(C)n1cc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cn1 ZINC000756575916 621650587 /nfs/dbraw/zinc/65/05/87/621650587.db2.gz RFCAOSBVUTYNAW-NWDGAFQWSA-N -1 3 318.377 3.490 20 10 DGCDHM CC(C)c1nnc([C@H](C)N[C@@H](C)c2cc(F)cc(F)c2[O-])[nH]1 ZINC000756777650 621663702 /nfs/dbraw/zinc/66/37/02/621663702.db2.gz KFFGFZZOLVJOFM-IUCAKERBSA-N -1 3 310.348 3.324 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cnn(C(C)(C)C)c2)c1 ZINC000756857387 621668639 /nfs/dbraw/zinc/66/86/39/621668639.db2.gz WKSKBMZQCLLCPM-LLVKDONJSA-N -1 3 317.389 3.303 20 10 DGCDHM C[C@@H](N[C@@H](C)c1cncc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757638773 621730703 /nfs/dbraw/zinc/73/07/03/621730703.db2.gz NKKVNQYWZALQSM-VHSXEESVSA-N -1 3 305.309 3.246 20 10 DGCDHM CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC000757865410 621743861 /nfs/dbraw/zinc/74/38/61/621743861.db2.gz GBWWKERSEQOXHU-TZMCWYRMSA-N -1 3 315.816 3.414 20 10 DGCDHM O=C(Nc1nc2c(s1)CCCCC2)c1cccc(O)c1[O-] ZINC000790069098 625599707 /nfs/dbraw/zinc/59/97/07/625599707.db2.gz JDFGSKKFDBTSNS-UHFFFAOYSA-N -1 3 304.371 3.076 20 10 DGCDHM Cc1nccnc1[C@H](C)NCc1c([O-])cccc1Br ZINC000873186638 623065891 /nfs/dbraw/zinc/06/58/91/623065891.db2.gz TWQJSNQGAHPXIN-JTQLQIEISA-N -1 3 322.206 3.104 20 10 DGCDHM Cc1cc(N[C@H](C)c2ccc(F)cc2[O-])cc(OCCO)c1 ZINC000774508616 623153655 /nfs/dbraw/zinc/15/36/55/623153655.db2.gz KSONSQSLTWJCPH-GFCCVEGCSA-N -1 3 305.349 3.384 20 10 DGCDHM COc1c([O-])c(CNc2ccc(SC)nc2)ccc1[N+](=O)[O-] ZINC000775052541 623221364 /nfs/dbraw/zinc/22/13/64/623221364.db2.gz RXQXEDANUKZHLN-UHFFFAOYSA-N -1 3 321.358 3.038 20 10 DGCDHM Cc1ccccc1-c1nc(CNCc2cc(F)ccc2[O-])no1 ZINC000776266878 623404113 /nfs/dbraw/zinc/40/41/13/623404113.db2.gz WYFWUGVNEKAJEZ-UHFFFAOYSA-N -1 3 313.332 3.180 20 10 DGCDHM O=C(NCCSc1ccc(Cl)cc1)c1cccc(O)c1[O-] ZINC000776316274 623411602 /nfs/dbraw/zinc/41/16/02/623411602.db2.gz IYIUCHQIKGVLAH-UHFFFAOYSA-N -1 3 323.801 3.273 20 10 DGCDHM COc1cc(Cl)c(C)cc1NC(=O)c1cccc(O)c1[O-] ZINC000126201845 623734574 /nfs/dbraw/zinc/73/45/74/623734574.db2.gz AKBIHCNXRDHJPJ-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC2(CCC2)c2c1cccc2F ZINC000790627710 625679537 /nfs/dbraw/zinc/67/95/37/625679537.db2.gz VZCCHTPIQZDSDD-UHFFFAOYSA-N -1 3 313.328 3.319 20 10 DGCDHM COc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(O)c1[O-] ZINC000780864268 623991847 /nfs/dbraw/zinc/99/18/47/623991847.db2.gz YCCVJULYSMMCNS-UHFFFAOYSA-N -1 3 313.353 3.008 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(OCC(F)F)cc2)c([O-])c1O ZINC000780957994 624003861 /nfs/dbraw/zinc/00/38/61/624003861.db2.gz CCQHRFVUPSXHCI-UHFFFAOYSA-N -1 3 323.295 3.302 20 10 DGCDHM Cc1c(NC(=O)c2ccc(C)c(O)c2[O-])cnn1-c1ccccc1 ZINC000780986253 624008114 /nfs/dbraw/zinc/00/81/14/624008114.db2.gz LFYTZLVAMQEESA-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CC(C)[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000790778690 625696763 /nfs/dbraw/zinc/69/67/63/625696763.db2.gz KETNZPHJFBSSDJ-OAHLLOKOSA-N -1 3 303.333 3.364 20 10 DGCDHM Cc1cn(C2CCCCC2)nc1NC(=O)c1cccc(O)c1[O-] ZINC000790927946 625716398 /nfs/dbraw/zinc/71/63/98/625716398.db2.gz PNMXPMGTAVBSPB-UHFFFAOYSA-N -1 3 315.373 3.360 20 10 DGCDHM CCO[N-]C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000790930612 625717451 /nfs/dbraw/zinc/71/74/51/625717451.db2.gz BCOABHMBXZCRFV-UHFFFAOYSA-N -1 3 306.793 3.358 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2ncsc2c1 ZINC000790945313 625718690 /nfs/dbraw/zinc/71/86/90/625718690.db2.gz JLXWFFGARXVASR-VIFPVBQESA-N -1 3 314.366 3.199 20 10 DGCDHM Cc1ccsc1[C@H](CO)NCc1c([O-])ccc(Cl)c1F ZINC000790972826 625726862 /nfs/dbraw/zinc/72/68/62/625726862.db2.gz HVKHNRGKVQZMEG-NSHDSACASA-N -1 3 315.797 3.378 20 10 DGCDHM CN(CCC(=O)OC(C)(C)C)Cc1c([O-])ccc(Cl)c1F ZINC000792169505 625918093 /nfs/dbraw/zinc/91/80/93/625918093.db2.gz LCBXDBNXYBDNBK-UHFFFAOYSA-N -1 3 317.788 3.348 20 10 DGCDHM COCC[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883083926 625921074 /nfs/dbraw/zinc/92/10/74/625921074.db2.gz CCCFYFDBGFDHBG-CQSZACIVSA-N -1 3 311.328 3.439 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN[C@H](CCO)c1ccccc1F ZINC000883152631 625945094 /nfs/dbraw/zinc/94/50/94/625945094.db2.gz BMISGFLYNUAKEF-OAHLLOKOSA-N -1 3 311.303 3.023 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C(F)F)c1[O-] ZINC000800445801 626360899 /nfs/dbraw/zinc/36/08/99/626360899.db2.gz YYBATCFMDTYUDD-ZDUSSCGKSA-N -1 3 301.308 3.354 20 10 DGCDHM COc1c([O-])c(CN2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000802657964 626565362 /nfs/dbraw/zinc/56/53/62/626565362.db2.gz XKFPJIPFKBIPMW-UHFFFAOYSA-N -1 3 318.304 3.011 20 10 DGCDHM [O-]c1cc2c(cc1CN1CCO[C@H](CF)C1)oc1ccccc12 ZINC000840171050 626902649 /nfs/dbraw/zinc/90/26/49/626902649.db2.gz DWPNAAWVXSVLHO-CYBMUJFWSA-N -1 3 315.344 3.462 20 10 DGCDHM COc1cccc(CN[C@H](C)c2c([O-])cccc2F)c1OC ZINC000886507727 627154513 /nfs/dbraw/zinc/15/45/13/627154513.db2.gz XAASBDSTBIFGHS-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM C[C@@H](NCc1cnc(C(F)(F)F)nc1)c1c([O-])cccc1F ZINC000886635170 627177896 /nfs/dbraw/zinc/17/78/96/627177896.db2.gz XUQZRHOJOCDZCE-MRVPVSSYSA-N -1 3 315.270 3.191 20 10 DGCDHM C[C@H](NCc1c(C2CCC2)cnn1C)c1c([O-])cccc1F ZINC000886637950 627178013 /nfs/dbraw/zinc/17/80/13/627178013.db2.gz ISSQWIICGJGPSN-NSHDSACASA-N -1 3 303.381 3.383 20 10 DGCDHM Cn1ncc(CNCc2cc(Cl)cc(Cl)c2[O-])c1Cl ZINC000816612166 627814333 /nfs/dbraw/zinc/81/43/33/627814333.db2.gz IHJXOCQKHCCUCW-UHFFFAOYSA-N -1 3 320.607 3.376 20 10 DGCDHM CC(C)[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CCCO1 ZINC000816674775 627823836 /nfs/dbraw/zinc/82/38/36/627823836.db2.gz KKFSXZACHZVAKV-AWEZNQCLSA-N -1 3 301.789 3.432 20 10 DGCDHM C[C@@H](NCc1cccc2c1OCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000927091728 628012639 /nfs/dbraw/zinc/01/26/39/628012639.db2.gz RSEPEBACYQUEGV-LLVKDONJSA-N -1 3 314.341 3.086 20 10 DGCDHM CC(C)(C)c1ncsc1C(=O)NCc1c([O-])cccc1F ZINC000928705799 628179372 /nfs/dbraw/zinc/17/93/72/628179372.db2.gz MYRXHNVWMCDEFM-UHFFFAOYSA-N -1 3 308.378 3.215 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@]12CCc1ccccc12 ZINC000928706751 628179393 /nfs/dbraw/zinc/17/93/93/628179393.db2.gz ZBZVPHFTSVSHQF-KXBFYZLASA-N -1 3 311.356 3.052 20 10 DGCDHM CCC(CC)n1nccc1C(=O)NCc1c([O-])cccc1F ZINC000928705333 628179634 /nfs/dbraw/zinc/17/96/34/628179634.db2.gz JPYRYFPZYHHMQW-UHFFFAOYSA-N -1 3 305.353 3.019 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1SCCc2sccc21 ZINC000928705486 628179665 /nfs/dbraw/zinc/17/96/65/628179665.db2.gz KNHFKRAXZWFFBI-AWEZNQCLSA-N -1 3 323.414 3.240 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)C12CC3CC(CC(C3)C1)C2 ZINC000928707818 628180190 /nfs/dbraw/zinc/18/01/90/628180190.db2.gz CIBUFKDJZXUNEZ-UHFFFAOYSA-N -1 3 303.377 3.364 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(N2CCCC2)c1 ZINC000928710758 628180214 /nfs/dbraw/zinc/18/02/14/628180214.db2.gz JDTXKQBVNGODBU-UHFFFAOYSA-N -1 3 314.360 3.062 20 10 DGCDHM COc1ccccc1C(C)(C)C(=O)NCc1c([O-])cccc1F ZINC000928711151 628180273 /nfs/dbraw/zinc/18/02/73/628180273.db2.gz FSDWSIQXNOJZSI-UHFFFAOYSA-N -1 3 317.360 3.134 20 10 DGCDHM C[C@H]1C[C@H](NCc2cccc(Br)c2[O-])c2nccn21 ZINC000825017677 628716653 /nfs/dbraw/zinc/71/66/53/628716653.db2.gz XDBWVJZTRWCUSP-CABZTGNLSA-N -1 3 322.206 3.147 20 10 DGCDHM C[C@@H]1CCN(Cc2ccc(Br)cc2[O-])C[C@H]1F ZINC000825440809 628761866 /nfs/dbraw/zinc/76/18/66/628761866.db2.gz LDOORQMCGDKLGI-BXKDBHETSA-N -1 3 302.187 3.335 20 10 DGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H]1C ZINC000831527002 629386083 /nfs/dbraw/zinc/38/60/83/629386083.db2.gz BBBYJJATGTWFIX-ZUZCIYMTSA-N -1 3 311.809 3.105 20 10 DGCDHM CCN(CC)c1ccc(CNCc2ccoc2C(=O)[O-])cc1 ZINC000833654133 629636034 /nfs/dbraw/zinc/63/60/34/629636034.db2.gz CHSXDTYJTFTKIL-UHFFFAOYSA-N -1 3 302.374 3.114 20 10 DGCDHM COc1ccc(O)c([C@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734028 629644041 /nfs/dbraw/zinc/64/40/41/629644041.db2.gz ZTVKOONQUVNROE-MGPLVRAMSA-N -1 3 319.332 3.016 20 10 DGCDHM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835310 629653995 /nfs/dbraw/zinc/65/39/95/629653995.db2.gz XLCQFLQABGDOGM-OLZOCXBDSA-N -1 3 314.385 3.023 20 10 DGCDHM C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835310 629653998 /nfs/dbraw/zinc/65/39/98/629653998.db2.gz XLCQFLQABGDOGM-OLZOCXBDSA-N -1 3 314.385 3.023 20 10 DGCDHM C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835312 629654078 /nfs/dbraw/zinc/65/40/78/629654078.db2.gz XLCQFLQABGDOGM-STQMWFEESA-N -1 3 314.385 3.023 20 10 DGCDHM C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835312 629654080 /nfs/dbraw/zinc/65/40/80/629654080.db2.gz XLCQFLQABGDOGM-STQMWFEESA-N -1 3 314.385 3.023 20 10 DGCDHM COCCN(Cc1c([O-])cc(C)cc1Cl)CC(F)(F)F ZINC000840912336 630376685 /nfs/dbraw/zinc/37/66/85/630376685.db2.gz MSLMZXGRHPQLSW-UHFFFAOYSA-N -1 3 311.731 3.365 20 10 DGCDHM C[C@H]1[C@@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978973 630390306 /nfs/dbraw/zinc/39/03/06/630390306.db2.gz QRIZFIGPTGFYMB-VHSXEESVSA-N -1 3 304.217 3.292 20 10 DGCDHM CCn1ccc(NCc2cc(C)cc(Br)c2[O-])n1 ZINC000850363954 632126902 /nfs/dbraw/zinc/12/69/02/632126902.db2.gz SXIQQMCMAQWCNP-UHFFFAOYSA-N -1 3 310.195 3.292 20 10 DGCDHM CC[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498830 632172690 /nfs/dbraw/zinc/17/26/90/632172690.db2.gz DQCRJYSSLHXFCY-XDTLVQLUSA-N -1 3 306.797 3.384 20 10 DGCDHM COc1cccc(OC)c1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000850505607 632174666 /nfs/dbraw/zinc/17/46/66/632174666.db2.gz TZLQYLGIDSFXJB-LLVKDONJSA-N -1 3 305.349 3.399 20 10 DGCDHM COc1cc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])cc1F ZINC000186039746 660263286 /nfs/dbraw/zinc/26/32/86/660263286.db2.gz XHGTUPKVFQHZFC-UHFFFAOYSA-N -1 3 305.305 3.115 20 10 DGCDHM O=C(N[C@@H]1CCSc2ccccc21)c1cccc(O)c1[O-] ZINC000186785463 660574576 /nfs/dbraw/zinc/57/45/76/660574576.db2.gz QYZXYPZSCMXEOR-GFCCVEGCSA-N -1 3 301.367 3.065 20 10 DGCDHM CC[C@@H]1CO[C@H](C)CN1Cc1c([O-])cccc1Br ZINC000707146663 660893652 /nfs/dbraw/zinc/89/36/52/660893652.db2.gz QDPJWOLCPRYMHV-GHMZBOCLSA-N -1 3 314.223 3.154 20 10 DGCDHM O=C(N[C@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(O)c1[O-] ZINC000794279793 661076355 /nfs/dbraw/zinc/07/63/55/661076355.db2.gz KIIJSFBJMXFVPZ-OCCSQVGLSA-N -1 3 315.344 3.303 20 10 DGCDHM CON(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000795069685 661125107 /nfs/dbraw/zinc/12/51/07/661125107.db2.gz ZAFYUDHHWWCPKY-UHFFFAOYSA-N -1 3 321.760 3.263 20 10 DGCDHM Cc1noc(C(C)C)c1NC(=O)NCc1c([O-])cccc1F ZINC000932833280 655614402 /nfs/dbraw/zinc/61/44/02/655614402.db2.gz PMKBYDRSUBGJFQ-UHFFFAOYSA-N -1 3 307.325 3.273 20 10 DGCDHM Cc1noc([C@@H]2CCCN2Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840946044 656581833 /nfs/dbraw/zinc/58/18/33/656581833.db2.gz GTNWKDGGWVTMHA-ZDUSSCGKSA-N -1 3 307.781 3.383 20 10 DGCDHM C[C@H](Nc1cccc(N2CCNC2=O)c1)c1ccc(F)cc1[O-] ZINC000320513178 657557552 /nfs/dbraw/zinc/55/75/52/657557552.db2.gz DZLGHKCIBUFFQU-NSHDSACASA-N -1 3 315.348 3.234 20 10 DGCDHM C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)c1ccc(F)cc1[O-] ZINC000170789141 659237097 /nfs/dbraw/zinc/23/70/97/659237097.db2.gz NIGUAWNZCTWVJJ-VHSXEESVSA-N -1 3 316.332 3.424 20 10 DGCDHM Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(O)c1[O-] ZINC000040817972 661832527 /nfs/dbraw/zinc/83/25/27/661832527.db2.gz JUSFHTKPBZNYNQ-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM O=C(Nc1c(F)cccc1N1CCCC1)c1cccc(O)c1[O-] ZINC001584891879 1192228527 /nfs/dbraw/zinc/22/85/27/1192228527.db2.gz AFTVJNQGDXSABP-UHFFFAOYSA-N -1 3 316.332 3.089 20 10 DGCDHM O=C(N[C@H]1C[C@H](Sc2ccccc2)C1)c1cccc(O)c1[O-] ZINC001586372958 1192325946 /nfs/dbraw/zinc/32/59/46/1192325946.db2.gz HHZYBROSFDFWNA-AULYBMBSSA-N -1 3 315.394 3.151 20 10 DGCDHM C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-])c1ccsc1 ZINC001589952367 1192478469 /nfs/dbraw/zinc/47/84/69/1192478469.db2.gz NNQAIDJNEPMGTL-ZJUUUORDSA-N -1 3 315.402 3.046 20 10 DGCDHM O=C(CCCc1ccc(O)c(F)c1)NCc1c([O-])cccc1F ZINC001596911680 1192710524 /nfs/dbraw/zinc/71/05/24/1192710524.db2.gz IXJKWOFIPFDOJE-UHFFFAOYSA-N -1 3 321.323 3.015 20 10 DGCDHM Cc1cc(N(C)C)ccc1CN[C@@H](C)c1cncc(C(=O)[O-])c1 ZINC001600236011 1192817420 /nfs/dbraw/zinc/81/74/20/1192817420.db2.gz FEIJNJXQRNVTIW-ZDUSSCGKSA-N -1 3 313.401 3.005 20 10 DGCDHM Cc1oc(C(=O)[O-])cc1CN[C@H](C)c1ccc(N(C)C)cc1 ZINC001600830037 1192902012 /nfs/dbraw/zinc/90/20/12/1192902012.db2.gz DVSLDRLWQFGOGT-LLVKDONJSA-N -1 3 302.374 3.203 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC001334343243 1178751496 /nfs/dbraw/zinc/75/14/96/1178751496.db2.gz VJSWAMGNBYTLLQ-HNNXBMFYSA-N -1 3 323.339 3.445 20 10 DGCDHM O=C([O-])[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC001602208057 1192962367 /nfs/dbraw/zinc/96/23/67/1192962367.db2.gz RXWDWTYLIAFDLJ-UWVAXJGDSA-N -1 3 323.392 3.402 20 10 DGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])CC(F)(F)F ZINC001604184178 1193058635 /nfs/dbraw/zinc/05/86/35/1193058635.db2.gz HTBMFJNLTKKYHV-IUCAKERBSA-N -1 3 305.296 3.330 20 10 DGCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2cccc(Cl)c2F)c1 ZINC001200829911 1180947391 /nfs/dbraw/zinc/94/73/91/1180947391.db2.gz FLGYHDKLHVNLNQ-UHFFFAOYSA-N -1 3 310.712 3.383 20 10 DGCDHM CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604983771 1193103999 /nfs/dbraw/zinc/10/39/99/1193103999.db2.gz MVZUOTGZAKAFKF-WPRPVWTQSA-N -1 3 305.296 3.472 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(OC(F)F)c1 ZINC001456086737 1182396430 /nfs/dbraw/zinc/39/64/30/1182396430.db2.gz HEFQOKWCFYRYAH-UHFFFAOYSA-N -1 3 311.259 3.063 20 10 DGCDHM Cc1c[nH]c(-c2ccccc2NC(=O)c2cccc(O)c2[O-])n1 ZINC001465949527 1183178776 /nfs/dbraw/zinc/17/87/76/1183178776.db2.gz NZNYMWMKBDUNCQ-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM COc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1F ZINC001466182169 1183191519 /nfs/dbraw/zinc/19/15/19/1183191519.db2.gz GWUGWUCXGPCOQL-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM Cc1cc(CC(=O)[N-]OCCC2CC2)c(C)n1-c1ccccc1 ZINC001468412743 1183332025 /nfs/dbraw/zinc/33/20/25/1183332025.db2.gz DAPNWKBNCOKXBV-UHFFFAOYSA-N -1 3 312.413 3.485 20 10 DGCDHM O=C([O-])c1cc(C[N@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC001608841120 1193306244 /nfs/dbraw/zinc/30/62/44/1193306244.db2.gz AXTMBQKVICIZDR-UHFFFAOYSA-N -1 3 316.357 3.023 20 10 DGCDHM O=C([O-])c1cc(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)on1 ZINC001608841120 1193306247 /nfs/dbraw/zinc/30/62/47/1193306247.db2.gz AXTMBQKVICIZDR-UHFFFAOYSA-N -1 3 316.357 3.023 20 10 DGCDHM C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609740390 1193353559 /nfs/dbraw/zinc/35/35/59/1193353559.db2.gz DYIQMBDSGXAFQH-NWDGAFQWSA-N -1 3 303.358 3.355 20 10 DGCDHM C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609750104 1193354032 /nfs/dbraw/zinc/35/40/32/1193354032.db2.gz MCYZRWMVPGJAFK-WDEREUQCSA-N -1 3 305.399 3.434 20 10 DGCDHM C[C@H](NCc1ccsc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001609782487 1193356887 /nfs/dbraw/zinc/35/68/87/1193356887.db2.gz SCWQDKNDMYEMMC-NSHDSACASA-N -1 3 304.415 3.363 20 10 DGCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833667 1193359249 /nfs/dbraw/zinc/35/92/49/1193359249.db2.gz LSQYKYHAYUGHEQ-CXAGYDPISA-N -1 3 311.381 3.354 20 10 DGCDHM C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC001609833667 1193359253 /nfs/dbraw/zinc/35/92/53/1193359253.db2.gz LSQYKYHAYUGHEQ-CXAGYDPISA-N -1 3 311.381 3.354 20 10 DGCDHM CCOc1ccc(C[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC001610041825 1193373051 /nfs/dbraw/zinc/37/30/51/1193373051.db2.gz DWSFOFQIOYOVBH-GFCCVEGCSA-N -1 3 315.369 3.340 20 10 DGCDHM CC[C@@H](C)Oc1cc(NCc2c([O-])cccc2F)nc(C)n1 ZINC001612950141 1193464550 /nfs/dbraw/zinc/46/45/50/1193464550.db2.gz GNBXXHUZKDVTPP-SNVBAGLBSA-N -1 3 305.353 3.419 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(-n3ccnc3)c(C)c2)c([O-])c1O ZINC001614883980 1193514207 /nfs/dbraw/zinc/51/42/07/1193514207.db2.gz LUHJTYUFDZIXCC-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c([O-])c1 ZINC001544308368 1188387391 /nfs/dbraw/zinc/38/73/91/1188387391.db2.gz JLTUSFAJXRTTMY-UHFFFAOYSA-N -1 3 316.376 3.090 20 10 DGCDHM O=C(/C=C/c1ccc(O)c(O)c1)Nc1c([O-])cccc1Cl ZINC001556784088 1189019780 /nfs/dbraw/zinc/01/97/80/1189019780.db2.gz JYECJAXEUMLODE-FNORWQNLSA-N -1 3 305.717 3.109 20 10 DGCDHM C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1c([O-])cccc1F ZINC001558454961 1189126557 /nfs/dbraw/zinc/12/65/57/1189126557.db2.gz IPUXAJIWHXUCSJ-SNVBAGLBSA-N -1 3 323.751 3.268 20 10 DGCDHM CC(C)Oc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001558454888 1189126562 /nfs/dbraw/zinc/12/65/62/1189126562.db2.gz GLCOHWLJSQSBOL-UHFFFAOYSA-N -1 3 303.333 3.249 20 10 DGCDHM [O-]c1cccc(F)c1CNc1nc2ccccc2n2cncc12 ZINC001559284915 1189191988 /nfs/dbraw/zinc/19/19/88/1189191988.db2.gz WDIAFCCLEMFWQD-UHFFFAOYSA-N -1 3 308.316 3.339 20 10 DGCDHM Cc1cc(Br)c([O-])c(CNCc2nccs2)c1 ZINC001560282132 1189305656 /nfs/dbraw/zinc/30/56/56/1189305656.db2.gz WBDAKLXEQFZSTO-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM COCCc1ccccc1NC(=O)NCc1c([O-])cccc1F ZINC001562625924 1189488366 /nfs/dbraw/zinc/48/83/66/1189488366.db2.gz ZZJZQPYRZGJZKO-UHFFFAOYSA-N -1 3 318.348 3.042 20 10 DGCDHM CCCN(C)c1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC001631397867 1194333049 /nfs/dbraw/zinc/33/30/49/1194333049.db2.gz JMBFWQJMHZECCG-UHFFFAOYSA-N -1 3 300.358 3.196 20 10 DGCDHM COc1cc(NC(=O)c2cccc(O)c2[O-])c(Cl)c(OC)c1 ZINC001637844899 1194689833 /nfs/dbraw/zinc/68/98/33/1194689833.db2.gz WRBKEUFJDNUUSN-UHFFFAOYSA-N -1 3 323.732 3.021 20 10 DGCDHM O=C(CCCOc1ccccc1F)NCc1c([O-])cccc1F ZINC001638862872 1194741437 /nfs/dbraw/zinc/74/14/37/1194741437.db2.gz GLMLFUJQGKHEGL-UHFFFAOYSA-N -1 3 321.323 3.146 20 10 DGCDHM Cc1ncoc1-c1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001645010542 1195149980 /nfs/dbraw/zinc/14/99/80/1195149980.db2.gz YLWRYDNUFNXFPD-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM CCn1c(C(=O)NCc2c([O-])cccc2F)cc2ccccc21 ZINC001645048188 1195152426 /nfs/dbraw/zinc/15/24/26/1195152426.db2.gz KKGIRLOTRFJJOF-UHFFFAOYSA-N -1 3 312.344 3.436 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(F)c(Cl)cc1F ZINC001646035280 1195211237 /nfs/dbraw/zinc/21/12/37/1195211237.db2.gz VMSCMRVGVGFVSY-UHFFFAOYSA-N -1 3 315.678 3.393 20 10 DGCDHM CNc1cc(Cl)ccc1C(=O)NCc1c([O-])cccc1F ZINC001646034087 1195211426 /nfs/dbraw/zinc/21/14/26/1195211426.db2.gz GILFGDWAMXXKOB-UHFFFAOYSA-N -1 3 308.740 3.156 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1coc(-c2ccccc2)n1 ZINC001652298728 1195577802 /nfs/dbraw/zinc/57/78/02/1195577802.db2.gz PBHYNNZWMYGTAX-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@]1(F)c1ccccc1 ZINC001652298717 1195578016 /nfs/dbraw/zinc/57/80/16/1195578016.db2.gz OLLHHNXSZJTJSD-GUYCJALGSA-N -1 3 303.308 3.032 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(O)(c2ccccc2)CC1 ZINC001657663389 1196165874 /nfs/dbraw/zinc/16/58/74/1196165874.db2.gz RGCMSMPDKKXWDL-UHFFFAOYSA-N -1 3 319.351 3.154 20 10 DGCDHM C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(Cl)cc1[O-] ZINC001659756720 1196411188 /nfs/dbraw/zinc/41/11/88/1196411188.db2.gz ZIIIYNULHKZYFI-PELKAZGASA-N -1 3 309.715 3.197 20 10 DGCDHM Cc1c(NC(=O)NCc2c([O-])cccc2F)cccc1N(C)C ZINC001660191630 1196455699 /nfs/dbraw/zinc/45/56/99/1196455699.db2.gz CIPOJYUGPAHTAD-UHFFFAOYSA-N -1 3 317.364 3.227 20 10 DGCDHM Cc1csc([C@H](NCc2cc([N+](=O)[O-])ccc2[O-])C2CC2)n1 ZINC001661563022 1196619882 /nfs/dbraw/zinc/61/98/82/1196619882.db2.gz VAXAJGXOBKXCFC-CQSZACIVSA-N -1 3 319.386 3.306 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1nsc2ccccc21 ZINC001663167808 1196802940 /nfs/dbraw/zinc/80/29/40/1196802940.db2.gz MQWZRUZKKVQFKV-UHFFFAOYSA-N -1 3 317.345 3.463 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC001663591619 1196910059 /nfs/dbraw/zinc/91/00/59/1196910059.db2.gz USTBOKWLPVWHDG-UHFFFAOYSA-N -1 3 315.323 3.146 20 10 DGCDHM Cc1ccccc1C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC001676478053 1198332364 /nfs/dbraw/zinc/33/23/64/1198332364.db2.gz UOJXZZYNAMTTOF-CYBMUJFWSA-N -1 3 316.376 3.270 20 10 DGCDHM O=C(NCCCc1cccc(F)c1)NCc1c([O-])cccc1F ZINC001677114793 1198475288 /nfs/dbraw/zinc/47/52/88/1198475288.db2.gz NEBTVAXWDPWIRU-UHFFFAOYSA-N -1 3 320.339 3.102 20 10 DGCDHM Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1Br ZINC000126182769 1200502844 /nfs/dbraw/zinc/50/28/44/1200502844.db2.gz SYPCGLSXAPSWHC-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM C[C@H](Cc1cccs1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592902825 979828924 /nfs/dbraw/zinc/82/89/24/979828924.db2.gz ORKYNMDQICQBDR-GHMZBOCLSA-N -1 3 305.399 3.434 20 10 DGCDHM C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001592902826 979829396 /nfs/dbraw/zinc/82/93/96/979829396.db2.gz ORKYNMDQICQBDR-MNOVXSKESA-N -1 3 305.399 3.434 20 10 DGCDHM CCCC[N@H+](Cc1occc1C(=O)[O-])Cc1ccccc1[O-] ZINC001595747212 982412847 /nfs/dbraw/zinc/41/28/47/982412847.db2.gz BLXCHDMCYOFVAM-UHFFFAOYSA-N -1 3 303.358 3.486 20 10 DGCDHM CCCC[N@@H+](Cc1occc1C(=O)[O-])Cc1ccccc1[O-] ZINC001595747212 982412851 /nfs/dbraw/zinc/41/28/51/982412851.db2.gz BLXCHDMCYOFVAM-UHFFFAOYSA-N -1 3 303.358 3.486 20 10 DGCDHM CCCc1nc(C)c(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)o1 ZINC001596083798 983406684 /nfs/dbraw/zinc/40/66/84/983406684.db2.gz VJKAQWPNEDQAJW-JTQLQIEISA-N -1 3 318.373 3.190 20 10 DGCDHM CCN(CC)c1ccc(CN(C)Cc2ccc(C(=O)[O-])o2)cc1 ZINC001596289541 983709746 /nfs/dbraw/zinc/70/97/46/983709746.db2.gz KRUFKSCYUXVQCM-UHFFFAOYSA-N -1 3 316.401 3.456 20 10 DGCDHM C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593208269 994223048 /nfs/dbraw/zinc/22/30/48/994223048.db2.gz AJEINNILGBRSTQ-PIGZYNQJSA-N -1 3 312.369 3.287 20 10 DGCDHM C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593232920 994388394 /nfs/dbraw/zinc/38/83/94/994388394.db2.gz QAWGULMUHHHGGB-PWSUYJOCSA-N -1 3 309.431 3.415 20 10 DGCDHM C[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C[C@]1(C)O ZINC001237078397 1099957406 /nfs/dbraw/zinc/95/74/06/1099957406.db2.gz RRQOBTWZLSVETL-OTYXRUKQSA-N -1 3 304.217 3.292 20 10 DGCDHM COC(=O)c1cccc2c1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140466481 1082287353 /nfs/dbraw/zinc/28/73/53/1082287353.db2.gz HEIFRQDRBRYDNB-UHFFFAOYSA-N -1 3 317.772 3.348 20 10 DGCDHM COC(=O)c1cccc(CN(C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142527413 1087278049 /nfs/dbraw/zinc/27/80/49/1087278049.db2.gz UCKRSRGDBOZKEF-UHFFFAOYSA-N -1 3 321.323 3.089 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC000698221351 1087547444 /nfs/dbraw/zinc/54/74/44/1087547444.db2.gz LVNCWFWEFWSBIF-LLVKDONJSA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1ccc(SCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001156163931 1089414820 /nfs/dbraw/zinc/41/48/20/1089414820.db2.gz GDIIHMCNDYXUSM-UHFFFAOYSA-N -1 3 305.374 3.248 20 10 DGCDHM CC(C)c1nc2ccccn2c1NC(=O)c1cccc(O)c1[O-] ZINC001156663238 1089629603 /nfs/dbraw/zinc/62/96/03/1089629603.db2.gz JOUDVPVOPMPZSR-UHFFFAOYSA-N -1 3 311.341 3.121 20 10 DGCDHM Cc1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724891 1090088671 /nfs/dbraw/zinc/08/86/71/1090088671.db2.gz XRVOOBJOYSKHHC-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@](F)(CO)CC1 ZINC001237077062 1090283503 /nfs/dbraw/zinc/28/35/03/1090283503.db2.gz CDGILANHYWQDMB-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@]1(C)O ZINC001203574472 1090759506 /nfs/dbraw/zinc/75/95/06/1090759506.db2.gz XVWRLBURNRDLRK-OTYXRUKQSA-N -1 3 304.217 3.292 20 10 DGCDHM O=C1OCCN1c1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001204907450 1091060298 /nfs/dbraw/zinc/06/02/98/1091060298.db2.gz HAYIUUVUGKVGEW-UHFFFAOYSA-N -1 3 320.295 3.239 20 10 DGCDHM COCc1csc(C(=O)[N-]c2c3nonc3ccc2Cl)c1 ZINC001128603099 1091071719 /nfs/dbraw/zinc/07/17/19/1091071719.db2.gz CNPHEMHFFQLKIM-UHFFFAOYSA-N -1 3 323.761 3.336 20 10 DGCDHM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)Cc1cccnc1C ZINC001139133824 1091462288 /nfs/dbraw/zinc/46/22/88/1091462288.db2.gz SACBGZJLSZPFIF-UHFFFAOYSA-N -1 3 324.380 3.142 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001139689165 1091643206 /nfs/dbraw/zinc/64/32/06/1091643206.db2.gz DLOYMAKGMFBBOM-CYBMUJFWSA-N -1 3 323.314 3.463 20 10 DGCDHM CN(Cc1c(F)ccc(F)c1[O-])C[C@@H]1Cc2ccccc2O1 ZINC001139690122 1091643778 /nfs/dbraw/zinc/64/37/78/1091643778.db2.gz PLSQMKDKEIKKJY-LBPRGKRZSA-N -1 3 305.324 3.106 20 10 DGCDHM O=C1C[C@H]2CCC[C@@H](C1)N2Cc1c([O-])cccc1Br ZINC001140101302 1091768687 /nfs/dbraw/zinc/76/86/87/1091768687.db2.gz QRBBOCXTILSJQD-PHIMTYICSA-N -1 3 324.218 3.241 20 10 DGCDHM Cc1cccc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC001140339965 1091832995 /nfs/dbraw/zinc/83/29/95/1091832995.db2.gz QBCROWSOZUEVSQ-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM [O-]c1c(Cl)cccc1CNc1ccncc1C(F)(F)F ZINC001307229652 1091847832 /nfs/dbraw/zinc/84/78/32/1091847832.db2.gz LHJKAOSIYFYXBM-UHFFFAOYSA-N -1 3 302.683 3.493 20 10 DGCDHM CC[N@H+](Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1[O-] ZINC001140496356 1091889721 /nfs/dbraw/zinc/88/97/21/1091889721.db2.gz BXVFTUWUNXYDLH-UHFFFAOYSA-N -1 3 302.374 3.057 20 10 DGCDHM CC[N@@H+](Cc1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1[O-] ZINC001140496356 1091889729 /nfs/dbraw/zinc/88/97/29/1091889729.db2.gz BXVFTUWUNXYDLH-UHFFFAOYSA-N -1 3 302.374 3.057 20 10 DGCDHM CC(C)(O)CN(Cc1ccccc1)Cc1c([O-])cc(F)cc1F ZINC001140584343 1091920464 /nfs/dbraw/zinc/92/04/64/1091920464.db2.gz NUPUCKCEWRZQCL-UHFFFAOYSA-N -1 3 321.367 3.444 20 10 DGCDHM Cc1ccnn1C1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140585994 1091921833 /nfs/dbraw/zinc/92/18/33/1091921833.db2.gz YXOVLPLSDUXXBC-UHFFFAOYSA-N -1 3 307.344 3.012 20 10 DGCDHM Cc1cccnc1O[C@H]1CCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140585963 1091921923 /nfs/dbraw/zinc/92/19/23/1091921923.db2.gz XLKNDZUHKDSDHJ-ZDUSSCGKSA-N -1 3 320.339 3.027 20 10 DGCDHM C[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001207434162 1091966311 /nfs/dbraw/zinc/96/63/11/1091966311.db2.gz UYECWLQTQIEYGU-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC(Oc2ccncc2)CC1 ZINC001142508922 1092492280 /nfs/dbraw/zinc/49/22/80/1092492280.db2.gz PYSLBEXRQZLVHC-UHFFFAOYSA-N -1 3 320.339 3.109 20 10 DGCDHM CC(C)N(Cc1ccccc1F)C(=O)c1cccc(O)c1[O-] ZINC001142574979 1092506180 /nfs/dbraw/zinc/50/61/80/1092506180.db2.gz XLZFSSWZUWGTCD-UHFFFAOYSA-N -1 3 303.333 3.288 20 10 DGCDHM O=C([O-])c1cc(Cl)ccc1CN1CCc2cccc(O)c2C1 ZINC001142663956 1092521902 /nfs/dbraw/zinc/52/19/02/1092521902.db2.gz XWBMLJICVPKOLA-UHFFFAOYSA-N -1 3 317.772 3.302 20 10 DGCDHM C[N@H+](Cc1ccccc1[O-])Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142663979 1092522765 /nfs/dbraw/zinc/52/27/65/1092522765.db2.gz YNOZQEVJQFDNOP-UHFFFAOYSA-N -1 3 305.761 3.376 20 10 DGCDHM C[N@@H+](Cc1ccccc1[O-])Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142663979 1092522777 /nfs/dbraw/zinc/52/27/77/1092522777.db2.gz YNOZQEVJQFDNOP-UHFFFAOYSA-N -1 3 305.761 3.376 20 10 DGCDHM Cc1ccc(CNC(=O)c2cccc(O)c2[O-])c(OC(C)C)c1 ZINC001149713180 1092725298 /nfs/dbraw/zinc/72/52/98/1092725298.db2.gz BGISACPBHNLSIU-UHFFFAOYSA-N -1 3 315.369 3.123 20 10 DGCDHM COc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)cc1Cl ZINC001215146070 1093927252 /nfs/dbraw/zinc/92/72/52/1093927252.db2.gz ZYEVUJHDICPEIN-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001215145984 1093927384 /nfs/dbraw/zinc/92/73/84/1093927384.db2.gz VNGVKTHLTKDHGC-UHFFFAOYSA-N -1 3 323.352 3.415 20 10 DGCDHM Cc1cc(F)c(F)c(-c2noc(-c3ccc(O)c(O)c3[O-])n2)c1 ZINC001215325368 1093960305 /nfs/dbraw/zinc/96/03/05/1093960305.db2.gz OROLLMGVZAZVJK-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3cccc4cnccc43)no2)cc1O ZINC001215327541 1093961631 /nfs/dbraw/zinc/96/16/31/1093961631.db2.gz HCKSXEALAGBPBO-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM CCc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)ccc1F ZINC001215327869 1093961879 /nfs/dbraw/zinc/96/18/79/1093961879.db2.gz XRKGTQBPDKKKOF-UHFFFAOYSA-N -1 3 316.288 3.222 20 10 DGCDHM Cc1ccc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)c(F)c1F ZINC001215327443 1093961894 /nfs/dbraw/zinc/96/18/94/1093961894.db2.gz BBMQQEREZWZSTJ-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])[C@@H](CC)CO1 ZINC000403837168 1094187488 /nfs/dbraw/zinc/18/74/88/1094187488.db2.gz CAEWWYBDAOAVNB-LSDHHAIUSA-N -1 3 309.381 3.123 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCN(CC(C)C)CC2)c1[O-] ZINC000315285696 1095098932 /nfs/dbraw/zinc/09/89/32/1095098932.db2.gz CNINNEAETDVMLN-UHFFFAOYSA-N -1 3 324.852 3.022 20 10 DGCDHM C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1[O-] ZINC000316072255 1095155690 /nfs/dbraw/zinc/15/56/90/1095155690.db2.gz HPTQYJHBTKGKFX-SECBINFHSA-N -1 3 302.305 3.035 20 10 DGCDHM CC[C@H](Cc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001221725013 1095333672 /nfs/dbraw/zinc/33/36/72/1095333672.db2.gz AGVDHAMYWOBQCY-CQSZACIVSA-N -1 3 316.376 3.352 20 10 DGCDHM Cc1nc2cc(Cl)c(NC(=O)c3cccc(O)c3[O-])cc2o1 ZINC001148219385 1096327987 /nfs/dbraw/zinc/32/79/87/1096327987.db2.gz XFRICMGMLDCCHN-UHFFFAOYSA-N -1 3 318.716 3.453 20 10 DGCDHM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(O)c([O-])c(O)c1 ZINC001148586544 1096407089 /nfs/dbraw/zinc/40/70/89/1096407089.db2.gz RUQVFPXPJKCRHE-UHFFFAOYSA-N -1 3 303.289 3.072 20 10 DGCDHM O=C1c2cccc(O[C@@H]3C=CCC3)c2C(=O)c2cccc([O-])c21 ZINC001229192586 1097274569 /nfs/dbraw/zinc/27/45/69/1097274569.db2.gz PBGCLSFMDJDMHF-LLVKDONJSA-N -1 3 306.317 3.265 20 10 DGCDHM C[C@H]1C[C@H](CNC(=O)NCc2c([O-])cccc2F)C[C@@H](C)C1 ZINC001230793590 1097588721 /nfs/dbraw/zinc/58/87/21/1097588721.db2.gz PNNIFFHBWZBGJZ-ITGUQSILSA-N -1 3 308.397 3.403 20 10 DGCDHM C[N@H+](CCc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563450 1097779257 /nfs/dbraw/zinc/77/92/57/1097779257.db2.gz ADFGKXXNJSAMQF-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563450 1097779259 /nfs/dbraw/zinc/77/92/59/1097779259.db2.gz ADFGKXXNJSAMQF-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@H+](CCc1ccccc1Cl)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563530 1097779457 /nfs/dbraw/zinc/77/94/57/1097779457.db2.gz CCGJBZODAVVFED-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM C[N@@H+](CCc1ccccc1Cl)Cc1cc(C(=O)[O-])ccc1[O-] ZINC001231563530 1097779460 /nfs/dbraw/zinc/77/94/60/1097779460.db2.gz CCGJBZODAVVFED-UHFFFAOYSA-N -1 3 319.788 3.418 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001231565408 1097780188 /nfs/dbraw/zinc/78/01/88/1097780188.db2.gz VBRIUGRAOXLRAW-OAHLLOKOSA-N -1 3 311.381 3.155 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001231565408 1097780193 /nfs/dbraw/zinc/78/01/93/1097780193.db2.gz VBRIUGRAOXLRAW-OAHLLOKOSA-N -1 3 311.381 3.155 20 10 DGCDHM [O-]c1c(CN2CC(F)(F)CC[C@@H]2CO)ccc2ccccc12 ZINC001231879976 1097876909 /nfs/dbraw/zinc/87/69/09/1097876909.db2.gz YVQGXBNNXFPRSR-CQSZACIVSA-N -1 3 307.340 3.137 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001231910972 1097890189 /nfs/dbraw/zinc/89/01/89/1097890189.db2.gz XGMJPDIJWFDYSV-ZYHUDNBSSA-N -1 3 323.742 3.181 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001231914492 1097892164 /nfs/dbraw/zinc/89/21/64/1097892164.db2.gz MWHUFHPNORWRLP-UHFFFAOYSA-N -1 3 319.788 3.405 20 10 DGCDHM COc1cc([O-])c(CN2CC(C)(C)C2)cc1Br ZINC001233135526 1098235643 /nfs/dbraw/zinc/23/56/43/1098235643.db2.gz UCVQHZVZUZAKRL-UHFFFAOYSA-N -1 3 300.196 3.005 20 10 DGCDHM [O-]c1c(CN2CC[C@H]3CCCO[C@H]3C2)cccc1C(F)(F)F ZINC001233416687 1098323629 /nfs/dbraw/zinc/32/36/29/1098323629.db2.gz RMTGKKCSBNKSGE-RISCZKNCSA-N -1 3 315.335 3.412 20 10 DGCDHM CC(C)[C@@H]1COCCN1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418798 1098324332 /nfs/dbraw/zinc/32/43/32/1098324332.db2.gz WXTBGTGALJWUKB-ZDUSSCGKSA-N -1 3 303.324 3.268 20 10 DGCDHM COC(=O)[C@H](C(C)C)N(C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454634 1098341062 /nfs/dbraw/zinc/34/10/62/1098341062.db2.gz CSZYQUJSFNQKPE-ZDUSSCGKSA-N -1 3 319.323 3.040 20 10 DGCDHM CCN(Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(F)c1[O-] ZINC001180505001 1099447792 /nfs/dbraw/zinc/44/77/92/1099447792.db2.gz CGUDJFJSZQXFIJ-UHFFFAOYSA-N -1 3 321.323 3.421 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](c2ccccn2)C1 ZINC001203663680 1099539685 /nfs/dbraw/zinc/53/96/85/1099539685.db2.gz DBZISAZNOGKYDM-INIZCTEOSA-N -1 3 304.777 3.014 20 10 DGCDHM CC(C)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236792552 1099787220 /nfs/dbraw/zinc/78/72/20/1099787220.db2.gz FACSGNCTMOUAOZ-UHFFFAOYSA-N -1 3 303.233 3.225 20 10 DGCDHM CCN(Cc1ccccn1)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236812469 1099802819 /nfs/dbraw/zinc/80/28/19/1099802819.db2.gz WSPRBAUTEXYUFQ-UHFFFAOYSA-N -1 3 306.793 3.471 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)CC[C@]1(C)O ZINC001237078097 1099959517 /nfs/dbraw/zinc/95/95/17/1099959517.db2.gz NSPZCTIWJMDGPA-OTYXRUKQSA-N -1 3 304.217 3.292 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(CC2CC2)CC1 ZINC001237082989 1099961189 /nfs/dbraw/zinc/96/11/89/1099961189.db2.gz VESYSSZEBQHLRJ-UHFFFAOYSA-N -1 3 315.244 3.227 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@H](Oc2cccnc2)C1 ZINC001237124493 1099984272 /nfs/dbraw/zinc/98/42/72/1099984272.db2.gz MOWHFNROFHXRGJ-GFCCVEGCSA-N -1 3 322.767 3.233 20 10 DGCDHM [O-]c1cc(Cl)c(F)cc1CN1CCC(n2cccn2)CC1 ZINC001237950447 1100300688 /nfs/dbraw/zinc/30/06/88/1100300688.db2.gz UHGCJBHJYFPNKF-UHFFFAOYSA-N -1 3 309.772 3.218 20 10 DGCDHM Cc1cc(Cl)ccc1NC(=S)NCc1ncccc1[O-] ZINC001248437997 1105113531 /nfs/dbraw/zinc/11/35/31/1105113531.db2.gz FECAADVFTCVDOL-UHFFFAOYSA-N -1 3 307.806 3.236 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CCC(=O)[C@H](F)C2)cc1Cl ZINC001248883914 1105186688 /nfs/dbraw/zinc/18/66/88/1105186688.db2.gz RUHWJTOJBAJPGU-CYBMUJFWSA-N -1 3 313.800 3.456 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc([C@@H]3C[C@H]3c3ccccc3)o2)cc1O ZINC001254512028 1106087695 /nfs/dbraw/zinc/08/76/95/1106087695.db2.gz FHOUBSCHXSXEDJ-NWDGAFQWSA-N -1 3 310.309 3.125 20 10 DGCDHM C[C@@H](Nc1cnn(Cc2cccnc2)c1)c1ccc(F)cc1[O-] ZINC001320424189 1107002013 /nfs/dbraw/zinc/00/20/13/1107002013.db2.gz GJHZLONCJQREIQ-GFCCVEGCSA-N -1 3 312.348 3.344 20 10 DGCDHM O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc([O-])c(F)c1 ZINC001259241161 1107103836 /nfs/dbraw/zinc/10/38/36/1107103836.db2.gz YUIFPRPDPNUGGT-UHFFFAOYSA-N -1 3 315.753 3.127 20 10 DGCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])[C@H](C)CO1 ZINC000701194743 1108903357 /nfs/dbraw/zinc/90/33/57/1108903357.db2.gz WJGYQVMVLJUBST-ZWNOBZJWSA-N -1 3 314.223 3.154 20 10 DGCDHM CCCOc1ccc(CN(CCOC)CC(F)(F)F)c([O-])c1 ZINC000092645858 185330930 /nfs/dbraw/zinc/33/09/30/185330930.db2.gz YJHDUVRKNFTUOP-UHFFFAOYSA-N -1 3 321.339 3.192 20 10 DGCDHM CC(C)C(=O)NC[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179931209 432074397 /nfs/dbraw/zinc/07/43/97/432074397.db2.gz YYRLBKCNCQUNCQ-CYBMUJFWSA-N -1 3 324.852 3.030 20 10 DGCDHM C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1ccc(F)c(F)c1[O-] ZINC000282552668 299383736 /nfs/dbraw/zinc/38/37/36/299383736.db2.gz XIZHIDGLKOVDGZ-TVQRCGJNSA-N -1 3 307.344 3.132 20 10 DGCDHM Cc1cc(CN(C)Cc2cc(Br)ccc2[O-])no1 ZINC000092254054 193181629 /nfs/dbraw/zinc/18/16/29/193181629.db2.gz URPLHRMQGKPMDQ-UHFFFAOYSA-N -1 3 311.179 3.083 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2cccnc2)c1[O-] ZINC000093226829 193219210 /nfs/dbraw/zinc/21/92/10/193219210.db2.gz NTNJAHXWOSIJNF-LLVKDONJSA-N -1 3 302.349 3.322 20 10 DGCDHM C[C@@H](N[C@H](C)c1cc(Cl)c(Cl)cc1[O-])c1nncn1C ZINC000278664973 296158567 /nfs/dbraw/zinc/15/85/67/296158567.db2.gz IXRGPURGAWVBAL-HTQZYQBOSA-N -1 3 315.204 3.239 20 10 DGCDHM C[C@@H](NCc1nnc2n1CCCC2)c1ccc2ccccc2c1[O-] ZINC000183845624 533474354 /nfs/dbraw/zinc/47/43/54/533474354.db2.gz FFFQKBUUTBGKCN-CYBMUJFWSA-N -1 3 322.412 3.324 20 10 DGCDHM Cc1ccnc(OC2CCN(Cc3cccc(F)c3[O-])CC2)c1 ZINC000272954978 130077780 /nfs/dbraw/zinc/07/77/80/130077780.db2.gz ORBCQZRLHHNBCK-UHFFFAOYSA-N -1 3 316.376 3.278 20 10 DGCDHM COc1cccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273428430 130120822 /nfs/dbraw/zinc/12/08/22/130120822.db2.gz VBGWUDKOCFUYMC-LLVKDONJSA-N -1 3 302.330 3.160 20 10 DGCDHM O=C1OCC[C@]12CCCN2Cc1cc(-c2ccccc2)ccc1[O-] ZINC000275155241 130296298 /nfs/dbraw/zinc/29/62/98/130296298.db2.gz VJZINCXWTMFZQT-HXUWFJFHSA-N -1 3 323.392 3.341 20 10 DGCDHM CCc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278559868 130702317 /nfs/dbraw/zinc/70/23/17/130702317.db2.gz BATNKTVNWGTHJV-UHFFFAOYSA-N -1 3 302.330 3.484 20 10 DGCDHM Cc1cc(CN[C@H](C)c2ccc(Br)cc2[O-])n(C)n1 ZINC000284263372 131065367 /nfs/dbraw/zinc/06/53/67/131065367.db2.gz JAAWYFWETMXJDD-SNVBAGLBSA-N -1 3 324.222 3.047 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000246911015 432180095 /nfs/dbraw/zinc/18/00/95/432180095.db2.gz VWXZSFORUWKEPP-LRDDRELGSA-N -1 3 323.820 3.249 20 10 DGCDHM CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1ccccc1[O-] ZINC000111235743 431200748 /nfs/dbraw/zinc/20/07/48/431200748.db2.gz OXQRNJPSUHQNAC-UHFFFAOYSA-N -1 3 313.332 3.213 20 10 DGCDHM Cc1noc(C)c1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070975947 431265368 /nfs/dbraw/zinc/26/53/68/431265368.db2.gz VHFHHIVDCDEVJA-INIZCTEOSA-N -1 3 316.401 3.178 20 10 DGCDHM C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N(C)Cc1ccccc1[O-] ZINC000121142900 431746480 /nfs/dbraw/zinc/74/64/80/431746480.db2.gz CNAHBKXCZZYZET-QLFBSQMISA-N -1 3 304.434 3.002 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cccn2C)c1[O-] ZINC000079395876 431721430 /nfs/dbraw/zinc/72/14/30/431721430.db2.gz VDJXZEDHVMBCLH-QGZVFWFLSA-N -1 3 316.376 3.410 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC2(CC1)OCCO2 ZINC000126104257 431942817 /nfs/dbraw/zinc/94/28/17/431942817.db2.gz HKVJRONMHKDAQA-UHFFFAOYSA-N -1 3 318.200 3.038 20 10 DGCDHM CC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])[C@H](C)C1 ZINC000271173738 432342711 /nfs/dbraw/zinc/34/27/11/432342711.db2.gz IRRZOYMYPLZWHQ-OAHLLOKOSA-N -1 3 324.424 3.112 20 10 DGCDHM C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000184982548 432453151 /nfs/dbraw/zinc/45/31/51/432453151.db2.gz BYBJDIFMPNMKNL-KCJUWKMLSA-N -1 3 317.216 3.018 20 10 DGCDHM CCc1cnc(CN(C)Cc2cc(F)cc(C(C)=O)c2[O-])s1 ZINC000175788810 432464589 /nfs/dbraw/zinc/46/45/89/432464589.db2.gz QNXXYBFZBIZYNI-UHFFFAOYSA-N -1 3 322.405 3.385 20 10 DGCDHM Cc1ccc(C[C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cc1 ZINC000185651206 432519573 /nfs/dbraw/zinc/51/95/73/432519573.db2.gz KOOYJTJDQBAIED-OAHLLOKOSA-N -1 3 311.381 3.254 20 10 DGCDHM Cc1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)c([O-])c1O ZINC000177667052 432648560 /nfs/dbraw/zinc/64/85/60/432648560.db2.gz ZDBSOZGLJQAJKZ-HNNXBMFYSA-N -1 3 311.381 3.254 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccc(OC2COC2)cc1 ZINC000275899800 432757814 /nfs/dbraw/zinc/75/78/14/432757814.db2.gz ZHQSNSKQFXIBSV-UHFFFAOYSA-N -1 3 305.761 3.435 20 10 DGCDHM CCCN(Cc1nncn1-c1ccccc1)Cc1ccccc1[O-] ZINC000277626536 432864905 /nfs/dbraw/zinc/86/49/05/432864905.db2.gz GQNPOUXVEAAJHB-UHFFFAOYSA-N -1 3 322.412 3.385 20 10 DGCDHM COc1c([O-])c(CN[C@@H]2CCCc3occc32)ccc1[N+](=O)[O-] ZINC000278616862 432897958 /nfs/dbraw/zinc/89/79/58/432897958.db2.gz FMAAJQKUCCNTNY-GFCCVEGCSA-N -1 3 318.329 3.069 20 10 DGCDHM CCOc1cccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278922808 432917622 /nfs/dbraw/zinc/91/76/22/432917622.db2.gz VAVHHOJCDIFJIG-UHFFFAOYSA-N -1 3 318.329 3.320 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000289721580 432973471 /nfs/dbraw/zinc/97/34/71/432973471.db2.gz JRAFFRCNDZSJDC-WBVHZDCISA-N -1 3 321.392 3.123 20 10 DGCDHM [O-]c1ccc(-c2ccccc2)cc1CN(CCO)CC(F)F ZINC000279637058 432989459 /nfs/dbraw/zinc/98/94/59/432989459.db2.gz CPBPBFNWFVDTOG-UHFFFAOYSA-N -1 3 307.340 3.119 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290906599 433202871 /nfs/dbraw/zinc/20/28/71/433202871.db2.gz MQSLDRQAUJSCRK-GFCCVEGCSA-N -1 3 312.200 3.343 20 10 DGCDHM C[C@@H]1CCN(C(=O)/C=C/c2cncs2)c2c([O-])cccc21 ZINC000282480230 433613785 /nfs/dbraw/zinc/61/37/85/433613785.db2.gz WUGONQKMYOEDRX-MVIFTORASA-N -1 3 300.383 3.402 20 10 DGCDHM C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000282658905 433621463 /nfs/dbraw/zinc/62/14/63/433621463.db2.gz IILIVWABXZNPCI-JTQLQIEISA-N -1 3 308.813 3.243 20 10 DGCDHM CCC[C@@]1(CO)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293938237 433933438 /nfs/dbraw/zinc/93/34/38/433933438.db2.gz OAJTWNRIKNIRQR-OAHLLOKOSA-N -1 3 301.789 3.169 20 10 DGCDHM Cc1cc(C)c([C@H](C)NCc2ncn(-c3ccccc3)n2)c([O-])c1 ZINC000295026586 434160112 /nfs/dbraw/zinc/16/01/12/434160112.db2.gz OCVOXCOOTIRNDF-HNNXBMFYSA-N -1 3 322.412 3.441 20 10 DGCDHM Cc1ccc(C(=O)N2CC3(CCC3)c3ccccc32)c([O-])c1O ZINC000364473164 434274334 /nfs/dbraw/zinc/27/43/34/434274334.db2.gz QMOHCJWPYXFKHP-UHFFFAOYSA-N -1 3 309.365 3.488 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2cccc(F)c2)CC1 ZINC000365877311 434313721 /nfs/dbraw/zinc/31/37/21/434313721.db2.gz MULPCSDMAIPCMY-UHFFFAOYSA-N -1 3 315.344 3.257 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000295374511 434331185 /nfs/dbraw/zinc/33/11/85/434331185.db2.gz OPOCFXSGHRVVQA-SNVBAGLBSA-N -1 3 309.772 3.287 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC2(CCO2)CC1 ZINC000368520681 434578608 /nfs/dbraw/zinc/57/86/08/434578608.db2.gz XNSJHQFUVWUHJJ-UHFFFAOYSA-N -1 3 302.201 3.454 20 10 DGCDHM C[C@H](N[C@H]1CN(C)Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000370372912 434611198 /nfs/dbraw/zinc/61/11/98/434611198.db2.gz GDHOZIJDSWMHQU-SJCJKPOMSA-N -1 3 300.377 3.369 20 10 DGCDHM Cn1nccc1[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000372812800 434856157 /nfs/dbraw/zinc/85/61/57/434856157.db2.gz CCTFYDNWOBIGLJ-LLVKDONJSA-N -1 3 323.799 3.298 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCC(F)(F)C[C@@H]2C)c1[O-] ZINC000528769776 435028987 /nfs/dbraw/zinc/02/89/87/435028987.db2.gz SRDXWEYTLKDFAW-VIFPVBQESA-N -1 3 301.308 3.354 20 10 DGCDHM COc1cc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)ccc1O ZINC000295211899 335131074 /nfs/dbraw/zinc/13/10/74/335131074.db2.gz PIYQFNIMZPBCIM-UHFFFAOYSA-N -1 3 319.382 3.079 20 10 DGCDHM CCOC(=O)[C@H](NCc1ccccc1[O-])c1cccc(C)c1C ZINC000189664179 521270746 /nfs/dbraw/zinc/27/07/46/521270746.db2.gz ZCLSOMVMZOTUJC-GOSISDBHSA-N -1 3 313.397 3.403 20 10 DGCDHM C[C@H](c1ccccc1)N(Cc1ccccc1[O-])CC1OCCO1 ZINC000180217739 526094378 /nfs/dbraw/zinc/09/43/78/526094378.db2.gz RPKJHQDOBZBAJH-OAHLLOKOSA-N -1 3 313.397 3.328 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H]2OCC[C@H]2C1 ZINC000365938755 526324073 /nfs/dbraw/zinc/32/40/73/526324073.db2.gz XVJXSKKRGZQDSS-TVQRCGJNSA-N -1 3 302.201 3.310 20 10 DGCDHM Cc1csc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)n1 ZINC000126956132 526342436 /nfs/dbraw/zinc/34/24/36/526342436.db2.gz LQWXQZIPFDTJKS-HNNXBMFYSA-N -1 3 318.442 3.338 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cnn(CC(F)(F)F)c1 ZINC000124796479 526365274 /nfs/dbraw/zinc/36/52/74/526365274.db2.gz JSVBDNPPXGFHDH-UHFFFAOYSA-N -1 3 305.687 3.417 20 10 DGCDHM CCOC[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177366577 528939554 /nfs/dbraw/zinc/93/95/54/528939554.db2.gz AURBIDNSBAUCID-GFCCVEGCSA-N -1 3 311.809 3.107 20 10 DGCDHM O=C(Nc1nc(-c2cccnc2)cs1)c1cc([O-])cs1 ZINC000731865014 574560653 /nfs/dbraw/zinc/56/06/53/574560653.db2.gz HZPYYVAWPIRCNQ-UHFFFAOYSA-N -1 3 303.368 3.225 20 10 DGCDHM Cc1cc(C(=O)COC(=O)c2cc([O-])cs2)c(C)n1C1CC1 ZINC000731910980 574561760 /nfs/dbraw/zinc/56/17/60/574561760.db2.gz YEQKUGLUPUUPQI-UHFFFAOYSA-N -1 3 319.382 3.247 20 10 DGCDHM Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)cc1F ZINC000731910251 574561921 /nfs/dbraw/zinc/56/19/21/574561921.db2.gz QGNNVPFGKUOYPM-VIFPVBQESA-N -1 3 323.345 3.085 20 10 DGCDHM Cc1ncc(CN(Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000732202552 574567831 /nfs/dbraw/zinc/56/78/31/574567831.db2.gz WEAKGRYINVQGNX-UHFFFAOYSA-N -1 3 309.369 3.286 20 10 DGCDHM Cc1ccccc1OCCCN(C)C(=O)c1cc([O-])cs1 ZINC000732274338 574570053 /nfs/dbraw/zinc/57/00/53/574570053.db2.gz GAHPCWPLDRSKMU-UHFFFAOYSA-N -1 3 305.399 3.303 20 10 DGCDHM CCCN1Cc2cccc(NC(=O)c3cc([O-])cs3)c2C1 ZINC000732283797 574570476 /nfs/dbraw/zinc/57/04/76/574570476.db2.gz DTSGGKNPSTUJRH-UHFFFAOYSA-N -1 3 302.399 3.432 20 10 DGCDHM CCc1cccc(C)c1NC(=O)COC(=O)c1cc([O-])cs1 ZINC000732353719 574572096 /nfs/dbraw/zinc/57/20/96/574572096.db2.gz SSWJELFSBUPJGY-UHFFFAOYSA-N -1 3 319.382 3.120 20 10 DGCDHM Cc1nc2ccccc2nc1COC(=O)c1cc([O-])cs1 ZINC000732352958 574572276 /nfs/dbraw/zinc/57/22/76/574572276.db2.gz AOPULBUHWQJAED-UHFFFAOYSA-N -1 3 300.339 3.062 20 10 DGCDHM CN(C)C(=O)Sc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000733365277 574617896 /nfs/dbraw/zinc/61/78/96/574617896.db2.gz YAQCNHSSCAKIHW-UHFFFAOYSA-N -1 3 322.411 3.480 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000736723868 574804065 /nfs/dbraw/zinc/80/40/65/574804065.db2.gz BKILABHFKKRACS-LBPRGKRZSA-N -1 3 305.374 3.298 20 10 DGCDHM CCO[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C12CCCCC2 ZINC000748339395 575581741 /nfs/dbraw/zinc/58/17/41/575581741.db2.gz NKVDHRUSEKSYFL-KGLIPLIRSA-N -1 3 309.431 3.311 20 10 DGCDHM CCc1ccc([O-])c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000748837183 575611003 /nfs/dbraw/zinc/61/10/03/575611003.db2.gz FMPKSAVGVAAZOI-UHFFFAOYSA-N -1 3 324.424 3.485 20 10 DGCDHM CC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(OC)cc1 ZINC000751530581 575788974 /nfs/dbraw/zinc/78/89/74/575788974.db2.gz OUXHKOHIVSNJOU-HNNXBMFYSA-N -1 3 315.369 3.296 20 10 DGCDHM CCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000751533443 575789460 /nfs/dbraw/zinc/78/94/60/575789460.db2.gz NYJOKNJXXNOVJT-GFCCVEGCSA-N -1 3 315.369 3.296 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(N(C)C)cc2C)c([O-])c1O ZINC000751533278 575789604 /nfs/dbraw/zinc/78/96/04/575789604.db2.gz MFRBIHPVOIZUTN-UHFFFAOYSA-N -1 3 300.358 3.033 20 10 DGCDHM Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c([O-])c1O ZINC000751535693 575789640 /nfs/dbraw/zinc/78/96/40/575789640.db2.gz SWFRCUPMBNIRLY-UHFFFAOYSA-N -1 3 315.344 3.007 20 10 DGCDHM CCOc1ccc(CNCc2csc([C@@H](C)OC)n2)c([O-])c1 ZINC000752265510 575829884 /nfs/dbraw/zinc/82/98/84/575829884.db2.gz JCOQEGRGGLEUHV-LLVKDONJSA-N -1 3 322.430 3.245 20 10 DGCDHM CCc1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1[O-] ZINC000748009641 576058332 /nfs/dbraw/zinc/05/83/32/576058332.db2.gz UNONXAHYUBGIMU-UHFFFAOYSA-N -1 3 312.413 3.293 20 10 DGCDHM CCC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccn1 ZINC000916788662 620645607 /nfs/dbraw/zinc/64/56/07/620645607.db2.gz YPINMGFVQTUTJA-HNNXBMFYSA-N -1 3 317.364 3.267 20 10 DGCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C)cc1[O-] ZINC000154200192 620646946 /nfs/dbraw/zinc/64/69/46/620646946.db2.gz HPHJXSMELNBQNP-UHFFFAOYSA-N -1 3 312.413 3.429 20 10 DGCDHM Cc1csc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000133864979 618032592 /nfs/dbraw/zinc/03/25/92/618032592.db2.gz LZYGFTZHYVFVAA-UHFFFAOYSA-N -1 3 323.849 3.133 20 10 DGCDHM C[C@H]1[C@H](C)N(Cc2cc(Cl)cc(Cl)c2[O-])CCN1C ZINC000775985867 618520136 /nfs/dbraw/zinc/52/01/36/618520136.db2.gz PJMCRFVZSWVEIK-UWVGGRQHSA-N -1 3 303.233 3.223 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000840958375 618635133 /nfs/dbraw/zinc/63/51/33/618635133.db2.gz QEHOVOQHHRAPAK-IUODEOHRSA-N -1 3 321.779 3.493 20 10 DGCDHM CC(C)OC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000895828048 618834544 /nfs/dbraw/zinc/83/45/44/618834544.db2.gz HOAQXRCSARIKTI-UHFFFAOYSA-N -1 3 311.809 3.209 20 10 DGCDHM CC(C)(C)c1cc2n(n1)CCN(Cc1cc(F)ccc1[O-])C2 ZINC000896942630 618990841 /nfs/dbraw/zinc/99/08/41/618990841.db2.gz IEFLWFMLRKPRMQ-UHFFFAOYSA-N -1 3 303.381 3.041 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccc(F)c1)C1CCC1 ZINC000928664611 619034980 /nfs/dbraw/zinc/03/49/80/619034980.db2.gz BZLYEUAPQXNJTB-UHFFFAOYSA-N -1 3 315.344 3.432 20 10 DGCDHM C[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cncs1 ZINC000897934105 619194555 /nfs/dbraw/zinc/19/45/55/619194555.db2.gz DTFOKJDKKHGKNU-SSDOTTSWSA-N -1 3 313.766 3.261 20 10 DGCDHM O=C(NCCCc1cccs1)NCc1c([O-])cccc1F ZINC000921749328 620944489 /nfs/dbraw/zinc/94/44/89/620944489.db2.gz FKNSWLDYALGIOB-UHFFFAOYSA-N -1 3 308.378 3.025 20 10 DGCDHM C[C@H]1COC(C)(C)CN1Cc1cc(Br)ccc1[O-] ZINC000754156326 621492220 /nfs/dbraw/zinc/49/22/20/621492220.db2.gz PUKXWTWSGNUKRL-JTQLQIEISA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1ccn2cc(CN[C@@H](C)c3cc(F)cc(F)c3[O-])nc2c1 ZINC000756533443 621645408 /nfs/dbraw/zinc/64/54/08/621645408.db2.gz HQJWTJKPMGHDDF-NSHDSACASA-N -1 3 317.339 3.477 20 10 DGCDHM C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711867 621659778 /nfs/dbraw/zinc/65/97/78/621659778.db2.gz MUBOJBPTUODVBV-VFZGTOFNSA-N -1 3 311.303 3.194 20 10 DGCDHM O=C(Nc1ccc(NCc2c([O-])cccc2Cl)cn1)C1CC1 ZINC000119497561 621678981 /nfs/dbraw/zinc/67/89/81/621678981.db2.gz DKDJXJFMYQUCQL-UHFFFAOYSA-N -1 3 317.776 3.401 20 10 DGCDHM CN1CCc2cc(NCc3c([O-])cccc3Cl)ccc2C1=O ZINC000864016954 621727992 /nfs/dbraw/zinc/72/79/92/621727992.db2.gz CYQGALKCEHTJFX-UHFFFAOYSA-N -1 3 316.788 3.286 20 10 DGCDHM CC(C)(C)c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])o1 ZINC000865815081 622000653 /nfs/dbraw/zinc/00/06/53/622000653.db2.gz TUXSRKMZDVAGDT-UHFFFAOYSA-N -1 3 304.346 3.481 20 10 DGCDHM CN(Cc1cc(Cl)ccc1F)C(=O)c1cccc(O)c1[O-] ZINC000765635738 622279014 /nfs/dbraw/zinc/27/90/14/622279014.db2.gz RKOSLLJGAWQYBB-UHFFFAOYSA-N -1 3 309.724 3.163 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cccc(OC)c2F)c1 ZINC000769980444 622585407 /nfs/dbraw/zinc/58/54/07/622585407.db2.gz MCBKBWPCEVBEBB-SNVBAGLBSA-N -1 3 319.332 3.500 20 10 DGCDHM COc1cc(SC)ccc1NC(=O)c1cccc(O)c1[O-] ZINC000773252261 623004970 /nfs/dbraw/zinc/00/49/70/623004970.db2.gz NUBNUDMZFCFQNE-UHFFFAOYSA-N -1 3 305.355 3.081 20 10 DGCDHM CC[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1nccs1 ZINC000775025748 623217546 /nfs/dbraw/zinc/21/75/46/623217546.db2.gz WFNCOTDPSHOVAA-JTQLQIEISA-N -1 3 323.374 3.006 20 10 DGCDHM COc1c([O-])c(CN2C[C@H](C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000775054983 623222083 /nfs/dbraw/zinc/22/20/83/623222083.db2.gz DOTFNSLTOMMRRW-NSHDSACASA-N -1 3 314.341 3.433 20 10 DGCDHM COc1c([O-])c(CN(C)c2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000775057824 623222952 /nfs/dbraw/zinc/22/29/52/623222952.db2.gz TVTZSFXCFOCDMX-UHFFFAOYSA-N -1 3 302.330 3.254 20 10 DGCDHM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cccc(Cl)c1[O-] ZINC000775720273 623318191 /nfs/dbraw/zinc/31/81/91/623318191.db2.gz KPMKHXMBXUQURR-HUUCEWRRSA-N -1 3 324.852 3.267 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOCC3(CCCC3)C2)c1[O-] ZINC000775850270 623341438 /nfs/dbraw/zinc/34/14/38/623341438.db2.gz VIOZRZGATHHQEL-UHFFFAOYSA-N -1 3 321.392 3.127 20 10 DGCDHM Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1N1CCCC1 ZINC000874944258 623399344 /nfs/dbraw/zinc/39/93/44/623399344.db2.gz YSUYGKYZHKACDU-UHFFFAOYSA-N -1 3 312.369 3.259 20 10 DGCDHM O=C(NCCc1ccc2ccccc2c1)c1cccc(O)c1[O-] ZINC000776333175 623412840 /nfs/dbraw/zinc/41/28/40/623412840.db2.gz MNQGOMUEEXJTFF-UHFFFAOYSA-N -1 3 307.349 3.224 20 10 DGCDHM O=C(N[C@H](c1ccccc1)C(F)(F)F)c1cccc(O)c1[O-] ZINC000776350095 623414869 /nfs/dbraw/zinc/41/48/69/623414869.db2.gz IFZZLTBJQXBZRZ-CYBMUJFWSA-N -1 3 311.259 3.131 20 10 DGCDHM COc1ccc([C@@H](NC(=O)c2cccc(O)c2[O-])C(C)C)cc1 ZINC000776612502 623447222 /nfs/dbraw/zinc/44/72/22/623447222.db2.gz CVNDUCOKAFZMMY-INIZCTEOSA-N -1 3 315.369 3.234 20 10 DGCDHM O=C(NCC1(c2ccc(Cl)cc2)CC1)c1cccc(O)c1[O-] ZINC000776645692 623448975 /nfs/dbraw/zinc/44/89/75/623448975.db2.gz QMRCMSZFDLOFPE-UHFFFAOYSA-N -1 3 317.772 3.213 20 10 DGCDHM [O-]c1c(CN[C@H]2CCOc3ccc(F)cc32)ccc(F)c1F ZINC000877008957 623765033 /nfs/dbraw/zinc/76/50/33/623765033.db2.gz ZCHRTMAMYGMQEH-ZDUSSCGKSA-N -1 3 309.287 3.423 20 10 DGCDHM COc1ccccc1C1(NCc2ccc(F)c(F)c2[O-])CC1 ZINC000877605939 623959851 /nfs/dbraw/zinc/95/98/51/623959851.db2.gz XZLKCKZGSRHORA-UHFFFAOYSA-N -1 3 305.324 3.458 20 10 DGCDHM C[C@H](O)[C@H](NCc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877611750 623962376 /nfs/dbraw/zinc/96/23/76/623962376.db2.gz ZAXYVPRNGBDDCP-VFZGTOFNSA-N -1 3 311.303 3.021 20 10 DGCDHM O=C(N[C@H]1C[C@@H]1c1c(F)cccc1Cl)c1cccc(O)c1[O-] ZINC000790767474 625694433 /nfs/dbraw/zinc/69/44/33/625694433.db2.gz LJSCYFBWTYDNJW-CABZTGNLSA-N -1 3 321.735 3.176 20 10 DGCDHM CC(C)n1cc2ccc(NC(=O)c3cccc(O)c3[O-])cc2n1 ZINC000790766751 625694784 /nfs/dbraw/zinc/69/47/84/625694784.db2.gz FBNDDHKQUWIACL-UHFFFAOYSA-N -1 3 311.341 3.281 20 10 DGCDHM COc1cnccc1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783331290 624338277 /nfs/dbraw/zinc/33/82/77/624338277.db2.gz PJKFWSUUGNSRRU-MNOVXSKESA-N -1 3 317.345 3.116 20 10 DGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CC[C@@H]1C(F)(F)F ZINC000791125551 625752962 /nfs/dbraw/zinc/75/29/62/625752962.db2.gz GIZTXFVVDTWLGL-NSHDSACASA-N -1 3 317.307 3.148 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](OC(F)F)C1 ZINC000792174387 625919122 /nfs/dbraw/zinc/91/91/22/625919122.db2.gz UUEUOABRFBZIGP-MRVPVSSYSA-N -1 3 309.715 3.388 20 10 DGCDHM C[C@H](O)[C@@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157494 625946706 /nfs/dbraw/zinc/94/67/06/625946706.db2.gz AEBYVXNUVURICO-BJOHPYRUSA-N -1 3 311.303 3.021 20 10 DGCDHM O=C(N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000792630967 625968646 /nfs/dbraw/zinc/96/86/46/625968646.db2.gz XQKZLKWZFBGWFL-TZMCWYRMSA-N -1 3 315.344 3.303 20 10 DGCDHM CSc1ccccc1[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000799741375 626327082 /nfs/dbraw/zinc/32/70/82/626327082.db2.gz LWFVMFCUNRZOSJ-JTQLQIEISA-N -1 3 303.383 3.311 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C(F)F)c1[O-] ZINC000800445797 626360937 /nfs/dbraw/zinc/36/09/37/626360937.db2.gz YYBATCFMDTYUDD-CYBMUJFWSA-N -1 3 301.308 3.354 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC(C)(C)O1 ZINC000133112943 626766392 /nfs/dbraw/zinc/76/63/92/626766392.db2.gz IXIKTUDKRFRJLJ-SNVBAGLBSA-N -1 3 314.223 3.154 20 10 DGCDHM COC(=O)c1cccc(CNCc2c([O-])ccc(Cl)c2F)c1 ZINC000809729862 626942450 /nfs/dbraw/zinc/94/24/50/626942450.db2.gz QASGTORIYKPPOU-UHFFFAOYSA-N -1 3 323.751 3.261 20 10 DGCDHM CC[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000886801664 627205954 /nfs/dbraw/zinc/20/59/54/627205954.db2.gz QPAGPQJEZANUCE-ZYHUDNBSSA-N -1 3 311.731 3.400 20 10 DGCDHM [O-]c1c(CN2CCO[C@@H](C(F)(F)F)C2)ccc2ccccc21 ZINC000816513780 627798957 /nfs/dbraw/zinc/79/89/57/627798957.db2.gz BKOUKNGAHJGBDK-CQSZACIVSA-N -1 3 311.303 3.309 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCOC[C@H](C2CCC2)C1 ZINC000816616886 627815730 /nfs/dbraw/zinc/81/57/30/627815730.db2.gz IQMUPPGCPWAPBY-CYBMUJFWSA-N -1 3 313.800 3.433 20 10 DGCDHM CC1(C)CN(Cc2cc(F)ccc2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000816643126 627817737 /nfs/dbraw/zinc/81/77/37/627817737.db2.gz WAFLDOGEQBLFTE-AWEZNQCLSA-N -1 3 321.314 3.463 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc3c(c2)CCN3)c1 ZINC000817950663 627972556 /nfs/dbraw/zinc/97/25/56/627972556.db2.gz WAPMCLWPRJZNDO-NSHDSACASA-N -1 3 312.369 3.320 20 10 DGCDHM Cc1cccc(CO[C@H](C)C(=O)NCc2c([O-])cccc2F)c1 ZINC000928709648 628180240 /nfs/dbraw/zinc/18/02/40/628180240.db2.gz KHWMDFIQFWTPCA-CYBMUJFWSA-N -1 3 317.360 3.061 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(C(=O)C(C)(C)C)CC2)cc1Cl ZINC000824555678 628670867 /nfs/dbraw/zinc/67/08/67/628670867.db2.gz HZVISIWOJKUNRN-UHFFFAOYSA-N -1 3 324.852 3.044 20 10 DGCDHM C[C@@H]1C[C@@H](NCc2cccc(Br)c2[O-])c2nccn21 ZINC000825017676 628716777 /nfs/dbraw/zinc/71/67/77/628716777.db2.gz XDBWVJZTRWCUSP-BXKDBHETSA-N -1 3 322.206 3.147 20 10 DGCDHM [O-]c1cc(Br)ccc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000825513249 628770824 /nfs/dbraw/zinc/77/08/24/628770824.db2.gz FIYOBLLDUKRMQK-LBPRGKRZSA-N -1 3 322.206 3.215 20 10 DGCDHM COCC1(C2CCC2)CN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000827011789 628912699 /nfs/dbraw/zinc/91/26/99/628912699.db2.gz OWCCWZLKXCSCSF-UHFFFAOYSA-N -1 3 313.800 3.433 20 10 DGCDHM COc1ccc(O)c([C@@H](C)N[C@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734027 629644081 /nfs/dbraw/zinc/64/40/81/629644081.db2.gz ZTVKOONQUVNROE-HWPZZCPQSA-N -1 3 319.332 3.016 20 10 DGCDHM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835309 629653961 /nfs/dbraw/zinc/65/39/61/629653961.db2.gz XLCQFLQABGDOGM-CHWSQXEVSA-N -1 3 314.385 3.023 20 10 DGCDHM C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000833835309 629653963 /nfs/dbraw/zinc/65/39/63/629653963.db2.gz XLCQFLQABGDOGM-CHWSQXEVSA-N -1 3 314.385 3.023 20 10 DGCDHM C[C@@H](N[C@@H]1CCn2ccnc21)c1cccc(C(F)(F)F)c1[O-] ZINC000834831536 629785796 /nfs/dbraw/zinc/78/57/96/629785796.db2.gz JUXLDMKATUXMNN-BXKDBHETSA-N -1 3 311.307 3.403 20 10 DGCDHM Cc1cc([O-])c(CN(CCCO)Cc2ccccn2)c(Cl)c1 ZINC000840949064 630382729 /nfs/dbraw/zinc/38/27/29/630382729.db2.gz PHYCLZYHEPOPDL-UHFFFAOYSA-N -1 3 320.820 3.134 20 10 DGCDHM O=C([O-])[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843040764 630607208 /nfs/dbraw/zinc/60/72/08/630607208.db2.gz XWPMKPNBVOYKCH-WBVHZDCISA-N -1 3 311.381 3.402 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CC3(F)F)C2)c1[O-] ZINC000844470443 630732919 /nfs/dbraw/zinc/73/29/19/630732919.db2.gz HWTSIFOFJNZXAI-CQSZACIVSA-N -1 3 315.747 3.479 20 10 DGCDHM O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(Cl)ccc1[O-] ZINC000006091806 631507868 /nfs/dbraw/zinc/50/78/68/631507868.db2.gz BMJMDUJTMNZSSA-QHHAFSJGSA-N -1 3 305.717 3.109 20 10 DGCDHM C[C@@H]1CN(Cc2c([O-])cccc2Br)CC(C)(C)O1 ZINC000707150896 660894019 /nfs/dbraw/zinc/89/40/19/660894019.db2.gz VVRJRHCEIVMCBQ-SNVBAGLBSA-N -1 3 314.223 3.154 20 10 DGCDHM Cn1c2ccc(NC(=O)c3cccc(O)c3[O-])cc2nc1C1CC1 ZINC000187212292 660968986 /nfs/dbraw/zinc/96/89/86/660968986.db2.gz YDHNFZSGHUWQQA-UHFFFAOYSA-N -1 3 323.352 3.114 20 10 DGCDHM CC[C@H]1CN(Cc2cccc(Br)c2[O-])CCCO1 ZINC000305961582 655572497 /nfs/dbraw/zinc/57/24/97/655572497.db2.gz PBSHMNPLLZSHCA-LBPRGKRZSA-N -1 3 314.223 3.156 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c([O-])c1O ZINC000177660217 655937942 /nfs/dbraw/zinc/93/79/42/655937942.db2.gz XOBQPCUNBXSJTQ-UHFFFAOYSA-N -1 3 309.268 3.260 20 10 DGCDHM CCCOc1ccccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000177667739 655938834 /nfs/dbraw/zinc/93/88/34/655938834.db2.gz BZYAOFQPNOQTON-UHFFFAOYSA-N -1 3 301.342 3.447 20 10 DGCDHM C[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccc(F)cc1[O-] ZINC000186326163 656131079 /nfs/dbraw/zinc/13/10/79/656131079.db2.gz WHUVOQGLLPOQMC-JTQLQIEISA-N -1 3 316.332 3.060 20 10 DGCDHM COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000179381940 658775223 /nfs/dbraw/zinc/77/52/23/658775223.db2.gz JGIMYAKYQGVEAU-UHFFFAOYSA-N -1 3 307.733 3.321 20 10 DGCDHM C[C@@H](Nc1ccc2c(c1)NC(=O)[C@H](C)O2)c1ccc(F)cc1[O-] ZINC000170789148 659237073 /nfs/dbraw/zinc/23/70/73/659237073.db2.gz NIGUAWNZCTWVJJ-ZJUUUORDSA-N -1 3 316.332 3.424 20 10 DGCDHM Cc1ncc(-c2ccc(NC(=O)c3cccc(O)c3[O-])cc2)o1 ZINC000189022418 661959308 /nfs/dbraw/zinc/95/93/08/661959308.db2.gz RJOOYJJDKTZIAS-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@@H]3COC[C@@H]32)c1[O-] ZINC000385018924 685172653 /nfs/dbraw/zinc/17/26/53/685172653.db2.gz UWBBFLJZHXRONP-CABCVRRESA-N -1 3 323.820 3.105 20 10 DGCDHM COc1cc(CNCc2cc(Cl)cc(Cl)c2[O-])sn1 ZINC000399102352 685239617 /nfs/dbraw/zinc/23/96/17/685239617.db2.gz HZHWFXBITIIWIF-UHFFFAOYSA-N -1 3 319.213 3.454 20 10 DGCDHM Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001592259268 1192605747 /nfs/dbraw/zinc/60/57/47/1192605747.db2.gz KPOBGAYPDFFRNW-OLZOCXBDSA-N -1 3 323.400 3.293 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(ccnc2Cl)o1 ZINC001596917075 1192710890 /nfs/dbraw/zinc/71/08/90/1192710890.db2.gz UXVUOOSVGDBOEK-UHFFFAOYSA-N -1 3 320.707 3.256 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(C1CC1)[C@H]1CCc2ccccc21 ZINC001597795018 1192747834 /nfs/dbraw/zinc/74/78/34/1192747834.db2.gz AGQFFGHCIBFHMX-INIZCTEOSA-N -1 3 309.365 3.390 20 10 DGCDHM Cc1sc([C@H]2CCCN2Cc2ccccc2O)nc1C(=O)[O-] ZINC001600882402 1192908194 /nfs/dbraw/zinc/90/81/94/1192908194.db2.gz DKQPQWHOZUNBJB-GFCCVEGCSA-N -1 3 318.398 3.192 20 10 DGCDHM CCc1nc(C)c(C(=O)[N-]c2c3nonc3ccc2Cl)s1 ZINC001346941828 1179763765 /nfs/dbraw/zinc/76/37/65/1179763765.db2.gz ZNABSAGWOMZPSU-UHFFFAOYSA-N -1 3 322.777 3.456 20 10 DGCDHM C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604325564 1193064702 /nfs/dbraw/zinc/06/47/02/1193064702.db2.gz OSJGAPULICLYIQ-GTNSWQLSSA-N -1 3 312.369 3.287 20 10 DGCDHM C[C@@H]([NH2+][C@H](c1ccncc1)C1CC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604325563 1193064796 /nfs/dbraw/zinc/06/47/96/1193064796.db2.gz OSJGAPULICLYIQ-DIFFPNOSSA-N -1 3 312.369 3.287 20 10 DGCDHM Cc1cc(C(F)(F)F)nc(NCc2c([O-])cccc2F)n1 ZINC001652252062 1195569614 /nfs/dbraw/zinc/56/96/14/1195569614.db2.gz GIALFSQMERBGQH-UHFFFAOYSA-N -1 3 301.243 3.261 20 10 DGCDHM O=C(Nc1nc2ccc(Cl)nc2s1)c1cccc(O)c1[O-] ZINC001448686018 1182212833 /nfs/dbraw/zinc/21/28/33/1182212833.db2.gz UFNACESKIHUOGD-UHFFFAOYSA-N -1 3 321.745 3.008 20 10 DGCDHM COc1cc(C)cc(C(=O)NCc2c([O-])cccc2F)c1C ZINC001456026644 1182393765 /nfs/dbraw/zinc/39/37/65/1182393765.db2.gz BROQFYNHKGFZDJ-UHFFFAOYSA-N -1 3 303.333 3.087 20 10 DGCDHM C[C@H](Cc1cccc(F)c1)C(=O)NCc1c([O-])cccc1F ZINC001456109422 1182398005 /nfs/dbraw/zinc/39/80/05/1182398005.db2.gz YMPLIDZJARHOBH-LLVKDONJSA-N -1 3 305.324 3.165 20 10 DGCDHM Cn1c2ccc(F)cc2nc1NCc1cc(F)cc(F)c1[O-] ZINC001461830762 1182865471 /nfs/dbraw/zinc/86/54/71/1182865471.db2.gz OQXMPKKXDQJBQS-UHFFFAOYSA-N -1 3 307.275 3.308 20 10 DGCDHM COCCn1c2ccccc2nc1NCc1cccc(F)c1[O-] ZINC001462656807 1182980964 /nfs/dbraw/zinc/98/09/64/1182980964.db2.gz RRGZLZRVPJJNIT-UHFFFAOYSA-N -1 3 315.348 3.140 20 10 DGCDHM CCCc1csc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001466061966 1183185582 /nfs/dbraw/zinc/18/55/82/1183185582.db2.gz DXRVFDZPDWWQDN-UHFFFAOYSA-N -1 3 309.366 3.262 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cccc(-n2cccc2)c1 ZINC001471975006 1183604429 /nfs/dbraw/zinc/60/44/29/1183604429.db2.gz OXDJISHBHQIECP-UHFFFAOYSA-N -1 3 310.328 3.252 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNc1ccc(F)c(-c2nnc[nH]2)c1 ZINC001474144782 1183873142 /nfs/dbraw/zinc/87/31/42/1183873142.db2.gz BUHRLLNTSTYNMA-UHFFFAOYSA-N -1 3 320.274 3.207 20 10 DGCDHM CCCNC(=O)CN(CCC)Cc1c([O-])cc(C)cc1Cl ZINC001474363753 1183910701 /nfs/dbraw/zinc/91/07/01/1183910701.db2.gz KXIYTRVYENJTPG-UHFFFAOYSA-N -1 3 312.841 3.092 20 10 DGCDHM CC(C)(CNC(=O)NCc1c([O-])cccc1F)C1=CCCC1 ZINC001478777852 1184175184 /nfs/dbraw/zinc/17/51/84/1184175184.db2.gz NNBLURCSCBAVKA-UHFFFAOYSA-N -1 3 306.381 3.467 20 10 DGCDHM CC(C)N1CCCC[C@@H]1CSc1ncc(C(=O)[O-])s1 ZINC001609706837 1193351110 /nfs/dbraw/zinc/35/11/10/1193351110.db2.gz PLJZDJCTNNTRED-SNVBAGLBSA-N -1 3 300.449 3.196 20 10 DGCDHM C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609755261 1193354644 /nfs/dbraw/zinc/35/46/44/1193354644.db2.gz YTNCTARQIGXANQ-VXGBXAGGSA-N -1 3 315.369 3.078 20 10 DGCDHM C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001610392369 1193385898 /nfs/dbraw/zinc/38/58/98/1193385898.db2.gz JOMPFJRXWAXNGW-CXAGYDPISA-N -1 3 311.381 3.212 20 10 DGCDHM C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC001610392369 1193385900 /nfs/dbraw/zinc/38/59/00/1193385900.db2.gz JOMPFJRXWAXNGW-CXAGYDPISA-N -1 3 311.381 3.212 20 10 DGCDHM Cc1cc(O)c(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1C ZINC001610475915 1193391286 /nfs/dbraw/zinc/39/12/86/1193391286.db2.gz PIXGOGCOIMYTHC-INIZCTEOSA-N -1 3 321.323 3.203 20 10 DGCDHM CC[C@@H](C)Oc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC001558020539 1189099363 /nfs/dbraw/zinc/09/93/63/1189099363.db2.gz PYAQSERXVRIUIS-LLVKDONJSA-N -1 3 316.357 3.231 20 10 DGCDHM CCC(=O)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001558455149 1189126443 /nfs/dbraw/zinc/12/64/43/1189126443.db2.gz QKHVGNHFRQKSDF-UHFFFAOYSA-N -1 3 301.317 3.054 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@]23CCOC3)c1[O-] ZINC001560233163 1189295821 /nfs/dbraw/zinc/29/58/21/1189295821.db2.gz SVLBEPFLFXJSLA-KRWDZBQOSA-N -1 3 323.820 3.393 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc2c1OCC[C@H]2O ZINC001560736731 1189371061 /nfs/dbraw/zinc/37/10/61/1189371061.db2.gz XXJHBIWHRWMTGH-CQSZACIVSA-N -1 3 307.296 3.098 20 10 DGCDHM C[C@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@@](C)(C(F)F)O1 ZINC001560938365 1189408920 /nfs/dbraw/zinc/40/89/20/1189408920.db2.gz CLYPNVZPGQAPQU-XPTSAGLGSA-N -1 3 305.752 3.290 20 10 DGCDHM Cc1cc([O-])c(CN2CC(F)(F)OC(F)(F)C2)c(Cl)c1 ZINC001561015239 1189420623 /nfs/dbraw/zinc/42/06/23/1189420623.db2.gz OWZVAFGOCNZUCP-UHFFFAOYSA-N -1 3 313.678 3.372 20 10 DGCDHM CCOc1ccc2c(c1)CN(Cc1cccc(F)c1[O-])CC2 ZINC001621137581 1193807311 /nfs/dbraw/zinc/80/73/11/1193807311.db2.gz DGTGQBCQHBXSPC-UHFFFAOYSA-N -1 3 301.361 3.488 20 10 DGCDHM CON(C)C(=O)c1ccc(NCc2ccc(Cl)cc2[O-])cc1 ZINC001621416864 1193840653 /nfs/dbraw/zinc/84/06/53/1193840653.db2.gz PDFZOIQDIKJKEL-UHFFFAOYSA-N -1 3 320.776 3.291 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCS[C@@H](c2ccccc2)C1 ZINC001628636743 1194189510 /nfs/dbraw/zinc/18/95/10/1194189510.db2.gz YYQCTVRWLJQULP-OAHLLOKOSA-N -1 3 315.394 3.028 20 10 DGCDHM COc1cccc(N(CC(C)C)C(=O)c2cccc(O)c2[O-])c1 ZINC001631411428 1194334593 /nfs/dbraw/zinc/33/45/93/1194334593.db2.gz WCYXAEWOSUXMJI-UHFFFAOYSA-N -1 3 315.369 3.409 20 10 DGCDHM Cc1ccc(OCCCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001635360388 1194546816 /nfs/dbraw/zinc/54/68/16/1194546816.db2.gz LFODBNAQIAWHQQ-UHFFFAOYSA-N -1 3 317.360 3.315 20 10 DGCDHM Cc1ccc(OCCC(=O)NCc2c([O-])cccc2F)cc1C ZINC001635360513 1194547048 /nfs/dbraw/zinc/54/70/48/1194547048.db2.gz NXMACEZWLBZVTQ-UHFFFAOYSA-N -1 3 317.360 3.233 20 10 DGCDHM O=C(NCc1cc(C2CC2)ccc1F)c1cccc(O)c1[O-] ZINC001636500691 1194616981 /nfs/dbraw/zinc/61/69/81/1194616981.db2.gz NMYPEVQELAZNAY-UHFFFAOYSA-N -1 3 301.317 3.044 20 10 DGCDHM C[C@@H](Cc1ccc(F)cc1)C(=O)NCc1c([O-])cccc1F ZINC001638862838 1194741308 /nfs/dbraw/zinc/74/13/08/1194741308.db2.gz FCGYCSOEYNWVDS-NSHDSACASA-N -1 3 305.324 3.165 20 10 DGCDHM Cc1cc(C)c(CC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001638864059 1194741504 /nfs/dbraw/zinc/74/15/04/1194741504.db2.gz SLZKGDJGAKMAHZ-UHFFFAOYSA-N -1 3 301.361 3.315 20 10 DGCDHM O=C(CCCOc1ccccc1)NCc1c([O-])cccc1F ZINC001645045852 1195152117 /nfs/dbraw/zinc/15/21/17/1195152117.db2.gz KFLWHNQOOVSMMA-UHFFFAOYSA-N -1 3 303.333 3.007 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c[nH]cc1-c1ccccc1 ZINC001645048282 1195152171 /nfs/dbraw/zinc/15/21/71/1195152171.db2.gz OCCVCJDAAGLFKI-UHFFFAOYSA-N -1 3 310.328 3.456 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(F)c2cccnc12 ZINC001645050748 1195153486 /nfs/dbraw/zinc/15/34/86/1195153486.db2.gz PUOAZLUPDKOSNG-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM Cc1occ(C(F)(F)F)c1C(=O)NCc1c([O-])cccc1F ZINC001652298859 1195578041 /nfs/dbraw/zinc/57/80/41/1195578041.db2.gz RCPAXZHRLYIQFD-UHFFFAOYSA-N -1 3 317.238 3.382 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1nc2c(s1)CCCC2 ZINC001653078446 1195686754 /nfs/dbraw/zinc/68/67/54/1195686754.db2.gz AQMULFRBRAGGCZ-UHFFFAOYSA-N -1 3 310.369 3.296 20 10 DGCDHM Cc1c(NCc2cc(C)cc(Br)c2[O-])cnn1C ZINC001657030053 1196094416 /nfs/dbraw/zinc/09/44/16/1196094416.db2.gz PIAJELAHCAQYOU-UHFFFAOYSA-N -1 3 310.195 3.117 20 10 DGCDHM COc1cc2c(cc1NCc1cccc(F)c1[O-])NC(=O)CC2 ZINC001657678172 1196168738 /nfs/dbraw/zinc/16/87/38/1196168738.db2.gz RMBCFFGMQKKYIK-UHFFFAOYSA-N -1 3 316.332 3.037 20 10 DGCDHM COc1c([O-])c(CNc2cncc(Cl)c2C)ccc1[N+](=O)[O-] ZINC001658217657 1196226188 /nfs/dbraw/zinc/22/61/88/1196226188.db2.gz MTVIJOAPSPEOFB-UHFFFAOYSA-N -1 3 323.736 3.278 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1cccc(C(F)(F)F)n1 ZINC001662492259 1196725306 /nfs/dbraw/zinc/72/53/06/1196725306.db2.gz MALRZSYLVVYQBL-UHFFFAOYSA-N -1 3 318.245 3.374 20 10 DGCDHM Cc1cc([O-])c(CN2Cc3ccccc3NC(=O)C2)cc1Cl ZINC001665097007 1197097260 /nfs/dbraw/zinc/09/72/60/1197097260.db2.gz GSVNLYWWSGOJDS-UHFFFAOYSA-N -1 3 316.788 3.308 20 10 DGCDHM Cc1cc(C)c(CNC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001683252277 1199250863 /nfs/dbraw/zinc/25/08/63/1199250863.db2.gz WVVIVUYWGNZQLG-UHFFFAOYSA-N -1 3 316.376 3.456 20 10 DGCDHM CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])C1(C)C ZINC001591695729 975524399 /nfs/dbraw/zinc/52/43/99/975524399.db2.gz JNQOHXGHWZNAHJ-XFBWCDHKSA-N -1 3 321.417 3.333 20 10 DGCDHM C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1ccccc1 ZINC001592704997 979166481 /nfs/dbraw/zinc/16/64/81/979166481.db2.gz BZNJGBPRIOZUCO-OLZOCXBDSA-N -1 3 315.369 3.209 20 10 DGCDHM CC[C@]([NH2+]Cc1cc(F)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595299335 980426617 /nfs/dbraw/zinc/42/66/17/980426617.db2.gz PVRRJGRGAKCSDW-QGZVFWFLSA-N -1 3 303.333 3.011 20 10 DGCDHM CCN(CC)c1ccc(CN(C)Cc2ccoc2C(=O)[O-])cc1 ZINC001596289803 983710210 /nfs/dbraw/zinc/71/02/10/983710210.db2.gz OUHDKGWMASEJCZ-UHFFFAOYSA-N -1 3 316.401 3.456 20 10 DGCDHM CCN(Cc1ccoc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC001596364909 983854939 /nfs/dbraw/zinc/85/49/39/983854939.db2.gz NFVDRUFKDKSLBQ-UHFFFAOYSA-N -1 3 302.374 3.066 20 10 DGCDHM C/C(=C/C(=O)[O-])CN(Cc1ccco1)Cc1ccccc1O ZINC001588946567 984658072 /nfs/dbraw/zinc/65/80/72/984658072.db2.gz TVUIKZXCMGMAGD-LCYFTJDESA-N -1 3 301.342 3.018 20 10 DGCDHM C[C@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1cc(C(=O)[O-])ccc1[O-] ZINC001593234435 994402437 /nfs/dbraw/zinc/40/24/37/994402437.db2.gz ZZOUCERNYWKKEK-QFYYESIMSA-N -1 3 312.369 3.011 20 10 DGCDHM C[C@@H]([NH2+]CCc1cccc(F)c1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593273183 994616271 /nfs/dbraw/zinc/61/62/71/994616271.db2.gz CWHMGOYETOTKED-LLVKDONJSA-N -1 3 303.333 3.123 20 10 DGCDHM C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593274771 994626842 /nfs/dbraw/zinc/62/68/42/994626842.db2.gz NWGDJGBTNNTNPA-JTQLQIEISA-N -1 3 320.776 3.032 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001236662244 1099729518 /nfs/dbraw/zinc/72/95/18/1099729518.db2.gz AXSKPFDVECOTCC-SKDRFNHKSA-N -1 3 302.187 3.253 20 10 DGCDHM C[C@H]1CC[C@@H](CO)CN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078316 1099958939 /nfs/dbraw/zinc/95/89/39/1099958939.db2.gz PKKASFPHFNZABD-VHSXEESVSA-N -1 3 304.217 3.292 20 10 DGCDHM Cc1cc([O-])c(CN2CC(O)(c3ccc(F)cc3)C2)cc1Cl ZINC001183651323 1083990953 /nfs/dbraw/zinc/99/09/53/1083990953.db2.gz BDHUUDDZIARUSX-UHFFFAOYSA-N -1 3 321.779 3.197 20 10 DGCDHM COc1nscc1CN(C)Cc1c([O-])cc(C)cc1Cl ZINC001183991608 1084084122 /nfs/dbraw/zinc/08/41/22/1084084122.db2.gz MKGYQPWELUWXFB-UHFFFAOYSA-N -1 3 312.822 3.451 20 10 DGCDHM COc1ccc(CN(C)Cc2cc(F)c(F)cc2[O-])c(OC)c1 ZINC001142524630 1087276872 /nfs/dbraw/zinc/27/68/72/1087276872.db2.gz DYCSRITYHKKXNM-UHFFFAOYSA-N -1 3 323.339 3.320 20 10 DGCDHM Cc1cccnc1O[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530405 1087278849 /nfs/dbraw/zinc/27/88/49/1087278849.db2.gz HCWJFIUEPDXAMN-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@](C)(C(F)F)O1 ZINC000698930092 1087708024 /nfs/dbraw/zinc/70/80/24/1087708024.db2.gz YRDBZNBOBKENDQ-LKFCYVNXSA-N -1 3 305.752 3.290 20 10 DGCDHM O=C([N-]Cc1c(O)ccc2ccccc21)C(F)(F)C(F)F ZINC001157041521 1089796142 /nfs/dbraw/zinc/79/61/42/1089796142.db2.gz IECZHJIMWIYIHM-UHFFFAOYSA-N -1 3 301.239 3.062 20 10 DGCDHM COc1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001157723727 1090088096 /nfs/dbraw/zinc/08/80/96/1090088096.db2.gz BKEPRHUQKLIGFZ-UHFFFAOYSA-N -1 3 316.748 3.005 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@](F)(CO)CC1 ZINC001203574350 1090759304 /nfs/dbraw/zinc/75/93/04/1090759304.db2.gz TWTXAICCUALLJK-CQSZACIVSA-N -1 3 322.207 3.386 20 10 DGCDHM Cc1nc2c(o1)CCN(Cc1cc(Br)ccc1[O-])C2 ZINC001203648250 1090772748 /nfs/dbraw/zinc/77/27/48/1090772748.db2.gz GLOCGFQIJGPOBB-UHFFFAOYSA-N -1 3 323.190 3.009 20 10 DGCDHM CN1CCN(Cc2c([O-])cccc2F)[C@H](c2ccccc2)C1 ZINC001137831948 1091094013 /nfs/dbraw/zinc/09/40/13/1091094013.db2.gz UHADBIWXCDRJBP-KRWDZBQOSA-N -1 3 300.377 3.020 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001139681759 1091641296 /nfs/dbraw/zinc/64/12/96/1091641296.db2.gz WNKAKDYXTZRYOX-UHFFFAOYSA-N -1 3 319.298 3.061 20 10 DGCDHM Cc1cccnc1O[C@@H]1CCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139688930 1091643145 /nfs/dbraw/zinc/64/31/45/1091643145.db2.gz DBNSGYJVELVUNK-GFCCVEGCSA-N -1 3 320.339 3.027 20 10 DGCDHM Cc1cc2c(cn1)CN(Cc1c([O-])cccc1Br)C2 ZINC001140101516 1091768291 /nfs/dbraw/zinc/76/82/91/1091768291.db2.gz XBXKOLZNRFXPAG-UHFFFAOYSA-N -1 3 319.202 3.374 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@@H](CO)c1ccc(Cl)cc1 ZINC001206992428 1091814452 /nfs/dbraw/zinc/81/44/52/1091814452.db2.gz VASLIPARXHRCDH-AWEZNQCLSA-N -1 3 313.731 3.147 20 10 DGCDHM [O-]c1cccc(Cl)c1CN1CCO[C@@H](c2ccccn2)C1 ZINC001140341433 1091835002 /nfs/dbraw/zinc/83/50/02/1091835002.db2.gz NMRYTUPHUWICTB-MRXNPFEDSA-N -1 3 304.777 3.014 20 10 DGCDHM CSc1ncc2c(n1)CN(Cc1c([O-])cccc1Cl)CC2 ZINC001140342236 1091835435 /nfs/dbraw/zinc/83/54/35/1091835435.db2.gz ZLVYHDPTCMZXQG-UHFFFAOYSA-N -1 3 321.833 3.116 20 10 DGCDHM Cc1cnc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)s1 ZINC001140467240 1091878709 /nfs/dbraw/zinc/87/87/09/1091878709.db2.gz REZSSQKLEYVUNM-UHFFFAOYSA-N -1 3 323.849 3.133 20 10 DGCDHM CN(Cc1ccccc1O)Cc1cccc([O-])c1Br ZINC001140553035 1091908027 /nfs/dbraw/zinc/90/80/27/1091908027.db2.gz QLIAZSWNHJIEGF-UHFFFAOYSA-N -1 3 322.202 3.492 20 10 DGCDHM Cc1ccc(O[C@@H]2CCN(Cc3c([O-])cc(F)cc3F)C2)nc1 ZINC001140585497 1091921895 /nfs/dbraw/zinc/92/18/95/1091921895.db2.gz KMZSHUGDUOLRFP-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM COc1ccc2nccc(Nc3cccc(Cl)c3[O-])c2n1 ZINC001210220706 1093084176 /nfs/dbraw/zinc/08/41/76/1093084176.db2.gz PVHSJJRMFDUYKI-UHFFFAOYSA-N -1 3 301.733 3.163 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001215145872 1093927076 /nfs/dbraw/zinc/92/70/76/1093927076.db2.gz OFCONAXLFZPGON-UHFFFAOYSA-N -1 3 320.308 3.001 20 10 DGCDHM Cc1ccc(-c2noc(-c3cccc(O)c3[O-])n2)c(F)c1F ZINC001215145757 1093927137 /nfs/dbraw/zinc/92/71/37/1093927137.db2.gz HJOIHHSLLMSIDE-UHFFFAOYSA-N -1 3 304.252 3.401 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cccc3cccnc32)no1 ZINC001215145871 1093927410 /nfs/dbraw/zinc/92/74/10/1093927410.db2.gz ODUZEYKLMAUSDK-UHFFFAOYSA-N -1 3 305.293 3.363 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC001215325292 1093960396 /nfs/dbraw/zinc/96/03/96/1093960396.db2.gz KSPAOUMXYRPJJQ-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM Cc1ccc(-c2noc(-c3ccc(O)c(O)c3[O-])n2)cc1Cl ZINC001215325128 1093960833 /nfs/dbraw/zinc/96/08/33/1093960833.db2.gz CJOIEULJKPWWMC-UHFFFAOYSA-N -1 3 318.716 3.482 20 10 DGCDHM Cc1cc(F)c(F)cc1-c1noc(-c2cc(O)c([O-])c(O)c2)n1 ZINC001215327852 1093962008 /nfs/dbraw/zinc/96/20/08/1093962008.db2.gz WOSRHQJCVBPCAH-UHFFFAOYSA-N -1 3 320.251 3.107 20 10 DGCDHM Cc1cc(C)c(-c2noc(-c3ccc([O-])c(O)c3Cl)n2)cn1 ZINC001216953131 1094283335 /nfs/dbraw/zinc/28/33/35/1094283335.db2.gz BWUKISRZBGOOHU-UHFFFAOYSA-N -1 3 317.732 3.480 20 10 DGCDHM CC(C)(Cc1ccc(O)cc1)C(=O)NCc1c([O-])cccc1F ZINC001120697499 1094496193 /nfs/dbraw/zinc/49/61/93/1094496193.db2.gz QQCIAYNMNBKGJC-UHFFFAOYSA-N -1 3 317.360 3.122 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2c(c1)CCCC2 ZINC001138096274 1095878128 /nfs/dbraw/zinc/87/81/28/1095878128.db2.gz BNKAVOQXKINEIE-LBPRGKRZSA-N -1 3 311.381 3.468 20 10 DGCDHM C[N@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccccc1[O-] ZINC001138195703 1095921283 /nfs/dbraw/zinc/92/12/83/1095921283.db2.gz AUKNRRYMDHRJOD-UHFFFAOYSA-N -1 3 324.380 3.064 20 10 DGCDHM C[N@@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccccc1[O-] ZINC001138195703 1095921298 /nfs/dbraw/zinc/92/12/98/1095921298.db2.gz AUKNRRYMDHRJOD-UHFFFAOYSA-N -1 3 324.380 3.064 20 10 DGCDHM O=C(Nc1ccc2c3c(cccc31)CC2)c1cc(O)c([O-])c(O)c1 ZINC001148586765 1096407380 /nfs/dbraw/zinc/40/73/80/1096407380.db2.gz XFDGYKRUDFZLPZ-UHFFFAOYSA-N -1 3 321.332 3.308 20 10 DGCDHM O=C(N[C@H](C1CCCCC1)C(F)(F)F)c1cccc(O)c1[O-] ZINC001148898509 1096463560 /nfs/dbraw/zinc/46/35/60/1096463560.db2.gz DXOPNWCSRHDUED-CYBMUJFWSA-N -1 3 317.307 3.339 20 10 DGCDHM O=C1c2cccc([O-])c2C(=O)c2c(O[C@H]3C=CCC3)cccc21 ZINC001226380513 1096675390 /nfs/dbraw/zinc/67/53/90/1096675390.db2.gz XLTDRNJBKRVAHP-NSHDSACASA-N -1 3 306.317 3.265 20 10 DGCDHM CC(C)Cn1cc(NCc2cc3ccccc3cc2[O-])ncc1=O ZINC001171406986 1096676260 /nfs/dbraw/zinc/67/62/60/1096676260.db2.gz IIYDPUCQLQUKSK-UHFFFAOYSA-N -1 3 323.396 3.370 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@H]1C[C@H]1C1CCCCC1 ZINC001229184408 1097272751 /nfs/dbraw/zinc/27/27/51/1097272751.db2.gz FDNCLHRUOCISCY-WFASDCNBSA-N -1 3 306.381 3.299 20 10 DGCDHM CN1CCC12CN(Cc1cc(Cl)c(C(C)(C)C)cc1[O-])C2 ZINC001277409168 1097362989 /nfs/dbraw/zinc/36/29/89/1097362989.db2.gz GQIKGIDWNMGGDT-UHFFFAOYSA-N -1 3 308.853 3.233 20 10 DGCDHM COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231454948 1097752910 /nfs/dbraw/zinc/75/29/10/1097752910.db2.gz LBNOPEXCWFYFBV-GFCCVEGCSA-N -1 3 315.369 3.292 20 10 DGCDHM COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C(=O)[O-])cc2[O-])cc1 ZINC001231454948 1097752915 /nfs/dbraw/zinc/75/29/15/1097752915.db2.gz LBNOPEXCWFYFBV-GFCCVEGCSA-N -1 3 315.369 3.292 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001231565763 1097780064 /nfs/dbraw/zinc/78/00/64/1097780064.db2.gz JMPSSWQJRFUEAG-UHFFFAOYSA-N -1 3 307.365 3.195 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001231565763 1097780066 /nfs/dbraw/zinc/78/00/66/1097780066.db2.gz JMPSSWQJRFUEAG-UHFFFAOYSA-N -1 3 307.365 3.195 20 10 DGCDHM CC1(C)CCC2(CC[NH+](Cc3cc(C(=O)[O-])ccc3[O-])CC2)O1 ZINC001231566778 1097780885 /nfs/dbraw/zinc/78/08/85/1097780885.db2.gz QYTFXVFSVXXBCP-UHFFFAOYSA-N -1 3 319.401 3.014 20 10 DGCDHM COCc1noc2c1CN(Cc1cc(Cl)c(C)cc1[O-])CC2 ZINC001231868598 1097869196 /nfs/dbraw/zinc/86/91/96/1097869196.db2.gz VQBAMCDAPOFSSI-UHFFFAOYSA-N -1 3 322.792 3.047 20 10 DGCDHM O=C1CCN(Cc2cc(Cl)c([O-])cc2O)[C@@H]2CCCC[C@H]12 ZINC001232258639 1097983323 /nfs/dbraw/zinc/98/33/23/1097983323.db2.gz BPGGKLRPQITAJF-WCQYABFASA-N -1 3 309.793 3.085 20 10 DGCDHM [O-]c1cc(O)c(CN2CCOC3(CCCCC3)C2)cc1Cl ZINC001232262760 1097985267 /nfs/dbraw/zinc/98/52/67/1097985267.db2.gz OUSVUHYPDCWSPP-UHFFFAOYSA-N -1 3 311.809 3.286 20 10 DGCDHM COc1cc([O-])c(CN2CC(F)(F)C[C@H]2CF)cc1Cl ZINC001232265750 1097986731 /nfs/dbraw/zinc/98/67/31/1097986731.db2.gz FHUYTBLYFRPJDR-VIFPVBQESA-N -1 3 309.715 3.233 20 10 DGCDHM [O-]c1cc(O)c(CN2CC(OCc3ccccc3)C2)cc1Cl ZINC001232266856 1097986939 /nfs/dbraw/zinc/98/69/39/1097986939.db2.gz DYIGPORYYVSEHG-UHFFFAOYSA-N -1 3 319.788 3.152 20 10 DGCDHM COC(=O)[C@H](C(C)C)N(C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419502 1098324532 /nfs/dbraw/zinc/32/45/32/1098324532.db2.gz ZVEZDDXTCIRCBF-LBPRGKRZSA-N -1 3 319.323 3.040 20 10 DGCDHM CC(=O)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233418838 1098325458 /nfs/dbraw/zinc/32/54/58/1098325458.db2.gz YDKVXJIBTSKICA-LLVKDONJSA-N -1 3 301.308 3.212 20 10 DGCDHM CCCN(CC(=O)OCC)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233419165 1098325634 /nfs/dbraw/zinc/32/56/34/1098325634.db2.gz LQTSASORJBMLAC-UHFFFAOYSA-N -1 3 319.323 3.186 20 10 DGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC2(C1)CCCCO2 ZINC001233452087 1098338865 /nfs/dbraw/zinc/33/88/65/1098338865.db2.gz KCICOQCFRBSHIO-UHFFFAOYSA-N -1 3 301.308 3.166 20 10 DGCDHM [O-]c1cc(C(F)(F)F)ccc1CN1CC(Oc2cccnc2)C1 ZINC001233454373 1098340238 /nfs/dbraw/zinc/34/02/38/1098340238.db2.gz SHKOEOYLWOWXSO-UHFFFAOYSA-N -1 3 324.302 3.069 20 10 DGCDHM [O-]c1c(CN2CC(F)(F)C[C@H]2CO)cccc1-c1ccccc1 ZINC001234989463 1098737307 /nfs/dbraw/zinc/73/73/07/1098737307.db2.gz DJVVYXNUVPETGD-HNNXBMFYSA-N -1 3 319.351 3.261 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H]2C[C@H]21 ZINC001235067767 1098782901 /nfs/dbraw/zinc/78/29/01/1098782901.db2.gz ZKZAJVIDXRNZSH-QPUJVOFHSA-N -1 3 300.171 3.278 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c(F)ccc(F)c1Cl ZINC001178413371 1098827585 /nfs/dbraw/zinc/82/75/85/1098827585.db2.gz RLEWLYCDVHKBSE-UHFFFAOYSA-N -1 3 315.678 3.393 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1Cc2ccc(Cl)cc21 ZINC001178413277 1098827720 /nfs/dbraw/zinc/82/77/20/1098827720.db2.gz PSQOGKVCLITUMP-GFCCVEGCSA-N -1 3 305.736 3.141 20 10 DGCDHM CNC(=O)N(C)c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC001179462811 1099107316 /nfs/dbraw/zinc/10/73/16/1099107316.db2.gz CNGQGNXXZAJNSO-UHFFFAOYSA-N -1 3 319.792 3.433 20 10 DGCDHM COC(=O)[C@H](C)N(Cc1cc(Cl)c(C)cc1[O-])C1CCC1 ZINC001180865394 1099518299 /nfs/dbraw/zinc/51/82/99/1099518299.db2.gz JRENYABBBSMAMY-NSHDSACASA-N -1 3 311.809 3.270 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CC3(CSC3)C2)c1 ZINC001236671746 1099736968 /nfs/dbraw/zinc/73/69/68/1099736968.db2.gz XOIVGLQMGYFPTD-UHFFFAOYSA-N -1 3 314.248 3.012 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC2(CC1)OCCO2 ZINC001236790129 1099785530 /nfs/dbraw/zinc/78/55/30/1099785530.db2.gz LCLZOHMYVYHVPC-UHFFFAOYSA-N -1 3 318.200 3.038 20 10 DGCDHM CCOC(=O)[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080402 1099957649 /nfs/dbraw/zinc/95/76/49/1099957649.db2.gz BUHHSWUZZWZLHC-SECBINFHSA-N -1 3 318.200 3.084 20 10 DGCDHM C[C@@H]1CCCN(Cc2c([O-])ccc(Cl)c2Cl)[C@@H]1CO ZINC001237077695 1099958704 /nfs/dbraw/zinc/95/87/04/1099958704.db2.gz JNDADOPHGALDSG-BXKDBHETSA-N -1 3 304.217 3.292 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@H](C)O[C@@H](C)C2)cc1Br ZINC001237675972 1100210862 /nfs/dbraw/zinc/21/08/62/1100210862.db2.gz DHQOIDWHVADTKF-QWRGUYRKSA-N -1 3 314.223 3.072 20 10 DGCDHM Cn1ccc(C2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)n1 ZINC001237804938 1100251912 /nfs/dbraw/zinc/25/19/12/1100251912.db2.gz ICHMTXCRUBILRM-UHFFFAOYSA-N -1 3 323.799 3.298 20 10 DGCDHM CC(=O)OC1CN(Cc2cc(Cl)c(C(C)(C)C)cc2[O-])C1 ZINC001248883679 1105186484 /nfs/dbraw/zinc/18/64/84/1105186484.db2.gz NEQDUIQHLGAEIK-UHFFFAOYSA-N -1 3 311.809 3.090 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CCCC[C@H]2C(N)=O)cc1Cl ZINC001248884181 1105186534 /nfs/dbraw/zinc/18/65/34/1105186534.db2.gz YWAKFHPABAXMKC-AWEZNQCLSA-N -1 3 324.852 3.183 20 10 DGCDHM [O-]c1c(O)cc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1O ZINC001252714677 1105819862 /nfs/dbraw/zinc/81/98/62/1105819862.db2.gz CCLQVLXMUHGTCS-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM CCOc1ncccc1CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC001321024310 1107225388 /nfs/dbraw/zinc/22/53/88/1107225388.db2.gz RYSAETMPGKVXIE-SNVBAGLBSA-N -1 3 308.328 3.315 20 10 DGCDHM O=C(N[C@H]1CCCC[C@H]1CC(F)(F)F)c1cccc(O)c1[O-] ZINC001324488778 1108310762 /nfs/dbraw/zinc/31/07/62/1108310762.db2.gz VZCUYIFSJDDPLZ-ONGXEEELSA-N -1 3 317.307 3.339 20 10 DGCDHM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001319948733 1108710879 /nfs/dbraw/zinc/71/08/79/1108710879.db2.gz RHALTQIHSOSRJJ-UHFFFAOYSA-N -1 3 304.733 3.470 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc([N+](=O)[O-])ccc1Cl ZINC001303877340 1111156598 /nfs/dbraw/zinc/15/65/98/1111156598.db2.gz AYZYEBKYULPWIP-UHFFFAOYSA-N -1 3 324.695 3.023 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CNCc1cnccc1C(F)(F)F ZINC001308470169 1111432110 /nfs/dbraw/zinc/43/21/10/1111432110.db2.gz CBCFCQXUJNVZRU-UHFFFAOYSA-N -1 3 318.245 3.374 20 10 DGCDHM CN1CCc2cc(NCc3ccc(Cl)cc3[O-])ccc2C1=O ZINC001308854366 1111484904 /nfs/dbraw/zinc/48/49/04/1111484904.db2.gz LORAYOHZJRDSRM-UHFFFAOYSA-N -1 3 316.788 3.286 20 10 DGCDHM Cc1cccc(C)c1CNC(=O)NCc1c([O-])cccc1F ZINC001312344794 1111648178 /nfs/dbraw/zinc/64/81/78/1111648178.db2.gz ZRTHFIRZXQVQEF-UHFFFAOYSA-N -1 3 302.349 3.148 20 10 DGCDHM COc1ccc(CNCc2c([O-])cccc2Cl)cc1OC ZINC000083551231 192372338 /nfs/dbraw/zinc/37/23/38/192372338.db2.gz AWYVVDMFODCFEZ-UHFFFAOYSA-N -1 3 307.777 3.353 20 10 DGCDHM Cc1ccc(C(=O)N([C@@H](C)c2ccco2)C2CC2)c([O-])c1O ZINC000179449417 432059272 /nfs/dbraw/zinc/05/92/72/432059272.db2.gz REZMWZLMCCKGPJ-NSHDSACASA-N -1 3 301.342 3.365 20 10 DGCDHM CC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1nc(C)cs1 ZINC000179483273 432060137 /nfs/dbraw/zinc/06/01/37/432060137.db2.gz NJHLZTKOMMCPAK-LLVKDONJSA-N -1 3 306.387 3.052 20 10 DGCDHM C[C@H](c1ccccc1)N(Cc1ncnn1C)Cc1ccccc1[O-] ZINC000179646508 432066048 /nfs/dbraw/zinc/06/60/48/432066048.db2.gz BEFOAGDONRMQNL-OAHLLOKOSA-N -1 3 322.412 3.284 20 10 DGCDHM CO[C@@H](C)c1nc(CN[C@H]2CCc3cccc([O-])c32)cs1 ZINC000297946430 132041573 /nfs/dbraw/zinc/04/15/73/132041573.db2.gz YJSFVOGHRQBIBQ-GWCFXTLKSA-N -1 3 304.415 3.333 20 10 DGCDHM Cc1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)c([O-])c1O ZINC000179537686 228352684 /nfs/dbraw/zinc/35/26/84/228352684.db2.gz HVTJMDIADJLYFF-UHFFFAOYSA-N -1 3 317.307 3.211 20 10 DGCDHM Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc43)C2)c([O-])c1O ZINC000182942713 228370505 /nfs/dbraw/zinc/37/05/05/228370505.db2.gz WFGGTVSEWWIDQP-UHFFFAOYSA-N -1 3 322.364 3.086 20 10 DGCDHM CCCC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000075416998 431476367 /nfs/dbraw/zinc/47/63/67/431476367.db2.gz ZWPJIHUCFSUILY-UHFFFAOYSA-N -1 3 300.196 3.303 20 10 DGCDHM CN(Cc1cnc([C@@H]2CCCO2)s1)Cc1ccccc1[O-] ZINC000271120242 432332456 /nfs/dbraw/zinc/33/24/56/432332456.db2.gz HGBHQNNTGGXGCZ-HNNXBMFYSA-N -1 3 304.415 3.332 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)C[C@H](C)c2nccs2)c1[O-] ZINC000184001426 432344343 /nfs/dbraw/zinc/34/43/43/432344343.db2.gz QHHAIGHLRCBVDC-JTQLQIEISA-N -1 3 322.405 3.426 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CC=C(c2ccc(F)cc2)CC1 ZINC000192899843 432426916 /nfs/dbraw/zinc/42/69/16/432426916.db2.gz VMWGWGPRVFLLSC-UHFFFAOYSA-N -1 3 313.328 3.166 20 10 DGCDHM [O-]c1ccccc1CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000263679190 432564099 /nfs/dbraw/zinc/56/40/99/432564099.db2.gz MDOJTXRNQYLTLR-UHFFFAOYSA-N -1 3 319.408 3.356 20 10 DGCDHM Cc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c([O-])c1O ZINC000185824650 432536490 /nfs/dbraw/zinc/53/64/90/432536490.db2.gz GEVDIUNUQKQSPJ-LLVKDONJSA-N -1 3 323.348 3.127 20 10 DGCDHM CCc1nc(C)c([C@H](C)N(C)C(=O)c2cccc(O)c2[O-])s1 ZINC000187122941 432645975 /nfs/dbraw/zinc/64/59/75/432645975.db2.gz JOESJNWBEBGEKE-JTQLQIEISA-N -1 3 320.414 3.258 20 10 DGCDHM CN(C)c1ccc(CN[C@H](CC(=O)[O-])c2ccsc2)cc1 ZINC000276978924 432828120 /nfs/dbraw/zinc/82/81/20/432828120.db2.gz HZSLHGYWKZOYQG-OAHLLOKOSA-N -1 3 304.415 3.120 20 10 DGCDHM COC(=O)[C@H](NCc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000276492601 432812367 /nfs/dbraw/zinc/81/23/67/432812367.db2.gz QKBGSALQCBUMIY-GOSISDBHSA-N -1 3 311.381 3.100 20 10 DGCDHM C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)c1cccc(O)c1[O-] ZINC000279255627 432950508 /nfs/dbraw/zinc/95/05/08/432950508.db2.gz IRDIDQALHSYHTN-UKRRQHHQSA-N -1 3 311.381 3.191 20 10 DGCDHM COc1cc(Cl)cc(CN2CCC[C@H]2c2nc(C)no2)c1[O-] ZINC000289818749 432974236 /nfs/dbraw/zinc/97/42/36/432974236.db2.gz NZYAHKSWIHXMBO-LBPRGKRZSA-N -1 3 323.780 3.083 20 10 DGCDHM CCCCN(Cc1cn(C(C)C)nn1)Cc1ccccc1[O-] ZINC000289840408 432977426 /nfs/dbraw/zinc/97/74/26/432977426.db2.gz UUFGRNGCOJXIFQ-UHFFFAOYSA-N -1 3 302.422 3.367 20 10 DGCDHM CC[C@@H](N[C@H]1COC[C@@H]1OC)c1cc(Cl)cc(Cl)c1[O-] ZINC000290145201 432999708 /nfs/dbraw/zinc/99/97/08/432999708.db2.gz KXYQHRPYXWXZCJ-AGIUHOORSA-N -1 3 320.216 3.154 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccsc2)CC1 ZINC000280410294 433046486 /nfs/dbraw/zinc/04/64/86/433046486.db2.gz HXARTVBWZXIESN-UHFFFAOYSA-N -1 3 303.383 3.179 20 10 DGCDHM C[C@H](NCc1cnc2n1CCCC2)c1cc(Cl)ccc1[O-] ZINC000375273257 433407563 /nfs/dbraw/zinc/40/75/63/433407563.db2.gz YUNKWZLMLPCCGJ-NSHDSACASA-N -1 3 305.809 3.429 20 10 DGCDHM C[C@H]1CCN(C(=O)/C=C/c2cncs2)c2c([O-])cccc21 ZINC000282480235 433614923 /nfs/dbraw/zinc/61/49/23/433614923.db2.gz WUGONQKMYOEDRX-QRGHLMKCSA-N -1 3 300.383 3.402 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1n1ccnc1 ZINC000294434617 434111985 /nfs/dbraw/zinc/11/19/85/434111985.db2.gz XNEGPKNLIXEQKY-XHDPSFHLSA-N -1 3 323.799 3.464 20 10 DGCDHM CCn1cc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cn1 ZINC000294871933 434149937 /nfs/dbraw/zinc/14/99/37/434149937.db2.gz PFKZTPLDORVAFV-VIFPVBQESA-N -1 3 324.768 3.021 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367701480 434555208 /nfs/dbraw/zinc/55/52/08/434555208.db2.gz LBGHDDBRBPSHSX-ZDUSSCGKSA-N -1 3 323.742 3.325 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H](CCO)c1ccccc1 ZINC000293527374 335111629 /nfs/dbraw/zinc/11/16/29/335111629.db2.gz DQPOVDCLJZWWDS-OAHLLOKOSA-N -1 3 309.768 3.398 20 10 DGCDHM COc1cc(Cl)cc(CN2CCO[C@@H](c3ccco3)C2)c1[O-] ZINC000184701280 533953330 /nfs/dbraw/zinc/95/33/30/533953330.db2.gz VQAXAQSHMNTXOX-OAHLLOKOSA-N -1 3 323.776 3.221 20 10 DGCDHM CCOC(=O)[C@@H](NCc1ccccc1[O-])c1cccc(C)c1C ZINC000189664202 521083342 /nfs/dbraw/zinc/08/33/42/521083342.db2.gz ZCLSOMVMZOTUJC-SFHVURJKSA-N -1 3 313.397 3.403 20 10 DGCDHM CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182483366 523118479 /nfs/dbraw/zinc/11/84/79/523118479.db2.gz VVYUTPAABSZDLD-AWEZNQCLSA-N -1 3 300.358 3.025 20 10 DGCDHM CC[C@@H](N[C@H]1CCN(C(C)C)C1=O)c1cccc(Cl)c1[O-] ZINC000287314436 535808943 /nfs/dbraw/zinc/80/89/43/535808943.db2.gz DAZQVOGYGKCYFH-KGLIPLIRSA-N -1 3 310.825 3.096 20 10 DGCDHM COCCOc1ccccc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000273381777 536732149 /nfs/dbraw/zinc/73/21/49/536732149.db2.gz IHKBMPPIRMZUPU-CYBMUJFWSA-N -1 3 319.376 3.407 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000731866911 574561118 /nfs/dbraw/zinc/56/11/18/574561118.db2.gz KVTDHRAVAVXRSM-INIZCTEOSA-N -1 3 317.410 3.040 20 10 DGCDHM COc1ccc(Cl)cc1CN(C)C(=O)c1cc([O-])cs1 ZINC000731868288 574561423 /nfs/dbraw/zinc/56/14/23/574561423.db2.gz AMUUTYUGVKGRTE-UHFFFAOYSA-N -1 3 311.790 3.388 20 10 DGCDHM CN(CCOc1ccccc1Cl)C(=O)c1cc([O-])cs1 ZINC000732259062 574569291 /nfs/dbraw/zinc/56/92/91/574569291.db2.gz KYNVVNFEBHXZMZ-UHFFFAOYSA-N -1 3 311.790 3.258 20 10 DGCDHM C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732275822 574569953 /nfs/dbraw/zinc/56/99/53/574569953.db2.gz CJCQNSZZZFFSDW-GXTWGEPZSA-N -1 3 316.426 3.019 20 10 DGCDHM COc1cc(C)c(CN(C)C(=O)c2cc([O-])cs2)cc1OC ZINC000732258039 574570283 /nfs/dbraw/zinc/57/02/83/574570283.db2.gz KDLFIVNAOYSOAB-UHFFFAOYSA-N -1 3 321.398 3.052 20 10 DGCDHM CCc1cccc2c1OCC[C@H]2NC(=O)c1cc([O-])cs1 ZINC000732282832 574570464 /nfs/dbraw/zinc/57/04/64/574570464.db2.gz VQIMKZCRAJZDNG-CYBMUJFWSA-N -1 3 303.383 3.270 20 10 DGCDHM COc1ccc([C@H]2CCN(C(=O)c3cc([O-])cs3)C2)cc1 ZINC000732280992 574570484 /nfs/dbraw/zinc/57/04/84/574570484.db2.gz LYSUICUIEGNZAK-LBPRGKRZSA-N -1 3 303.383 3.092 20 10 DGCDHM COc1ccc2cc(NC(=O)c3cc([O-])cs3)ccc2n1 ZINC000732284641 574570598 /nfs/dbraw/zinc/57/05/98/574570598.db2.gz VQHSGMGGKIEDIW-UHFFFAOYSA-N -1 3 300.339 3.263 20 10 DGCDHM CC(C)(C)c1csc(CCNC(=O)c2cc([O-])cs2)n1 ZINC000732287981 574570746 /nfs/dbraw/zinc/57/07/46/574570746.db2.gz KQHMGSPIPOSWKC-UHFFFAOYSA-N -1 3 310.444 3.180 20 10 DGCDHM C[C@H](OC(=O)c1cc([O-])cs1)C(=O)NCCC1=CCCCC1 ZINC000732354110 574572361 /nfs/dbraw/zinc/57/23/61/574572361.db2.gz ZXNJBPYJPVFYCB-NSHDSACASA-N -1 3 323.414 3.006 20 10 DGCDHM CCOc1ccc(CN[C@@H](COC)c2ccc(CC)o2)c([O-])c1 ZINC000742373753 574993494 /nfs/dbraw/zinc/99/34/94/574993494.db2.gz IQVMLDKJVFNCGJ-INIZCTEOSA-N -1 3 319.401 3.424 20 10 DGCDHM O=C(c1cc([O-])cs1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000747614238 575527395 /nfs/dbraw/zinc/52/73/95/575527395.db2.gz ONDKINVTGBQXMW-UHFFFAOYSA-N -1 3 318.354 3.167 20 10 DGCDHM O=C(NC[C@H]1SCCc2ccccc21)c1cc([O-])cs1 ZINC000749543157 575664249 /nfs/dbraw/zinc/66/42/49/575664249.db2.gz AUPYMPSFNFPKDW-CQSZACIVSA-N -1 3 305.424 3.214 20 10 DGCDHM CCCCN(CCOC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750045216 575699824 /nfs/dbraw/zinc/69/98/24/575699824.db2.gz NDHFQWPNMOCFCD-UHFFFAOYSA-N -1 3 313.825 3.497 20 10 DGCDHM O=C([O-])C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCC1 ZINC000854244773 620787670 /nfs/dbraw/zinc/78/76/70/620787670.db2.gz RYSFCMCHYAQVJW-UHFFFAOYSA-N -1 3 311.381 3.404 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840958372 618635233 /nfs/dbraw/zinc/63/52/33/618635233.db2.gz QEHOVOQHHRAPAK-DOMZBBRYSA-N -1 3 321.779 3.493 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000895422800 618783520 /nfs/dbraw/zinc/78/35/20/618783520.db2.gz OITWFUTZIWQABA-WBVHZDCISA-N -1 3 319.351 3.368 20 10 DGCDHM [O-]c1cccc(F)c1CNc1cc(Cl)nc([C@H]2CCCO2)n1 ZINC000895832675 618839161 /nfs/dbraw/zinc/83/91/61/618839161.db2.gz LOZAEUBZRQALEH-GFCCVEGCSA-N -1 3 323.755 3.438 20 10 DGCDHM CCOC(=O)[C@@](C)(NCc1cc(F)ccc1[O-])c1ccccc1 ZINC000895894678 618847334 /nfs/dbraw/zinc/84/73/34/618847334.db2.gz NYNCTTKIOOGEAD-SFHVURJKSA-N -1 3 317.360 3.099 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C)CC2)c1 ZINC000896586665 618931196 /nfs/dbraw/zinc/93/11/96/618931196.db2.gz ZWKXTQSSABWBED-LLVKDONJSA-N -1 3 314.223 3.074 20 10 DGCDHM Cc1cc([O-])c(CN[C@@H](c2ncccn2)C2CC2)cc1Cl ZINC000896596901 618932896 /nfs/dbraw/zinc/93/28/96/618932896.db2.gz LFRVAKTUHXNHFA-OAHLLOKOSA-N -1 3 303.793 3.385 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(O)(C2CCC2)CC1 ZINC000897036810 619004948 /nfs/dbraw/zinc/00/49/48/619004948.db2.gz MRMFUTPVSWWTRC-UHFFFAOYSA-N -1 3 313.800 3.312 20 10 DGCDHM C[C@H](Cc1ccsc1)NC(=O)NCc1c([O-])cccc1F ZINC000914313100 620519548 /nfs/dbraw/zinc/51/95/48/620519548.db2.gz PFRJQCVGJSHLMZ-SNVBAGLBSA-N -1 3 308.378 3.023 20 10 DGCDHM CC(C)c1csc(CNC(=O)NCc2c([O-])cccc2F)n1 ZINC000921501009 620874697 /nfs/dbraw/zinc/87/46/97/620874697.db2.gz ADYBFQUJLHLMEN-UHFFFAOYSA-N -1 3 323.393 3.111 20 10 DGCDHM Cc1cccc([O-])c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858452625 621192757 /nfs/dbraw/zinc/19/27/57/621192757.db2.gz NFTCTXDXGLTGEY-UHFFFAOYSA-N -1 3 310.397 3.231 20 10 DGCDHM C[C@H](NCc1cccc2c1OCO2)c1cc(F)cc(F)c1[O-] ZINC000756462844 621640009 /nfs/dbraw/zinc/64/00/09/621640009.db2.gz YFZCRBXZPKGNTI-VIFPVBQESA-N -1 3 307.296 3.250 20 10 DGCDHM C[C@H](NCc1cccc2c1OCCO2)c1cc(F)cc(F)c1[O-] ZINC000756703097 621659218 /nfs/dbraw/zinc/65/92/18/621659218.db2.gz FINVJJVOCOHRLK-JTQLQIEISA-N -1 3 321.323 3.292 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN(C)Cc2cccnc2)c1 ZINC000757871021 621744426 /nfs/dbraw/zinc/74/44/26/621744426.db2.gz CMLPXMAJQZKFTJ-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(F)cc(Cl)c1 ZINC000758171544 621762767 /nfs/dbraw/zinc/76/27/67/621762767.db2.gz UXKGQKOZZACERF-UHFFFAOYSA-N -1 3 319.716 3.125 20 10 DGCDHM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1F ZINC000120094650 621781135 /nfs/dbraw/zinc/78/11/35/621781135.db2.gz JXVDXUQSZNNVHH-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM [O-]c1c(Br)cccc1CNc1ccncc1Cl ZINC000764935438 622234040 /nfs/dbraw/zinc/23/40/40/622234040.db2.gz UEQYWCRGILEIBC-UHFFFAOYSA-N -1 3 313.582 3.237 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cccc2c1OCC[C@@H]2O ZINC000766083895 622304131 /nfs/dbraw/zinc/30/41/31/622304131.db2.gz DKHIJRKEZGQMEH-HNNXBMFYSA-N -1 3 305.761 3.474 20 10 DGCDHM COc1c([O-])c(CNc2ccc(F)c(C)c2)ccc1[N+](=O)[O-] ZINC000774929075 623208953 /nfs/dbraw/zinc/20/89/53/623208953.db2.gz NVRFDEFLNSKXSK-UHFFFAOYSA-N -1 3 306.293 3.369 20 10 DGCDHM COc1c([O-])c(CNCc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000774943527 623210179 /nfs/dbraw/zinc/21/01/79/623210179.db2.gz VAPTXDJKKKNSNB-UHFFFAOYSA-N -1 3 322.748 3.252 20 10 DGCDHM COc1c([O-])c(CNc2cnccc2SC)ccc1[N+](=O)[O-] ZINC000775032201 623219000 /nfs/dbraw/zinc/21/90/00/623219000.db2.gz FYZOMKTYCZEJID-UHFFFAOYSA-N -1 3 321.358 3.038 20 10 DGCDHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1ccc(Cl)cc1 ZINC000776646581 623448985 /nfs/dbraw/zinc/44/89/85/623448985.db2.gz ZPECATBSRHRGGL-UHFFFAOYSA-N -1 3 305.761 3.416 20 10 DGCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1OC(F)F ZINC000790524863 625664579 /nfs/dbraw/zinc/66/45/79/625664579.db2.gz CUOMGRCRMFPWIB-VIFPVBQESA-N -1 3 323.295 3.190 20 10 DGCDHM CC(C)COc1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790565365 625670598 /nfs/dbraw/zinc/67/05/98/625670598.db2.gz QWDZRTHFTYVBIV-UHFFFAOYSA-N -1 3 315.369 3.063 20 10 DGCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])c1ccc(OC)cc1 ZINC000780888931 623994207 /nfs/dbraw/zinc/99/42/07/623994207.db2.gz ZCAYMHQDGLRUKU-UHFFFAOYSA-N -1 3 301.342 3.082 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(OCC3CC3)cc2)c([O-])c1O ZINC000780940474 624000986 /nfs/dbraw/zinc/00/09/86/624000986.db2.gz VLJOBIDHMZWJGT-UHFFFAOYSA-N -1 3 313.353 3.447 20 10 DGCDHM Cc1ccc(C(=O)Nc2nc3ccccc3n2C2CC2)c([O-])c1O ZINC000780994530 624008408 /nfs/dbraw/zinc/00/84/08/624008408.db2.gz FSMMLHRYAXSKHK-UHFFFAOYSA-N -1 3 323.352 3.343 20 10 DGCDHM C[C@H]1c2cc(F)cc(F)c2CCN1C(=O)c1cccc(O)c1[O-] ZINC000790882405 625712246 /nfs/dbraw/zinc/71/22/46/625712246.db2.gz NJQLHGVTSACTJM-VIFPVBQESA-N -1 3 319.307 3.136 20 10 DGCDHM CN(Cc1ccccc1O)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000787121874 624980981 /nfs/dbraw/zinc/98/09/81/624980981.db2.gz QQXHXYPEKQDNLV-UHFFFAOYSA-N -1 3 317.360 3.218 20 10 DGCDHM Cc1ccc(SC[C@@H](C)NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790936450 625719119 /nfs/dbraw/zinc/71/91/19/625719119.db2.gz DFCDSJVZWADONX-GFCCVEGCSA-N -1 3 317.410 3.317 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CNCc1cccc2c1OCCO2 ZINC000790965741 625724415 /nfs/dbraw/zinc/72/44/15/625724415.db2.gz YTBMUVWWGKBZHK-UHFFFAOYSA-N -1 3 323.751 3.246 20 10 DGCDHM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)C)c2)cc1 ZINC000882798383 625819773 /nfs/dbraw/zinc/81/97/73/625819773.db2.gz IUHIDEOIBITCBO-UHFFFAOYSA-N -1 3 321.398 3.325 20 10 DGCDHM CC[C@@H](C)n1ncc(NC(=O)c2ccc(C)c(O)c2[O-])c1C ZINC000791585940 625829998 /nfs/dbraw/zinc/82/99/98/625829998.db2.gz WRWOUOJDXBFEAC-SNVBAGLBSA-N -1 3 303.362 3.134 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN[C@@H]1CCOc2ccc(F)cc21 ZINC000882991304 625887904 /nfs/dbraw/zinc/88/79/04/625887904.db2.gz UTDCANIVEIVJEQ-CQSZACIVSA-N -1 3 309.287 3.423 20 10 DGCDHM Cc1ccc(C)n1-c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000792609912 625965384 /nfs/dbraw/zinc/96/53/84/625965384.db2.gz LPYYHSWBCDUAOE-UHFFFAOYSA-N -1 3 321.380 3.125 20 10 DGCDHM CC[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cccc(Cl)c1[O-] ZINC000806130351 626700481 /nfs/dbraw/zinc/70/04/81/626700481.db2.gz WDEVCWNFCRQYPH-LSDHHAIUSA-N -1 3 318.804 3.313 20 10 DGCDHM [O-]c1cc2c(cc1CN1CCO[C@@H](CF)C1)oc1ccccc12 ZINC000840171051 626902435 /nfs/dbraw/zinc/90/24/35/626902435.db2.gz DWPNAAWVXSVLHO-ZDUSSCGKSA-N -1 3 315.344 3.462 20 10 DGCDHM C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1cc(Cl)ccc1[O-] ZINC000809696750 626937983 /nfs/dbraw/zinc/93/79/83/626937983.db2.gz QCUXRVBXXHLMBX-PRHODGIISA-N -1 3 309.715 3.197 20 10 DGCDHM CCN(CC(=O)N1CCCCCC1)Cc1c([O-])cccc1Cl ZINC000809713990 626940586 /nfs/dbraw/zinc/94/05/86/626940586.db2.gz SUDJPVWJIFTMAR-UHFFFAOYSA-N -1 3 324.852 3.270 20 10 DGCDHM Cc1noc([C@H]2CCCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000809719017 626941551 /nfs/dbraw/zinc/94/15/51/626941551.db2.gz USWHGCYNMDCHFG-CYBMUJFWSA-N -1 3 307.781 3.464 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000809789743 626953888 /nfs/dbraw/zinc/95/38/88/626953888.db2.gz CBCNTPHLBJQBIQ-UHFFFAOYSA-N -1 3 317.772 3.419 20 10 DGCDHM [O-]c1cccc(Br)c1CNCc1cc(C2CC2)no1 ZINC000886269021 627128378 /nfs/dbraw/zinc/12/83/78/627128378.db2.gz IRBLOJIKMIKXIJ-UHFFFAOYSA-N -1 3 323.190 3.310 20 10 DGCDHM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000886500452 627153682 /nfs/dbraw/zinc/15/36/82/627153682.db2.gz WPOVCNZZINCYFJ-NWDGAFQWSA-N -1 3 318.396 3.261 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2c([O-])cccc2F)cc1[N+](=O)[O-] ZINC000886516477 627155700 /nfs/dbraw/zinc/15/57/00/627155700.db2.gz JKAWWBZVLMHRPB-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM C[C@@H](NCc1cnn(CC(F)(F)F)c1)c1c([O-])cccc1F ZINC000886540690 627159473 /nfs/dbraw/zinc/15/94/73/627159473.db2.gz JGIIKNKFWPPRNA-SECBINFHSA-N -1 3 317.286 3.141 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ccc(C(F)(F)F)nn1 ZINC000811838415 627327691 /nfs/dbraw/zinc/32/76/91/627327691.db2.gz HZXTXRVNYXIQHZ-UHFFFAOYSA-N -1 3 303.671 3.467 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC2CCC2)c1[O-] ZINC000815293641 627654007 /nfs/dbraw/zinc/65/40/07/627654007.db2.gz KIKDCPXHJUIYHL-MRXNPFEDSA-N -1 3 321.392 3.125 20 10 DGCDHM C[C@@H](c1cc(F)cc(F)c1[O-])N1CCOc2ccc(N)cc2C1 ZINC000925753230 627788438 /nfs/dbraw/zinc/78/84/38/627788438.db2.gz FJDOQGAWAXHQCB-JTQLQIEISA-N -1 3 320.339 3.208 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1C[C@@H]2CCCCN2c2ccccc21 ZINC000819021285 628079512 /nfs/dbraw/zinc/07/95/12/628079512.db2.gz XZEALRBOTUCHQU-ZDUSSCGKSA-N -1 3 324.380 3.117 20 10 DGCDHM C[C@]1(CC(=O)NCc2c([O-])cccc2F)CC1(Cl)Cl ZINC000928705019 628179310 /nfs/dbraw/zinc/17/93/10/628179310.db2.gz CBJIIVWLYORBIA-LBPRGKRZSA-N -1 3 306.164 3.122 20 10 DGCDHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2c([O-])cccc2F)o1 ZINC000928710230 628180347 /nfs/dbraw/zinc/18/03/47/628180347.db2.gz QOMWMRHXBQWRNL-YPMHNXCESA-N -1 3 317.360 3.497 20 10 DGCDHM Oc1ccc2c(c1CNc1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000823733107 628591062 /nfs/dbraw/zinc/59/10/62/628591062.db2.gz TXPQIAAKJJMQAB-UHFFFAOYSA-N -1 3 321.384 3.063 20 10 DGCDHM Cc1cc([O-])c(CN2CCN(CC(F)(F)F)CC2)cc1Cl ZINC000824541971 628668658 /nfs/dbraw/zinc/66/86/58/628668658.db2.gz LUNZKBLUGWPGDP-UHFFFAOYSA-N -1 3 322.758 3.034 20 10 DGCDHM Cc1cc([O-])c(CN2CCOC[C@@H]2CC(F)F)cc1Cl ZINC000825893313 628807737 /nfs/dbraw/zinc/80/77/37/628807737.db2.gz VRZCRSPIMQECTL-NSHDSACASA-N -1 3 305.752 3.210 20 10 DGCDHM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)C1O ZINC000827152051 628928850 /nfs/dbraw/zinc/92/88/50/628928850.db2.gz PTTAZDSYLSVNCY-IUCAKERBSA-N -1 3 304.217 3.148 20 10 DGCDHM Cn1ncc2c1CC(C)(C)CN(Cc1cccc(Cl)c1[O-])C2 ZINC000828018607 629015495 /nfs/dbraw/zinc/01/54/95/629015495.db2.gz KXZARXKQKMZHKH-UHFFFAOYSA-N -1 3 319.836 3.364 20 10 DGCDHM CC(=O)c1cc(F)cc(CN(C)Cc2ccc(C)cn2)c1[O-] ZINC000831053194 629334233 /nfs/dbraw/zinc/33/42/33/629334233.db2.gz AXSAFGDLOBVRFS-UHFFFAOYSA-N -1 3 302.349 3.069 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCSC[C@@H]2C2CC2)c1[O-] ZINC000831773698 629410499 /nfs/dbraw/zinc/41/04/99/629410499.db2.gz RRLHOFSXAFXOSQ-OAHLLOKOSA-N -1 3 309.406 3.061 20 10 DGCDHM COc1ccc(O)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccccc2F)c1 ZINC000833734030 629644451 /nfs/dbraw/zinc/64/44/51/629644451.db2.gz ZTVKOONQUVNROE-QLJPJBMISA-N -1 3 319.332 3.016 20 10 DGCDHM O=C([O-])N[C@@H]1C[C@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159707 629674732 /nfs/dbraw/zinc/67/47/32/629674732.db2.gz WAZQLNNIZWLSAM-DLBZAZTESA-N -1 3 324.380 3.165 20 10 DGCDHM O=C([O-])N[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)c2ccccc21 ZINC000834159711 629674890 /nfs/dbraw/zinc/67/48/90/629674890.db2.gz WAZQLNNIZWLSAM-IRXDYDNUSA-N -1 3 324.380 3.165 20 10 DGCDHM Cc1cc([O-])c(CN(C)Cc2nnc3ccccn32)c(Cl)c1 ZINC000840912639 630377434 /nfs/dbraw/zinc/37/74/34/630377434.db2.gz LITBBJSXJLNFLU-UHFFFAOYSA-N -1 3 316.792 3.029 20 10 DGCDHM Cc1cc([O-])c(CN2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000843420289 630655741 /nfs/dbraw/zinc/65/57/41/630655741.db2.gz BAAVHWHOWMEBMO-OAHLLOKOSA-N -1 3 313.850 3.062 20 10 DGCDHM C[C@@H](O)[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182960 631213923 /nfs/dbraw/zinc/21/39/23/631213923.db2.gz MLNQALDGMLFLKU-WVQJBOLRSA-N -1 3 307.340 3.443 20 10 DGCDHM Cn1ncc(C2CCC2)c1CNCc1c([O-])ccc(Cl)c1F ZINC000850391120 632136841 /nfs/dbraw/zinc/13/68/41/632136841.db2.gz FVIPPIVEUQXQGL-UHFFFAOYSA-N -1 3 323.799 3.476 20 10 DGCDHM O=C(Nc1ccc(OC2CCC2)c(F)c1)c1cccc(O)c1[O-] ZINC000185795719 660243094 /nfs/dbraw/zinc/24/30/94/660243094.db2.gz QZRDNQUXUHEGHQ-UHFFFAOYSA-N -1 3 317.316 3.421 20 10 DGCDHM O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cccc(O)c1[O-] ZINC000186801254 660575214 /nfs/dbraw/zinc/57/52/14/660575214.db2.gz HIHQWTJDRQSTRY-GFCCVEGCSA-N -1 3 319.357 3.204 20 10 DGCDHM C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000186844977 660577513 /nfs/dbraw/zinc/57/75/13/660577513.db2.gz ICXOJPATYVUKMQ-SECBINFHSA-N -1 3 307.296 3.209 20 10 DGCDHM O=C(N[C@H]1CCSc2c(F)cccc21)c1cccc(O)c1[O-] ZINC000186923663 660587321 /nfs/dbraw/zinc/58/73/21/660587321.db2.gz WPFMEUJYBKVVNM-LBPRGKRZSA-N -1 3 319.357 3.204 20 10 DGCDHM CC[C@H]1CO[C@H](C)CN1Cc1c([O-])cccc1Br ZINC000707146664 660893613 /nfs/dbraw/zinc/89/36/13/660893613.db2.gz QDPJWOLCPRYMHV-MNOVXSKESA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)O1 ZINC000708351421 660920183 /nfs/dbraw/zinc/92/01/83/660920183.db2.gz XQCQPQMPBCZSGM-ZWNOBZJWSA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@](C)(NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000933502333 655716759 /nfs/dbraw/zinc/71/67/59/655716759.db2.gz PZCLKCZYXLBGCS-LBPRGKRZSA-N -1 3 308.275 3.062 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccccc2OC(F)F)c([O-])c1O ZINC000179406354 655891997 /nfs/dbraw/zinc/89/19/97/655891997.db2.gz PREAWQMGOMWEST-UHFFFAOYSA-N -1 3 309.268 3.260 20 10 DGCDHM Cc1ccc(NC(=O)CN(C)Cc2cc(Cl)ccc2[O-])cc1 ZINC000179532929 655907596 /nfs/dbraw/zinc/90/75/96/655907596.db2.gz AGSFYQWDQZRXQK-UHFFFAOYSA-N -1 3 318.804 3.425 20 10 DGCDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C1(CC)CC ZINC000193129710 656185621 /nfs/dbraw/zinc/18/56/21/656185621.db2.gz IDASIWHHACTCOG-GJZGRUSLSA-N -1 3 321.417 3.154 20 10 DGCDHM Cc1nc(CNCc2cccc(Br)c2[O-])cs1 ZINC000042412610 658774183 /nfs/dbraw/zinc/77/41/83/658774183.db2.gz JFIXIJVKNMMFDF-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(N(C)C)c(C)c2)c([O-])c1O ZINC000179423876 659928075 /nfs/dbraw/zinc/92/80/75/659928075.db2.gz PMCIYTNPOSVFRI-UHFFFAOYSA-N -1 3 300.358 3.033 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)OC(C)(C)C2)c1[O-] ZINC000189650837 661986500 /nfs/dbraw/zinc/98/65/00/661986500.db2.gz GDJJUKJDMLFAIE-UHFFFAOYSA-N -1 3 309.381 3.123 20 10 DGCDHM Cc1c(Br)cccc1NC(=O)c1cccc(O)c1[O-] ZINC000193008297 662120564 /nfs/dbraw/zinc/12/05/64/662120564.db2.gz YESIGFKFXXNSKG-UHFFFAOYSA-N -1 3 322.158 3.421 20 10 DGCDHM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cccc(O)c2[O-])C1 ZINC000193100914 662122894 /nfs/dbraw/zinc/12/28/94/662122894.db2.gz QRRKOBZETMEZLI-NHYWBVRUSA-N -1 3 315.344 3.460 20 10 DGCDHM c1ccc(-c2nnn[n-]2)c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001593568810 1192636182 /nfs/dbraw/zinc/63/61/82/1192636182.db2.gz DJMSTKSHLFRWMT-UHFFFAOYSA-N -1 3 320.400 3.079 20 10 DGCDHM c1ccc(-c2nn[n-]n2)c(NCc2ccc(N3CCCC3)cc2)c1 ZINC001593568810 1192636186 /nfs/dbraw/zinc/63/61/86/1192636186.db2.gz DJMSTKSHLFRWMT-UHFFFAOYSA-N -1 3 320.400 3.079 20 10 DGCDHM COc1ccc(Cl)cc1CC(=O)NCc1c([O-])cccc1F ZINC001596912163 1192710165 /nfs/dbraw/zinc/71/01/65/1192710165.db2.gz MERHINRWCRFUAM-UHFFFAOYSA-N -1 3 323.751 3.052 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc(-c2cnco2)cc1 ZINC001596911955 1192710244 /nfs/dbraw/zinc/71/02/44/1192710244.db2.gz JMPYDPJQBCXOLV-UHFFFAOYSA-N -1 3 312.300 3.116 20 10 DGCDHM CC(C)(C)c1nsc(NC(=O)NCc2c([O-])cccc2F)n1 ZINC001333893175 1178692023 /nfs/dbraw/zinc/69/20/23/1178692023.db2.gz IOWLMKLPDXBYGP-UHFFFAOYSA-N -1 3 324.381 3.002 20 10 DGCDHM C[C@@H]([NH2+]CC1(N(C)C)CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604336519 1193066087 /nfs/dbraw/zinc/06/60/87/1193066087.db2.gz GNODKSQWKWMIAO-CYBMUJFWSA-N -1 3 320.433 3.006 20 10 DGCDHM C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326292 1193065572 /nfs/dbraw/zinc/06/55/72/1193065572.db2.gz GNKJTAZBQXQKSU-WBMJQRKESA-N -1 3 311.381 3.299 20 10 DGCDHM C[C@H]([NH2+]C[C@H](C)N1CCCC[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604331810 1193065907 /nfs/dbraw/zinc/06/59/07/1193065907.db2.gz GSHIPBVKXDIYGF-RDBSUJKOSA-N -1 3 320.433 3.004 20 10 DGCDHM C[C@H](Oc1ccccc1Cl)C(=O)NCc1c([O-])cccc1F ZINC001456101582 1182397581 /nfs/dbraw/zinc/39/75/81/1182397581.db2.gz SRNLGILEDVZMLP-JTQLQIEISA-N -1 3 323.751 3.268 20 10 DGCDHM C[C@H](CC(N)=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001462601791 1182975350 /nfs/dbraw/zinc/97/53/50/1182975350.db2.gz GVUGXORWKIJQTM-SNVBAGLBSA-N -1 3 320.339 3.261 20 10 DGCDHM CO[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccccc1 ZINC001606679245 1193202932 /nfs/dbraw/zinc/20/29/32/1193202932.db2.gz AYPMPCKJOVEYLU-SJCJKPOMSA-N -1 3 315.369 3.129 20 10 DGCDHM CSCC1(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001607393098 1193227059 /nfs/dbraw/zinc/22/70/59/1193227059.db2.gz HKCHFRACINKFEU-LLVKDONJSA-N -1 3 309.431 3.274 20 10 DGCDHM O=C(Cc1ccc(F)c(Cl)c1)NCc1c([O-])cccc1F ZINC001471975952 1183603881 /nfs/dbraw/zinc/60/38/81/1183603881.db2.gz OCSMABBREDUUHO-UHFFFAOYSA-N -1 3 311.715 3.183 20 10 DGCDHM Cc1ccc(C(=O)NCc2c([O-])cccc2F)c(N)c1Cl ZINC001471975853 1183604370 /nfs/dbraw/zinc/60/43/70/1183604370.db2.gz JYYRGELTKHEJDU-UHFFFAOYSA-N -1 3 308.740 3.005 20 10 DGCDHM CC1(C)Cc2ccc(C(=O)NCc3c([O-])cccc3F)cc2O1 ZINC001471975797 1183604538 /nfs/dbraw/zinc/60/45/38/1183604538.db2.gz HSIHWJXMBVBFAP-UHFFFAOYSA-N -1 3 315.344 3.175 20 10 DGCDHM O=C1CCCN1c1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001474383725 1183913471 /nfs/dbraw/zinc/91/34/71/1183913471.db2.gz FLYASBZZJZIOCL-UHFFFAOYSA-N -1 3 318.323 3.409 20 10 DGCDHM Cc1oc(CN(C)Cc2cc3c(cc2O)CCC3)cc1C(=O)[O-] ZINC001608046162 1193275304 /nfs/dbraw/zinc/27/53/04/1193275304.db2.gz PXHOHVWGSHGTND-UHFFFAOYSA-N -1 3 315.369 3.113 20 10 DGCDHM COc1ccc(C[NH2+][C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c([O-])c1 ZINC001610335783 1193383236 /nfs/dbraw/zinc/38/32/36/1193383236.db2.gz LMPLJTYEBMCRDS-ZFWWWQNUSA-N -1 3 321.417 3.304 20 10 DGCDHM Cc1csc(CCC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001610546475 1193397311 /nfs/dbraw/zinc/39/73/11/1193397311.db2.gz UABKVUNUQMWHHC-NSHDSACASA-N -1 3 320.414 3.139 20 10 DGCDHM CCc1cc(CNCc2cc(Cl)cc(Cl)c2[O-])[nH]n1 ZINC001655603878 1195938536 /nfs/dbraw/zinc/93/85/36/1195938536.db2.gz SIUUJSIFYYMJHE-UHFFFAOYSA-N -1 3 300.189 3.274 20 10 DGCDHM Cc1ccc(C(=O)CCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001558456492 1189125990 /nfs/dbraw/zinc/12/59/90/1189125990.db2.gz YGKGGSHOVTZUTD-UHFFFAOYSA-N -1 3 315.344 3.119 20 10 DGCDHM O=C(/C=C\SCc1ccco1)NCc1c([O-])cccc1F ZINC001558455151 1189126263 /nfs/dbraw/zinc/12/62/63/1189126263.db2.gz QKSWBGKPFMOBTE-VURMDHGXSA-N -1 3 307.346 3.188 20 10 DGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1c(F)cccc1F ZINC001558455818 1189126421 /nfs/dbraw/zinc/12/64/21/1189126421.db2.gz ZIIUTMWCHHSXCG-VIFPVBQESA-N -1 3 309.287 3.229 20 10 DGCDHM CCOC(=O)CN(Cc1cc(Cl)c(C)cc1[O-])C1CCC1 ZINC001560736338 1189370546 /nfs/dbraw/zinc/37/05/46/1189370546.db2.gz PMRKVZCIIBMESE-UHFFFAOYSA-N -1 3 311.809 3.272 20 10 DGCDHM CCc1ccc(C(C)(C)CNC(=O)c2cccc(O)c2[O-])cc1 ZINC001566192697 1189751328 /nfs/dbraw/zinc/75/13/28/1189751328.db2.gz KIMRYONDWKFHJH-UHFFFAOYSA-N -1 3 313.397 3.368 20 10 DGCDHM Cn1cc([C@H]2CSCCN2Cc2ccc(Cl)cc2[O-])cn1 ZINC001621307879 1193828760 /nfs/dbraw/zinc/82/87/60/1193828760.db2.gz WSDXSNHYIDOIKY-CQSZACIVSA-N -1 3 323.849 3.069 20 10 DGCDHM O=C(C/C=C/c1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001635360399 1194546729 /nfs/dbraw/zinc/54/67/29/1194546729.db2.gz LPOAIGJMPBBUEO-HNQUOIGGSA-N -1 3 303.308 3.390 20 10 DGCDHM O=C(/C=C/c1ccnc2ccccc12)NCc1c([O-])cccc1F ZINC001646034142 1195211490 /nfs/dbraw/zinc/21/14/90/1195211490.db2.gz ICEHRNHZBMDHAE-CMDGGOBGSA-N -1 3 322.339 3.409 20 10 DGCDHM O=C(CCCOc1cccc(F)c1)NCc1c([O-])cccc1F ZINC001646034944 1195211638 /nfs/dbraw/zinc/21/16/38/1195211638.db2.gz OSSKLTUANAWPIS-UHFFFAOYSA-N -1 3 321.323 3.146 20 10 DGCDHM O=C(NCc1ccc(C(F)(F)F)s1)c1cccc(O)c1[O-] ZINC001651304844 1195440554 /nfs/dbraw/zinc/44/05/54/1195440554.db2.gz QPEPZVAEAUENFU-UHFFFAOYSA-N -1 3 317.288 3.108 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cnc2ccsc2c1 ZINC001652299075 1195577763 /nfs/dbraw/zinc/57/77/63/1195577763.db2.gz ZXLNVMXAQJICTK-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM COc1nscc1CN(C)Cc1cc(Cl)c(C)cc1[O-] ZINC001653155989 1195693224 /nfs/dbraw/zinc/69/32/24/1195693224.db2.gz SIQRIPIBPKDGIA-UHFFFAOYSA-N -1 3 312.822 3.451 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC001657219155 1196119288 /nfs/dbraw/zinc/11/92/88/1196119288.db2.gz NDOBJEYFOFEOLA-UHFFFAOYSA-N -1 3 315.323 3.146 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](c2ccncn2)C1 ZINC001657488137 1196147984 /nfs/dbraw/zinc/14/79/84/1196147984.db2.gz SXEUPMFTQYGDKB-NSHDSACASA-N -1 3 321.783 3.354 20 10 DGCDHM CC[C@H]1CN(CC)CCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001658102535 1196212292 /nfs/dbraw/zinc/21/22/92/1196212292.db2.gz PYLSEPXRIUNEJS-ZDUSSCGKSA-N -1 3 300.805 3.101 20 10 DGCDHM Cc1c(NCc2cc(F)c(F)cc2[O-])cnn1C1CCOCC1 ZINC001658181655 1196222566 /nfs/dbraw/zinc/22/25/66/1196222566.db2.gz DTPAREDMUMWSNF-UHFFFAOYSA-N -1 3 323.343 3.139 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H](CC(F)(F)F)C1 ZINC001658598285 1196278555 /nfs/dbraw/zinc/27/85/55/1196278555.db2.gz FPJVNPAGVIARCR-LLVKDONJSA-N -1 3 309.715 3.199 20 10 DGCDHM CCCN1CCN(Cc2cc(Cl)c(C)cc2[O-])C(C)(C)C1=O ZINC001658946726 1196324014 /nfs/dbraw/zinc/32/40/14/1196324014.db2.gz XATXFIMICKPALL-UHFFFAOYSA-N -1 3 324.852 3.187 20 10 DGCDHM [O-]c1c(F)cccc1CN[C@H]1CCc2ccccc2-n2ccnc21 ZINC001659697430 1196406553 /nfs/dbraw/zinc/40/65/53/1196406553.db2.gz NOGRCEVZNZSOOH-INIZCTEOSA-N -1 3 323.371 3.494 20 10 DGCDHM Cc1c(Cl)nccc1NC(=O)NCc1c([O-])cccc1F ZINC001672035510 1197590595 /nfs/dbraw/zinc/59/05/95/1197590595.db2.gz FTORAMHGVWYLNT-UHFFFAOYSA-N -1 3 309.728 3.210 20 10 DGCDHM C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NCc1c([O-])cccc1F ZINC001679796953 1198824732 /nfs/dbraw/zinc/82/47/32/1198824732.db2.gz GYNBFAHDCTVRNC-WMZOPIPTSA-N -1 3 314.360 3.061 20 10 DGCDHM C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NCc1c([O-])cccc1F ZINC001679796949 1198825009 /nfs/dbraw/zinc/82/50/09/1198825009.db2.gz GYNBFAHDCTVRNC-AEFFLSMTSA-N -1 3 314.360 3.061 20 10 DGCDHM COc1cc(Cl)cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c1[O-] ZINC000076274300 948999760 /nfs/dbraw/zinc/99/97/60/948999760.db2.gz MXPKBDIFHNFENA-UHFFFAOYSA-N -1 3 321.760 3.042 20 10 DGCDHM O=C([O-])[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)c2ccccc21 ZINC001594900420 954623859 /nfs/dbraw/zinc/62/38/59/954623859.db2.gz OBDKHNXVUHCFJQ-PMPSAXMXSA-N -1 3 309.365 3.282 20 10 DGCDHM C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1cc(C(=O)[O-])ccc1[O-] ZINC001592704998 979166202 /nfs/dbraw/zinc/16/62/02/979166202.db2.gz BZNJGBPRIOZUCO-QWHCGFSZSA-N -1 3 315.369 3.209 20 10 DGCDHM C[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1ccccc1 ZINC001592704996 979166247 /nfs/dbraw/zinc/16/62/47/979166247.db2.gz BZNJGBPRIOZUCO-CHWSQXEVSA-N -1 3 315.369 3.209 20 10 DGCDHM CC[C@](C[NH2+]Cc1ccc(C)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595167994 979726142 /nfs/dbraw/zinc/72/61/42/979726142.db2.gz JIHWXPUSEGNIDH-LJQANCHMSA-N -1 3 313.397 3.223 20 10 DGCDHM CCc1cnc(CC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])s1 ZINC001597627060 988580730 /nfs/dbraw/zinc/58/07/30/988580730.db2.gz ANTAMDHOYCBMJO-SNVBAGLBSA-N -1 3 320.414 3.003 20 10 DGCDHM C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593239923 994425795 /nfs/dbraw/zinc/42/57/95/994425795.db2.gz IJGUJVIWNLWLHI-GFCCVEGCSA-N -1 3 321.417 3.072 20 10 DGCDHM C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1cc(C(=O)[O-])ccc1[O-] ZINC001593241173 994436142 /nfs/dbraw/zinc/43/61/42/994436142.db2.gz WMPJWHNSPUYXLP-SECBINFHSA-N -1 3 301.333 3.422 20 10 DGCDHM CC[C@H]1COCCN1Cc1cc(Br)c(C)cc1[O-] ZINC001237682361 1090317014 /nfs/dbraw/zinc/31/70/14/1090317014.db2.gz RCZMIYHMDPBGDG-LBPRGKRZSA-N -1 3 314.223 3.074 20 10 DGCDHM C[C@H](NCc1ccc(Br)cc1[O-])c1cscn1 ZINC000691439032 1081715618 /nfs/dbraw/zinc/71/56/18/1081715618.db2.gz AHZXPMOBQAVZAA-QMMMGPOBSA-N -1 3 313.220 3.462 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1[C@@H](C(F)(F)F)CCC[C@H]1CO ZINC001203651667 1084736415 /nfs/dbraw/zinc/73/64/15/1084736415.db2.gz SBDBOSBDVKUGOU-WCQYABFASA-N -1 3 323.742 3.323 20 10 DGCDHM [O-]c1c(CNc2ccncc2F)cc(Cl)c2cccnc12 ZINC001168521682 1088525401 /nfs/dbraw/zinc/52/54/01/1088525401.db2.gz GMUWBXYIQCDNBB-UHFFFAOYSA-N -1 3 303.724 3.162 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCCC[C@](O)(CF)C1 ZINC001236794926 1089894587 /nfs/dbraw/zinc/89/45/87/1089894587.db2.gz WWCHYSKABUISJV-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM Cc1ncc(F)c(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001157724687 1090088885 /nfs/dbraw/zinc/08/88/85/1090088885.db2.gz SNFZJHVTVOWOCS-UHFFFAOYSA-N -1 3 318.739 3.443 20 10 DGCDHM CCOCC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1 ZINC001237800522 1090326359 /nfs/dbraw/zinc/32/63/59/1090326359.db2.gz AAJQCVXCUAAOCH-UHFFFAOYSA-N -1 3 301.789 3.433 20 10 DGCDHM COc1cc(C)c(NC(=O)NCc2c([O-])cccc2F)cc1F ZINC001203541241 1090750974 /nfs/dbraw/zinc/75/09/74/1090750974.db2.gz UTAPZTQNVPMQSK-UHFFFAOYSA-N -1 3 322.311 3.309 20 10 DGCDHM [O-]c1c(F)ccc(F)c1CN1CCC[C@H](Oc2ccncc2)C1 ZINC001139688865 1091643114 /nfs/dbraw/zinc/64/31/14/1091643114.db2.gz CAMOIBNTPRNNKO-ZDUSSCGKSA-N -1 3 320.339 3.109 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1c(F)cc(F)cc1F ZINC001207502158 1091993852 /nfs/dbraw/zinc/99/38/52/1091993852.db2.gz QLDNPUNAORPTCU-UHFFFAOYSA-N -1 3 303.230 3.378 20 10 DGCDHM O=C(NC1(c2ccccc2F)CCC1)c1cccc(O)c1[O-] ZINC001143168269 1092626417 /nfs/dbraw/zinc/62/64/17/1092626417.db2.gz BCDUFHXJSNEXLW-UHFFFAOYSA-N -1 3 301.317 3.046 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1nc2ccccc2s1 ZINC001214141091 1093721169 /nfs/dbraw/zinc/72/11/69/1093721169.db2.gz RINSWXPTPNEGQD-UHFFFAOYSA-N -1 3 317.345 3.463 20 10 DGCDHM COc1cc(F)c(-c2noc(-c3cccc(O)c3[O-])n2)cc1F ZINC001215146001 1093926793 /nfs/dbraw/zinc/92/67/93/1093926793.db2.gz WHYVFQWIYCGTJQ-UHFFFAOYSA-N -1 3 320.251 3.102 20 10 DGCDHM Cc1cccnc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216953966 1094283274 /nfs/dbraw/zinc/28/32/74/1094283274.db2.gz LLRMDXOGSYMVPD-UHFFFAOYSA-N -1 3 303.705 3.172 20 10 DGCDHM CCCOc1cc(C)ccc1NC(=O)c1cccc(O)c1[O-] ZINC001136316112 1094986133 /nfs/dbraw/zinc/98/61/33/1094986133.db2.gz RTJARVBNILEWGA-UHFFFAOYSA-N -1 3 301.342 3.447 20 10 DGCDHM C[C@@H](NCc1cccc(Br)c1[O-])c1cscn1 ZINC000697936652 1095053053 /nfs/dbraw/zinc/05/30/53/1095053053.db2.gz SWGXECUOKXCIPB-MRVPVSSYSA-N -1 3 313.220 3.462 20 10 DGCDHM C[C@@H](CCc1ccccc1)NC(=O)NCc1c([O-])cccc1F ZINC001220549717 1095111837 /nfs/dbraw/zinc/11/18/37/1095111837.db2.gz RWCBLQKEVSLPOY-ZDUSSCGKSA-N -1 3 316.376 3.352 20 10 DGCDHM [O-]c1c(O)cccc1-c1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000318515631 1095329652 /nfs/dbraw/zinc/32/96/52/1095329652.db2.gz YTNOYRNWTUKUMT-UHFFFAOYSA-N -1 3 308.215 3.232 20 10 DGCDHM [O-]c1cccc(F)c1CN1CCN(c2ccc(F)cc2F)CC1 ZINC001137839198 1095760511 /nfs/dbraw/zinc/76/05/11/1095760511.db2.gz VVKGDAJHJKIGSB-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM C[C@]1(c2ccc(F)cc2)CN(Cc2c([O-])cccc2F)CCO1 ZINC001137839126 1095760781 /nfs/dbraw/zinc/76/07/81/1095760781.db2.gz SJENLSSJOJMIPZ-GOSISDBHSA-N -1 3 319.351 3.418 20 10 DGCDHM [O-]c1c(F)cccc1CN1CCN(c2ccc(F)c(F)c2)CC1 ZINC001138122644 1095894783 /nfs/dbraw/zinc/89/47/83/1095894783.db2.gz RRELTGOVCTWMJY-UHFFFAOYSA-N -1 3 322.330 3.132 20 10 DGCDHM [O-]c1c(F)cccc1CN1CC[C@H]1COCc1ccccc1 ZINC001138127776 1095899891 /nfs/dbraw/zinc/89/98/91/1095899891.db2.gz PIEWJHZLLJXKCH-INIZCTEOSA-N -1 3 301.361 3.322 20 10 DGCDHM COc1cccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)c1 ZINC001224159451 1096149896 /nfs/dbraw/zinc/14/98/96/1096149896.db2.gz GDVSSFRYLGWQJR-NSHDSACASA-N -1 3 318.348 3.100 20 10 DGCDHM Cc1cc([C@@H](C)NC(=O)NCc2c([O-])cccc2F)c(C)o1 ZINC001341416594 1096172013 /nfs/dbraw/zinc/17/20/13/1096172013.db2.gz YVAIIRFCMSEFEO-SNVBAGLBSA-N -1 3 306.337 3.302 20 10 DGCDHM O=C(Nc1ccccc1-c1nccs1)c1cccc(O)c1[O-] ZINC001148219175 1096328342 /nfs/dbraw/zinc/32/83/42/1096328342.db2.gz VTLFNHHDKHEWSQ-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM Cc1[nH]c2c(cccc2NC(=O)c2cc(O)c([O-])c(O)c2)c1C ZINC001148585898 1096407232 /nfs/dbraw/zinc/40/72/32/1096407232.db2.gz DBCCJYBCUPDJGN-UHFFFAOYSA-N -1 3 312.325 3.154 20 10 DGCDHM CC[C@@H](COc1c(O)c([O-])ccc1C(=O)c1ccccc1)OC ZINC001227939907 1097017465 /nfs/dbraw/zinc/01/74/65/1097017465.db2.gz FUHNWIAFDBQRJJ-ZDUSSCGKSA-N -1 3 316.353 3.133 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001231565357 1097780476 /nfs/dbraw/zinc/78/04/76/1097780476.db2.gz UGDFJBQSEKYQBR-ZDUSSCGKSA-N -1 3 315.344 3.219 20 10 DGCDHM O=C([O-])c1ccc([O-])c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001231565357 1097780480 /nfs/dbraw/zinc/78/04/80/1097780480.db2.gz UGDFJBQSEKYQBR-ZDUSSCGKSA-N -1 3 315.344 3.219 20 10 DGCDHM CN(Cc1cnc2ccccn12)Cc1cccc(Cl)c1[O-] ZINC001231910888 1097891238 /nfs/dbraw/zinc/89/12/38/1097891238.db2.gz VHIMLSLFZLIEHC-UHFFFAOYSA-N -1 3 301.777 3.325 20 10 DGCDHM CCc1nnc(C2CCN(Cc3cccc(Cl)c3[O-])CC2)o1 ZINC001231912580 1097891307 /nfs/dbraw/zinc/89/13/07/1097891307.db2.gz PIQLIKIVIYGAJD-UHFFFAOYSA-N -1 3 321.808 3.371 20 10 DGCDHM Cc1nc2c(s1)CN(Cc1cc(Cl)c([O-])cc1O)CC2 ZINC001232264349 1097984398 /nfs/dbraw/zinc/98/43/98/1097984398.db2.gz AHRCSDHRUGHSDW-UHFFFAOYSA-N -1 3 310.806 3.074 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1Cl ZINC001232266958 1097986478 /nfs/dbraw/zinc/98/64/78/1097986478.db2.gz TWDYVTAGRBOMHC-OCCSQVGLSA-N -1 3 323.820 3.388 20 10 DGCDHM [O-]c1c(CN2CCC[C@H](Oc3ccncc3)C2)ccc(F)c1F ZINC001233080201 1098221498 /nfs/dbraw/zinc/22/14/98/1098221498.db2.gz SECOVHYJSCGRJP-AWEZNQCLSA-N -1 3 320.339 3.109 20 10 DGCDHM CN1CCN(Cc2c([O-])ccc(F)c2F)C[C@@H]1c1ccccc1 ZINC001233334594 1098292344 /nfs/dbraw/zinc/29/23/44/1098292344.db2.gz MWHFRBQNCRKETC-MRXNPFEDSA-N -1 3 318.367 3.159 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001233334566 1098293298 /nfs/dbraw/zinc/29/32/98/1098293298.db2.gz LYCJCACPLODIKT-CYBMUJFWSA-N -1 3 323.314 3.463 20 10 DGCDHM CN(Cc1c([O-])ccc(F)c1F)C[C@@H]1Cc2ccccc2O1 ZINC001233336325 1098294625 /nfs/dbraw/zinc/29/46/25/1098294625.db2.gz HRVDEFMDICRAIO-LBPRGKRZSA-N -1 3 305.324 3.106 20 10 DGCDHM O=c1[nH]ccc2c1CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233418960 1098325494 /nfs/dbraw/zinc/32/54/94/1098325494.db2.gz DGDGMDNFTCBJCQ-UHFFFAOYSA-N -1 3 324.302 3.070 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1Br ZINC001178409241 1098826066 /nfs/dbraw/zinc/82/60/66/1098826066.db2.gz BMVVYMYAEGMMLJ-UHFFFAOYSA-N -1 3 324.149 3.224 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@H]2c2cnccn2)c(Cl)c1 ZINC001236800867 1099793495 /nfs/dbraw/zinc/79/34/95/1099793495.db2.gz BWJGHEYWBFUBPJ-HNNXBMFYSA-N -1 3 319.792 3.181 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC2(CCO2)CC1 ZINC001236799583 1099794283 /nfs/dbraw/zinc/79/42/83/1099794283.db2.gz PDHNPMWTDVZLIY-UHFFFAOYSA-N -1 3 302.201 3.454 20 10 DGCDHM [O-]c1ccc(F)c(Cl)c1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001237131987 1099985988 /nfs/dbraw/zinc/98/59/88/1099985988.db2.gz ZXSMMENZAWEFCK-ZDUSSCGKSA-N -1 3 321.726 3.185 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@H](C)OC[C@H]2C)cc1Br ZINC001237680248 1100212552 /nfs/dbraw/zinc/21/25/52/1100212552.db2.gz AYFAPCCEKBXFTB-GHMZBOCLSA-N -1 3 314.223 3.072 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC(C1CCC1)C1CCC1 ZINC001248571432 1105129877 /nfs/dbraw/zinc/12/98/77/1105129877.db2.gz SQOPTNXKJZBPHU-UHFFFAOYSA-N -1 3 306.381 3.299 20 10 DGCDHM CC(C)(C)c1cc([O-])c(CN2CCCC[C@@H]2C(N)=O)cc1Cl ZINC001248884182 1105186788 /nfs/dbraw/zinc/18/67/88/1105186788.db2.gz YWAKFHPABAXMKC-CQSZACIVSA-N -1 3 324.852 3.183 20 10 DGCDHM CCOCc1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC001320066457 1106834657 /nfs/dbraw/zinc/83/46/57/1106834657.db2.gz VYGRELAMNSETJU-UHFFFAOYSA-N -1 3 301.342 3.195 20 10 DGCDHM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001259090864 1107075865 /nfs/dbraw/zinc/07/58/65/1107075865.db2.gz BLQQFJSHECQMFW-UHFFFAOYSA-N -1 3 313.325 3.088 20 10 DGCDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)c(C)c1 ZINC001259101083 1107078151 /nfs/dbraw/zinc/07/81/51/1107078151.db2.gz MLAKNALMQKFFJW-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C)c2C)ccc1O ZINC001260998452 1107339905 /nfs/dbraw/zinc/33/99/05/1107339905.db2.gz PGMSMVAPOJYVHP-UHFFFAOYSA-N -1 3 319.382 3.012 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(-c3ccon3)cc2)c([O-])c1O ZINC001303966817 1111158373 /nfs/dbraw/zinc/15/83/73/1111158373.db2.gz JMHZPGGTPHQGEV-UHFFFAOYSA-N -1 3 310.309 3.314 20 10 DGCDHM Cn1cc(Cl)c(CNCc2ccc3ccccc3c2[O-])n1 ZINC001308774960 1111473523 /nfs/dbraw/zinc/47/35/23/1111473523.db2.gz WYFVLRNNAINONK-UHFFFAOYSA-N -1 3 301.777 3.222 20 10 DGCDHM Cc1ncc(CNCc2cc(Br)ccc2[O-])s1 ZINC000105448553 194104799 /nfs/dbraw/zinc/10/47/99/194104799.db2.gz BMNQTLLJRFDKOX-UHFFFAOYSA-N -1 3 313.220 3.209 20 10 DGCDHM COc1c([O-])c(CN2CC3(C2)CCCCC3)ccc1[N+](=O)[O-] ZINC000297421110 533441465 /nfs/dbraw/zinc/44/14/65/533441465.db2.gz MKAKJTNZQKTYIZ-UHFFFAOYSA-N -1 3 306.362 3.075 20 10 DGCDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2ccsc2)c([O-])c1O ZINC000272854705 130069888 /nfs/dbraw/zinc/06/98/88/130069888.db2.gz TVWBUBHFHPPUME-CYBMUJFWSA-N -1 3 303.383 3.445 20 10 DGCDHM COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1C ZINC000273364233 130111603 /nfs/dbraw/zinc/11/16/03/130111603.db2.gz AZZPDFLFYSWRLD-GFCCVEGCSA-N -1 3 316.357 3.468 20 10 DGCDHM Cc1nc(C)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273611048 130143675 /nfs/dbraw/zinc/14/36/75/130143675.db2.gz VWCGMDUPOCSVQY-MRVPVSSYSA-N -1 3 307.375 3.225 20 10 DGCDHM CC[C@@H](N[C@@H](CO)c1c(F)cccc1F)c1ccccc1[O-] ZINC000274934486 130274912 /nfs/dbraw/zinc/27/49/12/130274912.db2.gz RPLAWHRNYFZNHK-CABCVRRESA-N -1 3 307.340 3.445 20 10 DGCDHM C[C@H](c1ccccc1)N(Cc1cnn(C)n1)Cc1ccccc1[O-] ZINC000289412216 131384721 /nfs/dbraw/zinc/38/47/21/131384721.db2.gz UZPSUMQZEIMDBL-OAHLLOKOSA-N -1 3 322.412 3.284 20 10 DGCDHM C[C@@H](c1ccccc1)N(CC(=O)N1CCC1)Cc1ccccc1[O-] ZINC000271995581 287146127 /nfs/dbraw/zinc/14/61/27/287146127.db2.gz HBAURLQYCVUUJR-INIZCTEOSA-N -1 3 324.424 3.188 20 10 DGCDHM C[C@@H](c1nc(-c2cccnc2)no1)N(C)Cc1ccccc1[O-] ZINC000112981660 431319463 /nfs/dbraw/zinc/31/94/63/431319463.db2.gz ZQQRMFDAQMKRDK-LBPRGKRZSA-N -1 3 310.357 3.030 20 10 DGCDHM CN(Cc1noc(C2CCCCC2)n1)Cc1ccccc1[O-] ZINC000121145165 431748098 /nfs/dbraw/zinc/74/80/98/431748098.db2.gz IRKXOLCNBZTZFF-UHFFFAOYSA-N -1 3 301.390 3.455 20 10 DGCDHM COc1ccc([C@@H](CO)N(C)Cc2c([O-])cccc2Cl)cc1 ZINC000126422006 431949556 /nfs/dbraw/zinc/94/95/56/431949556.db2.gz WYLVGWGBEKYZQY-MRXNPFEDSA-N -1 3 321.804 3.220 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2cnn(C)c2C)c1[O-] ZINC000183360886 432286684 /nfs/dbraw/zinc/28/66/84/432286684.db2.gz WPPYGIZSXYANFK-VIFPVBQESA-N -1 3 321.808 3.141 20 10 DGCDHM CCCCNC(=O)C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271094897 432328108 /nfs/dbraw/zinc/32/81/08/432328108.db2.gz YDWZGFGVKLSUTC-UHFFFAOYSA-N -1 3 324.852 3.174 20 10 DGCDHM CC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])[C@@H](C)C1 ZINC000271173734 432343926 /nfs/dbraw/zinc/34/39/26/432343926.db2.gz IRRZOYMYPLZWHQ-HNNXBMFYSA-N -1 3 324.424 3.112 20 10 DGCDHM C[C@H](NCc1cnn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192720982 432404863 /nfs/dbraw/zinc/40/48/63/432404863.db2.gz RJCXILQNYFWRML-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM CCN(C(=O)c1cccc(O)c1[O-])[C@H](C)c1cccc(OC)c1 ZINC000193094070 432449009 /nfs/dbraw/zinc/44/90/09/432449009.db2.gz ADVJFHOGMRHLNZ-GFCCVEGCSA-N -1 3 315.369 3.330 20 10 DGCDHM COc1cccc(CN[C@@H](C)c2ccc(F)cc2[O-])c1OC ZINC000185076839 432463007 /nfs/dbraw/zinc/46/30/07/432463007.db2.gz ZBNZLUWKEPXGTH-NSHDSACASA-N -1 3 305.349 3.399 20 10 DGCDHM COc1cccc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000186835460 432633676 /nfs/dbraw/zinc/63/36/76/432633676.db2.gz SXRWVMUWVQEGIY-HNNXBMFYSA-N -1 3 313.353 3.084 20 10 DGCDHM CCCN(CCc1cccc(F)c1)C(=O)c1cccc(O)c1[O-] ZINC000187093362 432644260 /nfs/dbraw/zinc/64/42/60/432644260.db2.gz PLZMEFKEMXKXIA-UHFFFAOYSA-N -1 3 317.360 3.332 20 10 DGCDHM CC[C@@H]1c2ccsc2CCN1C(=O)c1cccc(O)c1[O-] ZINC000187073260 432644834 /nfs/dbraw/zinc/64/48/34/432644834.db2.gz PYNSHEUDZGDFGU-GFCCVEGCSA-N -1 3 303.383 3.309 20 10 DGCDHM Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)c([O-])c1O ZINC000276160946 432778021 /nfs/dbraw/zinc/77/80/21/432778021.db2.gz FQADXFHLZNZNGM-SNVBAGLBSA-N -1 3 317.307 3.209 20 10 DGCDHM CC[C@@H](NCc1nnc(C2CC2)[nH]1)c1cccc(Cl)c1[O-] ZINC000296241640 432887930 /nfs/dbraw/zinc/88/79/30/432887930.db2.gz CNINCCYERADRSD-GFCCVEGCSA-N -1 3 306.797 3.282 20 10 DGCDHM CC[C@@H]([NH2+]Cc1nnc(C2CC2)[n-]1)c1cccc(Cl)c1[O-] ZINC000296241640 432887933 /nfs/dbraw/zinc/88/79/33/432887933.db2.gz CNINCCYERADRSD-GFCCVEGCSA-N -1 3 306.797 3.282 20 10 DGCDHM CCn1cnnc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278323655 432890715 /nfs/dbraw/zinc/89/07/15/432890715.db2.gz VHRYZBUUGYUFGA-QMMMGPOBSA-N -1 3 315.204 3.161 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000289721565 432973840 /nfs/dbraw/zinc/97/38/40/432973840.db2.gz JRAFFRCNDZSJDC-DOTOQJQBSA-N -1 3 321.392 3.123 20 10 DGCDHM CCCCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000279939446 432997262 /nfs/dbraw/zinc/99/72/62/432997262.db2.gz QZFBOENIMXJVIZ-UHFFFAOYSA-N -1 3 310.781 3.000 20 10 DGCDHM O=C1N=C(N2CCCCC2)S/C1=C\c1c(F)ccc([O-])c1F ZINC000280085906 433001609 /nfs/dbraw/zinc/00/16/09/433001609.db2.gz RYNHBZDZAQNDNH-WQLSENKSSA-N -1 3 324.352 3.127 20 10 DGCDHM CCOCc1nc([C@@H](C)N[C@H](CC)c2ccc(C)cc2[O-])no1 ZINC000290183163 433008507 /nfs/dbraw/zinc/00/85/07/433008507.db2.gz NSGXJGGFGNQJBD-TZMCWYRMSA-N -1 3 319.405 3.422 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000375333998 433431551 /nfs/dbraw/zinc/43/15/51/433431551.db2.gz AYWFQAOLQHAIGB-HOTGVXAUSA-N -1 3 323.820 3.392 20 10 DGCDHM CO[C@H]1CCN(Cc2cc(Br)ccc2[O-])[C@H](C)C1 ZINC000282371593 433584626 /nfs/dbraw/zinc/58/46/26/433584626.db2.gz QHTDCJBPYCYUML-MFKMUULPSA-N -1 3 314.223 3.154 20 10 DGCDHM COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273447791 293157866 /nfs/dbraw/zinc/15/78/66/293157866.db2.gz FLNOIHAAEABZBF-LRDDRELGSA-N -1 3 316.357 3.339 20 10 DGCDHM COCCN(Cc1cccnc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000293816308 433881142 /nfs/dbraw/zinc/88/11/42/433881142.db2.gz FMDDQUWQPNZDGC-UHFFFAOYSA-N -1 3 324.783 3.228 20 10 DGCDHM CCC[C@@]1(CO)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000377836110 434013442 /nfs/dbraw/zinc/01/34/42/434013442.db2.gz YYZRVNIYOSHZOQ-OAHLLOKOSA-N -1 3 301.789 3.169 20 10 DGCDHM Cc1cc(C)c([C@@H](C)NCc2ncn(-c3ccccc3)n2)c([O-])c1 ZINC000295026587 434160293 /nfs/dbraw/zinc/16/02/93/434160293.db2.gz OCVOXCOOTIRNDF-OAHLLOKOSA-N -1 3 322.412 3.441 20 10 DGCDHM O=C1CCCCN1[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000364069017 434223073 /nfs/dbraw/zinc/22/30/73/434223073.db2.gz FMEKBIJBXFZNBA-CQSZACIVSA-N -1 3 322.836 3.023 20 10 DGCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365260153 434296967 /nfs/dbraw/zinc/29/69/67/434296967.db2.gz SNJAXTBBISBYLG-SNVBAGLBSA-N -1 3 309.772 3.287 20 10 DGCDHM COc1ccc(CN(C)Cc2c([O-])cccc2Cl)cc1O ZINC000131302720 524004887 /nfs/dbraw/zinc/00/48/87/524004887.db2.gz DVXVRHAVUZLETI-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM COc1ccc(OC)c(CNCc2c([O-])cccc2Cl)c1 ZINC000264999346 524836880 /nfs/dbraw/zinc/83/68/80/524836880.db2.gz ZDFQAOWEGWFPPC-UHFFFAOYSA-N -1 3 307.777 3.353 20 10 DGCDHM C[C@H](NCc1cccc2c1OCO2)c1ccc(F)c(F)c1[O-] ZINC000191213232 525460347 /nfs/dbraw/zinc/46/03/47/525460347.db2.gz WIFFEVQBARFODK-VIFPVBQESA-N -1 3 307.296 3.250 20 10 DGCDHM Cc1ccc(C(=O)N2CCC(OCCC(C)C)CC2)c([O-])c1O ZINC000182105654 526083782 /nfs/dbraw/zinc/08/37/82/526083782.db2.gz CDFJBJZLHNBETK-UHFFFAOYSA-N -1 3 321.417 3.074 20 10 DGCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])[C@H]1c1cccs1 ZINC000288477621 535350591 /nfs/dbraw/zinc/35/05/91/535350591.db2.gz CDRXUSWFOKHQKL-AWEZNQCLSA-N -1 3 303.383 3.383 20 10 DGCDHM CC[C@H]1CCCCN1C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000731843843 574560360 /nfs/dbraw/zinc/56/03/60/574560360.db2.gz YVBWQPVYNJWWJL-HOCLYGCPSA-N -1 3 304.434 3.004 20 10 DGCDHM COc1ccc(C2(NCc3cc([N+](=O)[O-])ccc3[O-])CC2)cc1 ZINC000731678623 574556819 /nfs/dbraw/zinc/55/68/19/574556819.db2.gz SZTPLGATJJCIHR-UHFFFAOYSA-N -1 3 314.341 3.088 20 10 DGCDHM O=C(NCCCCOc1ccc(F)cc1)c1cc([O-])cs1 ZINC000731868694 574561454 /nfs/dbraw/zinc/56/14/54/574561454.db2.gz PJABUDZUVQBESR-UHFFFAOYSA-N -1 3 309.362 3.182 20 10 DGCDHM COc1cc(F)cc2sc(NC(=O)c3cc([O-])cs3)nc21 ZINC000732287688 574570978 /nfs/dbraw/zinc/57/09/78/574570978.db2.gz ZQTOFIUZYXQRFL-UHFFFAOYSA-N -1 3 324.358 3.463 20 10 DGCDHM C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000732275824 574569811 /nfs/dbraw/zinc/56/98/11/574569811.db2.gz CJCQNSZZZFFSDW-JSGCOSHPSA-N -1 3 316.426 3.019 20 10 DGCDHM O=C(NCc1cccc(OCC(F)F)c1)c1cc([O-])cs1 ZINC000732282358 574570442 /nfs/dbraw/zinc/57/04/42/574570442.db2.gz MSZGUWYYLBEPSG-UHFFFAOYSA-N -1 3 313.325 3.028 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cc([O-])cs1 ZINC000732282529 574570584 /nfs/dbraw/zinc/57/05/84/574570584.db2.gz PVGKELFEIGTALO-HIFRSBDPSA-N -1 3 303.383 3.104 20 10 DGCDHM Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cs2)c1C ZINC000732353996 574572213 /nfs/dbraw/zinc/57/22/13/574572213.db2.gz MSQQTUDUNHOCDV-LLVKDONJSA-N -1 3 319.382 3.255 20 10 DGCDHM CCO[C@H](C)c1nc(COC(=O)c2cc([O-])cs2)cs1 ZINC000736824412 574808044 /nfs/dbraw/zinc/80/80/44/574808044.db2.gz JCQCNNCUPIIDDD-MRVPVSSYSA-N -1 3 313.400 3.365 20 10 DGCDHM C[C@H]1CN(C(=O)c2cc([O-])cs2)C[C@@H](c2ccc(F)cc2)O1 ZINC000743637681 575059664 /nfs/dbraw/zinc/05/96/64/575059664.db2.gz LYELGQOZFWEHFK-HZMBPMFUSA-N -1 3 321.373 3.195 20 10 DGCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1nc(-c2ccccc2)no1 ZINC000745001878 575368649 /nfs/dbraw/zinc/36/86/49/575368649.db2.gz DJXMZLINFACRNL-VIFPVBQESA-N -1 3 316.338 3.422 20 10 DGCDHM CO[C@H](C)CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000750048980 575699746 /nfs/dbraw/zinc/69/97/46/575699746.db2.gz QIBBKYXSNNDUTF-LLVKDONJSA-N -1 3 313.825 3.494 20 10 DGCDHM CCCCCN(CCO)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750047397 575700120 /nfs/dbraw/zinc/70/01/20/575700120.db2.gz PSGWXBIOYHYGBK-UHFFFAOYSA-N -1 3 313.825 3.233 20 10 DGCDHM CCOc1cccc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000751536561 575789780 /nfs/dbraw/zinc/78/97/80/575789780.db2.gz ZEOIQFCYOVGKIA-LBPRGKRZSA-N -1 3 315.369 3.296 20 10 DGCDHM O=C(OCc1ccn(-c2ccc(F)cc2)n1)c1cc([O-])cs1 ZINC000745002788 575944513 /nfs/dbraw/zinc/94/45/13/575944513.db2.gz QWMAFOQYQMPWNU-UHFFFAOYSA-N -1 3 318.329 3.136 20 10 DGCDHM [O-]c1c(Cl)cccc1CN1CCc2nc[nH]c2C12CCC2 ZINC000895069331 618526154 /nfs/dbraw/zinc/52/61/54/618526154.db2.gz WRCQUMRNKSJVOS-UHFFFAOYSA-N -1 3 303.793 3.206 20 10 DGCDHM CO[C@]1(C(F)(F)F)CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000895577450 618801268 /nfs/dbraw/zinc/80/12/68/618801268.db2.gz KUNSPZMDWKCSDN-GFCCVEGCSA-N -1 3 309.715 3.199 20 10 DGCDHM [O-]c1c(F)cc(Cl)cc1CNCc1cnn(CC2CCC2)c1 ZINC000897431854 619118826 /nfs/dbraw/zinc/11/88/26/619118826.db2.gz IKFUXSGNTRAYFK-UHFFFAOYSA-N -1 3 323.799 3.471 20 10 DGCDHM C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841754145 619157753 /nfs/dbraw/zinc/15/77/53/619157753.db2.gz ZWQZDNSZCBLQAH-SNVBAGLBSA-N -1 3 308.813 3.243 20 10 DGCDHM Cn1nc(CNCc2cc(Cl)ccc2[O-])cc1C(F)(F)F ZINC000898023480 619206865 /nfs/dbraw/zinc/20/68/65/619206865.db2.gz YFLGBLJALCOPRY-UHFFFAOYSA-N -1 3 319.714 3.088 20 10 DGCDHM C[C@@H](NCc1cnn(CC2CCC2)c1)c1c([O-])cccc1F ZINC000903240621 619742884 /nfs/dbraw/zinc/74/28/84/619742884.db2.gz VUSXYZULLFTVIW-GFCCVEGCSA-N -1 3 303.381 3.379 20 10 DGCDHM Cc1cccc2nc(CNCc3c([O-])cccc3Cl)cn21 ZINC000113340692 620905024 /nfs/dbraw/zinc/90/50/24/620905024.db2.gz KCPZWWMONCBXQN-UHFFFAOYSA-N -1 3 301.777 3.292 20 10 DGCDHM C[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1CO ZINC000857062223 621052924 /nfs/dbraw/zinc/05/29/24/621052924.db2.gz ZCZGJLHJOUCBRJ-ONGXEEELSA-N -1 3 304.217 3.149 20 10 DGCDHM [O-]c1cccc(Br)c1CN(CC(F)F)C1CC1 ZINC000862241285 621566215 /nfs/dbraw/zinc/56/62/15/621566215.db2.gz ZEOBIBSQYQPQKI-UHFFFAOYSA-N -1 3 306.150 3.384 20 10 DGCDHM C[C@H]1CCN(Cc2c([O-])cccc2Br)C[C@@H]1F ZINC000862302133 621573314 /nfs/dbraw/zinc/57/33/14/621573314.db2.gz XFJZYEUWWDZTCH-CABZTGNLSA-N -1 3 302.187 3.335 20 10 DGCDHM Cc1ccncc1CN(C)Cc1c([O-])cccc1Br ZINC000862351605 621577031 /nfs/dbraw/zinc/57/70/31/621577031.db2.gz RMGQRWHGBLLKKZ-UHFFFAOYSA-N -1 3 321.218 3.490 20 10 DGCDHM [O-]c1c(Br)cccc1Cn1cnc2c1CCCC2 ZINC000862431886 621588734 /nfs/dbraw/zinc/58/87/34/621588734.db2.gz UZPHMQKGIKXABF-UHFFFAOYSA-N -1 3 307.191 3.278 20 10 DGCDHM C[C@H](NCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC000756673280 621657857 /nfs/dbraw/zinc/65/78/57/621657857.db2.gz XVSUQYUHQNCMMQ-JTQLQIEISA-N -1 3 317.301 3.059 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccccc2OC)c1 ZINC000756790617 621664870 /nfs/dbraw/zinc/66/48/70/621664870.db2.gz PLSHLWOSPAFCNK-NSHDSACASA-N -1 3 301.342 3.361 20 10 DGCDHM Cc1nc([C@H]2CCCCN2Cc2c([O-])cccc2Cl)no1 ZINC000768965457 622488563 /nfs/dbraw/zinc/48/85/63/622488563.db2.gz WBIIYPCBMMZNRN-CYBMUJFWSA-N -1 3 307.781 3.464 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C(F)(F)F)O1 ZINC000769498219 622534167 /nfs/dbraw/zinc/53/41/67/622534167.db2.gz SCWKDSQNQIFSAW-PRHODGIISA-N -1 3 309.715 3.197 20 10 DGCDHM Cc1nonc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000872135000 622827317 /nfs/dbraw/zinc/82/73/17/622827317.db2.gz BQZRFZKVQWMRAW-LURJTMIESA-N -1 3 302.161 3.241 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1ncn(-c2ccccc2)n1 ZINC000775175639 623237810 /nfs/dbraw/zinc/23/78/10/623237810.db2.gz JZNLOZSOAOZEBK-UHFFFAOYSA-N -1 3 300.749 3.238 20 10 DGCDHM O=C(NCc1ccc(Cl)cc1Cl)c1cccc(O)c1[O-] ZINC000776312635 623410640 /nfs/dbraw/zinc/41/06/40/623410640.db2.gz JOXUAVDTLPXPTO-UHFFFAOYSA-N -1 3 312.152 3.335 20 10 DGCDHM O=C(Nc1ncc(-c2ccccc2)s1)c1cccc(O)c1[O-] ZINC000776331390 623412905 /nfs/dbraw/zinc/41/29/05/623412905.db2.gz VHKVWRSZSCVOEZ-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM CC(C)N(C)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1F ZINC000776341405 623414172 /nfs/dbraw/zinc/41/41/72/623414172.db2.gz QGLTWFUJBMKHMU-UHFFFAOYSA-N -1 3 318.348 3.334 20 10 DGCDHM CC(C)(NC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC000776657710 623449599 /nfs/dbraw/zinc/44/95/99/623449599.db2.gz HEYAWHQRBKVJEE-UHFFFAOYSA-N -1 3 305.761 3.416 20 10 DGCDHM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776745308 623458981 /nfs/dbraw/zinc/45/89/81/623458981.db2.gz JJGXJHGNKDQYKT-UHFFFAOYSA-N -1 3 305.399 3.318 20 10 DGCDHM O=C(Nc1cccc(N2CCCCC2)c1)c1cccc(O)c1[O-] ZINC000790571163 625671648 /nfs/dbraw/zinc/67/16/48/625671648.db2.gz CTOLZLRQIZVSKF-UHFFFAOYSA-N -1 3 312.369 3.340 20 10 DGCDHM O=C(Nc1ccccc1)C1(NCc2cccc(Cl)c2[O-])CC1 ZINC000779226482 623745025 /nfs/dbraw/zinc/74/50/25/623745025.db2.gz SCHDANHSCFELDH-UHFFFAOYSA-N -1 3 316.788 3.307 20 10 DGCDHM O=C(Nc1ccc(OC2CCCC2)nc1)c1cccc(O)c1[O-] ZINC000790629990 625680044 /nfs/dbraw/zinc/68/00/44/625680044.db2.gz QZQMJIWSPQXMCK-UHFFFAOYSA-N -1 3 314.341 3.067 20 10 DGCDHM CC[C@H](C)c1nc([C@H](C)NCc2ccc(F)c(F)c2[O-])n[nH]1 ZINC000877475120 623899287 /nfs/dbraw/zinc/89/92/87/623899287.db2.gz MBJWBIMVHKMFAO-IUCAKERBSA-N -1 3 310.348 3.153 20 10 DGCDHM CC(C)(O)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000877753423 624019709 /nfs/dbraw/zinc/01/97/09/624019709.db2.gz DDTZLPLFHAGMFU-UHFFFAOYSA-N -1 3 301.789 3.168 20 10 DGCDHM CC(C)[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC000790778686 625696294 /nfs/dbraw/zinc/69/62/94/625696294.db2.gz KETNZPHJFBSSDJ-HNNXBMFYSA-N -1 3 303.333 3.364 20 10 DGCDHM CC(C)Cn1ncc(NC(=O)c2cccc(O)c2[O-])c1C(C)C ZINC000790911421 625714912 /nfs/dbraw/zinc/71/49/12/625714912.db2.gz ITZRWLWBPYHLHS-UHFFFAOYSA-N -1 3 317.389 3.326 20 10 DGCDHM Cc1oc2ccccc2c1CCNC(=O)c1cccc(O)c1[O-] ZINC000790939603 625718823 /nfs/dbraw/zinc/71/88/23/625718823.db2.gz VLHMRIJWSYIEKT-UHFFFAOYSA-N -1 3 311.337 3.125 20 10 DGCDHM O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(O)c1[O-] ZINC000788628435 625231720 /nfs/dbraw/zinc/23/17/20/625231720.db2.gz ZBHFJSWMZHTAQC-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM CCNc1cc(C)ccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000790976453 625727795 /nfs/dbraw/zinc/72/77/95/625727795.db2.gz QHXGBWDPAJLAJS-UHFFFAOYSA-N -1 3 300.358 3.399 20 10 DGCDHM COc1ccc2c(c1NC(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000791124894 625752881 /nfs/dbraw/zinc/75/28/81/625752881.db2.gz CAGXHYMZZXGDHI-UHFFFAOYSA-N -1 3 313.353 3.156 20 10 DGCDHM COCC[C@H](NCc1cc(F)cc(F)c1[O-])c1ccc(C)o1 ZINC000883083925 625920470 /nfs/dbraw/zinc/92/04/70/625920470.db2.gz CCCFYFDBGFDHBG-AWEZNQCLSA-N -1 3 311.328 3.439 20 10 DGCDHM C[C@H](O)[C@H](NCc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883157497 625946473 /nfs/dbraw/zinc/94/64/73/625946473.db2.gz AEBYVXNUVURICO-VFZGTOFNSA-N -1 3 311.303 3.021 20 10 DGCDHM CC[C@@H](NCc1csc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000796777054 626081509 /nfs/dbraw/zinc/08/15/09/626081509.db2.gz AIDMQXIXYQQVJE-CYBMUJFWSA-N -1 3 309.410 3.295 20 10 DGCDHM CC[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cc1[O-] ZINC000796926049 626096712 /nfs/dbraw/zinc/09/67/12/626096712.db2.gz NGGROQITNJEKBL-MRXNPFEDSA-N -1 3 314.360 3.380 20 10 DGCDHM O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cccc(O)c1[O-] ZINC000798024693 626189826 /nfs/dbraw/zinc/18/98/26/626189826.db2.gz YZAHKMWKOAGHTM-AULYBMBSSA-N -1 3 317.772 3.427 20 10 DGCDHM O=C1CCN1c1ccc(NCc2c([O-])cccc2Cl)cc1 ZINC000798502583 626221757 /nfs/dbraw/zinc/22/17/57/626221757.db2.gz RKKIVUUJSZZTCE-UHFFFAOYSA-N -1 3 302.761 3.394 20 10 DGCDHM CC[C@H](NC1(c2ncccn2)CCC1)c1ccc(F)cc1[O-] ZINC000883311513 626642333 /nfs/dbraw/zinc/64/23/33/626642333.db2.gz CGIFJZXFZGTPKP-AWEZNQCLSA-N -1 3 301.365 3.441 20 10 DGCDHM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1nnc2n1CCCCC2 ZINC000886500454 627153412 /nfs/dbraw/zinc/15/34/12/627153412.db2.gz WPOVCNZZINCYFJ-VXGBXAGGSA-N -1 3 318.396 3.261 20 10 DGCDHM C[C@H](NCc1cnn(CC(F)(F)F)c1)c1c([O-])cccc1F ZINC000886540691 627159419 /nfs/dbraw/zinc/15/94/19/627159419.db2.gz JGIIKNKFWPPRNA-VIFPVBQESA-N -1 3 317.286 3.141 20 10 DGCDHM C[C@@H](N[C@@H]1CCN(C2CCCCC2)C1=O)c1c([O-])cccc1F ZINC000886551596 627161691 /nfs/dbraw/zinc/16/16/91/627161691.db2.gz KOQNRYRESHWTLC-IUODEOHRSA-N -1 3 320.408 3.116 20 10 DGCDHM COc1nn(C)cc1N[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815619032 627691636 /nfs/dbraw/zinc/69/16/36/627691636.db2.gz AIKXVJYCBSYWQD-MRVPVSSYSA-N -1 3 315.295 3.326 20 10 DGCDHM O=[N+]([O-])c1ccccc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816535908 627804187 /nfs/dbraw/zinc/80/41/87/627804187.db2.gz FNXRKTRHOHBCEU-UHFFFAOYSA-N -1 3 310.712 3.383 20 10 DGCDHM COc1nc(C)cc(C)c1CNCc1cc(Cl)c(F)cc1[O-] ZINC000816546350 627804635 /nfs/dbraw/zinc/80/46/35/627804635.db2.gz HOBHQMVXSVWONZ-UHFFFAOYSA-N -1 3 324.783 3.495 20 10 DGCDHM CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000816560690 627808165 /nfs/dbraw/zinc/80/81/65/627808165.db2.gz XMVVMXNXNDFUIL-ABAIWWIYSA-N -1 3 315.816 3.414 20 10 DGCDHM CC(C)(C)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1O ZINC000816560692 627808186 /nfs/dbraw/zinc/80/81/86/627808186.db2.gz XMVVMXNXNDFUIL-NHYWBVRUSA-N -1 3 315.816 3.414 20 10 DGCDHM COC(=O)c1cnc([C@@H](C)N[C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000818355874 628017535 /nfs/dbraw/zinc/01/75/35/628017535.db2.gz KJRJERYOXDVQRX-DTWKUNHWSA-N -1 3 324.377 3.186 20 10 DGCDHM Cc1ccccc1CO[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC000928708180 628179863 /nfs/dbraw/zinc/17/98/63/628179863.db2.gz AUZCAQXCQOJOSL-ZDUSSCGKSA-N -1 3 317.360 3.061 20 10 DGCDHM O=C(CC[C@H]1CC1(Cl)Cl)NCc1c([O-])cccc1F ZINC000928709760 628180371 /nfs/dbraw/zinc/18/03/71/628180371.db2.gz FRDQBDSTNOPFHR-QMMMGPOBSA-N -1 3 306.164 3.122 20 10 DGCDHM CCn1ccnc1[C@H](C)NCc1cccc(Br)c1[O-] ZINC000825006183 628715337 /nfs/dbraw/zinc/71/53/37/628715337.db2.gz ZILJMXFOEKWCBS-JTQLQIEISA-N -1 3 324.222 3.222 20 10 DGCDHM Cc1noc([C@@H]2CCCN2Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825899767 628809320 /nfs/dbraw/zinc/80/93/20/628809320.db2.gz DVTFHMOBZHQXCQ-ZDUSSCGKSA-N -1 3 307.781 3.383 20 10 DGCDHM C[C@]1(F)CCCN(Cc2ccc(Br)cc2[O-])C1 ZINC000826030474 628821438 /nfs/dbraw/zinc/82/14/38/628821438.db2.gz ZMTONSZSIXPKKQ-ZDUSSCGKSA-N -1 3 302.187 3.479 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCOc2ccc(O)cc2C1 ZINC000827658108 628980732 /nfs/dbraw/zinc/98/07/32/628980732.db2.gz VJYXRGAJWZPAMF-UHFFFAOYSA-N -1 3 305.761 3.146 20 10 DGCDHM Cc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1O ZINC000829893434 629206444 /nfs/dbraw/zinc/20/64/44/629206444.db2.gz USKIALGBRREQKC-UHFFFAOYSA-N -1 3 319.382 3.043 20 10 DGCDHM CN(C)c1ccc(CN(C)Cc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000830830646 629309348 /nfs/dbraw/zinc/30/93/48/629309348.db2.gz KWAXZLATPLJQMU-UHFFFAOYSA-N -1 3 316.376 3.222 20 10 DGCDHM COc1ccc(O)c([C@H](C)N[C@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733972 629644358 /nfs/dbraw/zinc/64/43/58/629644358.db2.gz XDRUYMJIRQMTRK-WDEREUQCSA-N -1 3 319.357 3.412 20 10 DGCDHM COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733970 629644551 /nfs/dbraw/zinc/64/45/51/629644551.db2.gz XDRUYMJIRQMTRK-MNOVXSKESA-N -1 3 319.357 3.412 20 10 DGCDHM CCn1ccnc1CN[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000834880371 629796340 /nfs/dbraw/zinc/79/63/40/629796340.db2.gz WGNKSCSXLVYNHW-JTQLQIEISA-N -1 3 313.323 3.478 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840959650 630386489 /nfs/dbraw/zinc/38/64/89/630386489.db2.gz ZFBSDZUIIRGGOB-CJNGLKHVSA-N -1 3 321.779 3.493 20 10 DGCDHM CCN(Cc1occc1C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000840969699 630388683 /nfs/dbraw/zinc/38/86/83/630388683.db2.gz JOLWCAAOLZOYCV-UHFFFAOYSA-N -1 3 320.345 3.233 20 10 DGCDHM C[C@H]1[C@H](CO)CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000840978971 630390438 /nfs/dbraw/zinc/39/04/38/630390438.db2.gz QRIZFIGPTGFYMB-UWVGGRQHSA-N -1 3 304.217 3.292 20 10 DGCDHM C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000844934506 630991190 /nfs/dbraw/zinc/99/11/90/630991190.db2.gz NHMDEWAPMNVOHT-CXAGYDPISA-N -1 3 311.381 3.497 20 10 DGCDHM C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1cc(-c2ccccc2)ccc1[O-] ZINC000844934506 630991193 /nfs/dbraw/zinc/99/11/93/630991193.db2.gz NHMDEWAPMNVOHT-CXAGYDPISA-N -1 3 311.381 3.497 20 10 DGCDHM COc1ccc(O)c([C@H](C)NCc2c(F)ccc([O-])c2F)c1 ZINC000845971003 631204037 /nfs/dbraw/zinc/20/40/37/631204037.db2.gz GNNOILGHJFHOMJ-VIFPVBQESA-N -1 3 309.312 3.235 20 10 DGCDHM C[C@@H](O)[C@@H](NCc1cccc(Cl)c1[O-])c1ccccc1F ZINC000846017766 631206323 /nfs/dbraw/zinc/20/63/23/631206323.db2.gz PVDXCXIJOOMNQU-MEBBXXQBSA-N -1 3 309.768 3.396 20 10 DGCDHM C[C@H](O)[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1ccccc1F ZINC000846182956 631213907 /nfs/dbraw/zinc/21/39/07/631213907.db2.gz MLNQALDGMLFLKU-PSVSLLHZSA-N -1 3 307.340 3.443 20 10 DGCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCc2ccc(F)cc21 ZINC000846618329 631274767 /nfs/dbraw/zinc/27/47/67/631274767.db2.gz WIPPESFIGSVDIY-LLVKDONJSA-N -1 3 315.344 3.039 20 10 DGCDHM CC[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498828 632172536 /nfs/dbraw/zinc/17/25/36/632172536.db2.gz DQCRJYSSLHXFCY-JIMOISOXSA-N -1 3 306.797 3.384 20 10 DGCDHM CC[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cccc(Cl)c1[O-] ZINC000850498827 632172745 /nfs/dbraw/zinc/17/27/45/632172745.db2.gz DQCRJYSSLHXFCY-ICCXJUOJSA-N -1 3 306.797 3.384 20 10 DGCDHM O=C(N[C@H]1CCSc2ccc(F)cc21)c1cccc(O)c1[O-] ZINC000186801276 660575224 /nfs/dbraw/zinc/57/52/24/660575224.db2.gz HIHQWTJDRQSTRY-LBPRGKRZSA-N -1 3 319.357 3.204 20 10 DGCDHM CC[C@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)O1 ZINC000707140242 660887352 /nfs/dbraw/zinc/88/73/52/660887352.db2.gz OONJAKYWLBGTQH-QWRGUYRKSA-N -1 3 314.223 3.154 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccnn2[C@H](C)CC(C)C)c([O-])c1O ZINC000792803935 660985655 /nfs/dbraw/zinc/98/56/55/660985655.db2.gz XIBCWCTVQIZRGM-GFCCVEGCSA-N -1 3 317.389 3.462 20 10 DGCDHM O=C(N[C@H]1CCCc2ccc(F)cc21)c1cccc(O)c1[O-] ZINC000794058195 661066526 /nfs/dbraw/zinc/06/65/26/661066526.db2.gz AUJYYNGIEILYGZ-AWEZNQCLSA-N -1 3 301.317 3.044 20 10 DGCDHM CON(Cc1ccccc1Cl)C(=O)c1ccc(C)c(O)c1[O-] ZINC000794345073 661080001 /nfs/dbraw/zinc/08/00/01/661080001.db2.gz CNMYYBGEAJENML-UHFFFAOYSA-N -1 3 321.760 3.263 20 10 DGCDHM O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2)C1)c1cccc(O)c1[O-] ZINC000794279794 661076224 /nfs/dbraw/zinc/07/62/24/661076224.db2.gz KIIJSFBJMXFVPZ-TZMCWYRMSA-N -1 3 315.344 3.303 20 10 DGCDHM CCn1ncnc1CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000794832859 661108366 /nfs/dbraw/zinc/10/83/66/661108366.db2.gz CFXKMTZWDHSHSW-QMMMGPOBSA-N -1 3 315.204 3.161 20 10 DGCDHM COC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000307764781 655996645 /nfs/dbraw/zinc/99/66/45/655996645.db2.gz NSXJDAMYHGQMLV-AWEZNQCLSA-N -1 3 311.809 3.249 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](CF)C1 ZINC000715805937 661215072 /nfs/dbraw/zinc/21/50/72/661215072.db2.gz NDXGIUPRXLXJDC-MRVPVSSYSA-N -1 3 306.150 3.085 20 10 DGCDHM CCOc1ccccc1N(C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182903901 656108871 /nfs/dbraw/zinc/10/88/71/656108871.db2.gz UTVHTXHNNNPOOT-UHFFFAOYSA-N -1 3 301.342 3.082 20 10 DGCDHM O=C(NCC1(Sc2ccccc2)CC1)c1cccc(O)c1[O-] ZINC000188460425 656146362 /nfs/dbraw/zinc/14/63/62/656146362.db2.gz BTZIAVLELZKLOD-UHFFFAOYSA-N -1 3 315.394 3.153 20 10 DGCDHM C[C@H]1SCCN(Cc2cccc(Br)c2[O-])[C@H]1C ZINC000093501023 656356517 /nfs/dbraw/zinc/35/65/17/656356517.db2.gz MBRMPMYUBIWGCC-VHSXEESVSA-N -1 3 316.264 3.481 20 10 DGCDHM [O-]c1c(Cl)cc(Cl)cc1CN1CCN2CCCC[C@H]2C1 ZINC000250769898 660001018 /nfs/dbraw/zinc/00/10/18/660001018.db2.gz YTWKTWHUAFJPGA-ZDUSSCGKSA-N -1 3 315.244 3.369 20 10 DGCDHM CC(C)c1cnc(NC(=O)NCc2c([O-])cccc2F)s1 ZINC000931082720 661451031 /nfs/dbraw/zinc/45/10/31/661451031.db2.gz AZEITRAFRUABRF-UHFFFAOYSA-N -1 3 309.366 3.433 20 10 DGCDHM CCc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c([O-])c1 ZINC000188753850 661943416 /nfs/dbraw/zinc/94/34/16/661943416.db2.gz QMVWNMIUSCTWFE-UHFFFAOYSA-N -1 3 312.413 3.293 20 10 DGCDHM CSc1cc(C)ccc1CNC(=O)c1cccc(O)c1[O-] ZINC000193131932 662123574 /nfs/dbraw/zinc/12/35/74/662123574.db2.gz MYBYHBZHTJYLDO-UHFFFAOYSA-N -1 3 303.383 3.058 20 10 DGCDHM CC[C@@H]([NH2+]Cc1cccc(C)c1)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001590469787 1192512200 /nfs/dbraw/zinc/51/22/00/1192512200.db2.gz QXMXBTDYZSKLKY-MRXNPFEDSA-N -1 3 323.400 3.122 20 10 DGCDHM CCN(CC)c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001590689009 1192533789 /nfs/dbraw/zinc/53/37/89/1192533789.db2.gz KVTDQYSDWJMLNY-UHFFFAOYSA-N -1 3 322.416 3.325 20 10 DGCDHM CN1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1(C)C ZINC000211457856 1176083642 /nfs/dbraw/zinc/08/36/42/1176083642.db2.gz ARWJPEYKWROTNN-UHFFFAOYSA-N -1 3 303.233 3.225 20 10 DGCDHM Cc1cc(N(C)C)ccc1CN[C@H](C)c1cncc(C(=O)[O-])c1 ZINC001600236010 1192816363 /nfs/dbraw/zinc/81/63/63/1192816363.db2.gz FEIJNJXQRNVTIW-CYBMUJFWSA-N -1 3 313.401 3.005 20 10 DGCDHM Cc1ccc(NC(=S)NCc2ncccc2[O-])c(Cl)c1 ZINC001200342149 1180561785 /nfs/dbraw/zinc/56/17/85/1180561785.db2.gz BYCLCZLMKUJUPW-UHFFFAOYSA-N -1 3 307.806 3.236 20 10 DGCDHM CCN(CC)c1ccc(C=Cc2ccncc2-c2nnn[n-]2)cc1 ZINC001604288032 1193063939 /nfs/dbraw/zinc/06/39/39/1193063939.db2.gz HMQGMXWWAKMRFE-VMPITWQZSA-N -1 3 320.400 3.278 20 10 DGCDHM CCN(CC)c1ccc(C=Cc2ccncc2-c2nn[n-]n2)cc1 ZINC001604288032 1193063943 /nfs/dbraw/zinc/06/39/43/1193063943.db2.gz HMQGMXWWAKMRFE-VMPITWQZSA-N -1 3 320.400 3.278 20 10 DGCDHM C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001604326290 1193065275 /nfs/dbraw/zinc/06/52/75/1193065275.db2.gz GNKJTAZBQXQKSU-LRDDRELGSA-N -1 3 311.381 3.299 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)c1cc(C(=O)[O-])ccc1[O-] ZINC001604346883 1193067609 /nfs/dbraw/zinc/06/76/09/1193067609.db2.gz SZUZKMMNFBYOGF-GFCCVEGCSA-N -1 3 311.381 3.430 20 10 DGCDHM Cc1ccc(C(C)(C)C(=O)NCc2c([O-])cccc2F)cc1 ZINC001456093815 1182397035 /nfs/dbraw/zinc/39/70/35/1182397035.db2.gz OJJQZKJOFKFZER-UHFFFAOYSA-N -1 3 301.361 3.434 20 10 DGCDHM CO[C@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-])c1ccccc1 ZINC001606679246 1193202754 /nfs/dbraw/zinc/20/27/54/1193202754.db2.gz AYPMPCKJOVEYLU-SJKOYZFVSA-N -1 3 315.369 3.129 20 10 DGCDHM C[C@@](Cc1ccccc1)(NC(=O)c1cccc(O)c1[O-])C1CC1 ZINC001469072504 1183381714 /nfs/dbraw/zinc/38/17/14/1183381714.db2.gz FQLGTJILYYQBOT-IBGZPJMESA-N -1 3 311.381 3.239 20 10 DGCDHM Cc1ccc([C@H](NC(=O)c2cccc(O)c2[O-])C(F)(F)F)o1 ZINC001469541561 1183415946 /nfs/dbraw/zinc/41/59/46/1183415946.db2.gz GCSZBAXVQRSMLT-LBPRGKRZSA-N -1 3 315.247 3.033 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001471975711 1183604208 /nfs/dbraw/zinc/60/42/08/1183604208.db2.gz DSQKBLCLALNFBB-CHWSQXEVSA-N -1 3 303.308 3.090 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccccc1OC1CCC1 ZINC001471976127 1183604441 /nfs/dbraw/zinc/60/44/41/1183604441.db2.gz QZAUUESCRDTGAB-UHFFFAOYSA-N -1 3 315.344 3.393 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)NC[C@@H]1CCC=CCCC1 ZINC001479551341 1184267922 /nfs/dbraw/zinc/26/79/22/1184267922.db2.gz NTAAIOFABJGGMV-CYBMUJFWSA-N -1 3 306.381 3.467 20 10 DGCDHM C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1cc(C(=O)[O-])ccc1[O-] ZINC001609778740 1193355544 /nfs/dbraw/zinc/35/55/44/1193355544.db2.gz XOVKTELEQVZKEF-DOMZBBRYSA-N -1 3 321.417 3.072 20 10 DGCDHM CCCC(O)(CCC)C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001609958632 1193368031 /nfs/dbraw/zinc/36/80/31/1193368031.db2.gz SPKSEPVNWZTSCP-GFCCVEGCSA-N -1 3 309.406 3.072 20 10 DGCDHM COc1ccc(C[NH2+][C@H]2CCC[C@H](CCCC(=O)[O-])C2)c([O-])c1 ZINC001610335781 1193382902 /nfs/dbraw/zinc/38/29/02/1193382902.db2.gz LMPLJTYEBMCRDS-HIFRSBDPSA-N -1 3 321.417 3.304 20 10 DGCDHM O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC001610736681 1193405789 /nfs/dbraw/zinc/40/57/89/1193405789.db2.gz YOCJOGPZRURKAE-JKSUJKDBSA-N -1 3 303.402 3.248 20 10 DGCDHM O=C([O-])[C@H]1C[C@H](C2CCCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC001610736681 1193405793 /nfs/dbraw/zinc/40/57/93/1193405793.db2.gz YOCJOGPZRURKAE-JKSUJKDBSA-N -1 3 303.402 3.248 20 10 DGCDHM O=C([O-])c1cccc2nc(NCc3c(O)cccc3Cl)[nH]c21 ZINC001610849871 1193412927 /nfs/dbraw/zinc/41/29/27/1193412927.db2.gz FGEBZQVSPNWADY-UHFFFAOYSA-N -1 3 317.732 3.232 20 10 DGCDHM CCOc1ccc(N(CC)C(=O)c2cccc(O)c2[O-])cc1 ZINC001543404583 1188332098 /nfs/dbraw/zinc/33/20/98/1188332098.db2.gz MVIAGHBNBNDUEJ-UHFFFAOYSA-N -1 3 301.342 3.163 20 10 DGCDHM CCCN(Cc1ccc(F)cc1)C(=O)c1cccc(O)c1[O-] ZINC001543547747 1188340704 /nfs/dbraw/zinc/34/07/04/1188340704.db2.gz TVYQJRVRWAZUJW-UHFFFAOYSA-N -1 3 303.333 3.289 20 10 DGCDHM Cc1cccc(OCCC(=O)NCc2c([O-])cccc2F)c1C ZINC001558455719 1189126492 /nfs/dbraw/zinc/12/64/92/1189126492.db2.gz XJLWUYUJIWELJO-UHFFFAOYSA-N -1 3 317.360 3.233 20 10 DGCDHM C[S@](=O)(=NC(=O)c1cc([O-])cs1)c1cccc(Cl)c1 ZINC001558773874 1189147717 /nfs/dbraw/zinc/14/77/17/1189147717.db2.gz BENOOFGCUSXZCG-LJQANCHMSA-N -1 3 315.803 3.404 20 10 DGCDHM COc1ccc(F)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001562479665 1189482857 /nfs/dbraw/zinc/48/28/57/1189482857.db2.gz SGXAEGCOOJKCKW-UHFFFAOYSA-N -1 3 308.284 3.001 20 10 DGCDHM COc1ccc(N(C)Cc2nnc(-c3ccccc3[O-])o2)cc1 ZINC001619791611 1193761890 /nfs/dbraw/zinc/76/18/90/1193761890.db2.gz GETBGDCSGUEXHQ-UHFFFAOYSA-N -1 3 311.341 3.087 20 10 DGCDHM CN1CCN(Cc2cc(F)cc(F)c2[O-])[C@H](c2ccccc2)C1 ZINC001621112244 1193804150 /nfs/dbraw/zinc/80/41/50/1193804150.db2.gz ICFOQVVBHNBNFB-KRWDZBQOSA-N -1 3 318.367 3.159 20 10 DGCDHM CC(C)COc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001635361174 1194546691 /nfs/dbraw/zinc/54/66/91/1194546691.db2.gz YSFSPRADKWHBCQ-UHFFFAOYSA-N -1 3 317.360 3.496 20 10 DGCDHM CC1(C)Cc2cc(C(=O)NCc3c([O-])cccc3F)ccc2O1 ZINC001635366679 1194547298 /nfs/dbraw/zinc/54/72/98/1194547298.db2.gz HAWBMGGSHFNVJY-UHFFFAOYSA-N -1 3 315.344 3.175 20 10 DGCDHM COc1cc(Cl)c(F)cc1NC(=O)c1cccc(O)c1[O-] ZINC001635910958 1194579048 /nfs/dbraw/zinc/57/90/48/1194579048.db2.gz NTQIYMQCLZWMQK-UHFFFAOYSA-N -1 3 311.696 3.151 20 10 DGCDHM Cc1cccc(OCCCC(=O)NCc2c([O-])cccc2F)c1 ZINC001638862864 1194741280 /nfs/dbraw/zinc/74/12/80/1194741280.db2.gz GHIQYMAFAUHMKW-UHFFFAOYSA-N -1 3 317.360 3.315 20 10 DGCDHM C[C@H](Cc1ccc(F)cc1)C(=O)NCc1c([O-])cccc1F ZINC001638862837 1194741458 /nfs/dbraw/zinc/74/14/58/1194741458.db2.gz FCGYCSOEYNWVDS-LLVKDONJSA-N -1 3 305.324 3.165 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(CC1CC1)c1cccc(F)c1 ZINC001642776156 1194937987 /nfs/dbraw/zinc/93/79/87/1194937987.db2.gz MSMWUACINJJWFI-UHFFFAOYSA-N -1 3 301.317 3.294 20 10 DGCDHM CC1(C)C(c2cc(NC(=O)c3cccc(O)c3[O-])n[nH]2)C1(C)C ZINC001643743868 1195051253 /nfs/dbraw/zinc/05/12/53/1195051253.db2.gz ZLFDNUOHMWWUIC-UHFFFAOYSA-N -1 3 315.373 3.223 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1ccc2scnc2c1 ZINC001646033773 1195211979 /nfs/dbraw/zinc/21/19/79/1195211979.db2.gz FEDYWXZCJKMZQP-UHFFFAOYSA-N -1 3 302.330 3.071 20 10 DGCDHM Cc1nc2sccn2c1CN(C)Cc1cc(F)c(F)cc1[O-] ZINC001651841052 1195516072 /nfs/dbraw/zinc/51/60/72/1195516072.db2.gz BNKFKVMPRHQFPQ-UHFFFAOYSA-N -1 3 323.368 3.320 20 10 DGCDHM CC[C@H](Oc1ccccc1F)C(=O)NCc1c([O-])cccc1F ZINC001652295698 1195576698 /nfs/dbraw/zinc/57/66/98/1195576698.db2.gz PSBBVLSSSBSAMB-HNNXBMFYSA-N -1 3 321.323 3.144 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1c(F)ccc2ccncc21 ZINC001652298905 1195578150 /nfs/dbraw/zinc/57/81/50/1195578150.db2.gz SZYQFEUVFBHVBU-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM CC(C)COC1CN(Cc2ccc(Br)cc2[O-])C1 ZINC001658616069 1196280812 /nfs/dbraw/zinc/28/08/12/1196280812.db2.gz ZQWGGJBOCJCRMG-UHFFFAOYSA-N -1 3 314.223 3.012 20 10 DGCDHM Cc1nn(C)c2ncc(NCc3ccc(Cl)cc3[O-])cc12 ZINC001658788362 1196300528 /nfs/dbraw/zinc/30/05/28/1196300528.db2.gz QTKMELATIGYQPN-UHFFFAOYSA-N -1 3 302.765 3.248 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1cccc(C(F)(F)F)n1 ZINC001659250319 1196363532 /nfs/dbraw/zinc/36/35/32/1196363532.db2.gz PMFOBCKLWKVEIS-UHFFFAOYSA-N -1 3 318.245 3.374 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCCN(CC(F)(F)F)CC1 ZINC001659255041 1196364191 /nfs/dbraw/zinc/36/41/91/1196364191.db2.gz RJCLWHRYSONKKP-UHFFFAOYSA-N -1 3 322.758 3.116 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)Nc1cccc(OCCF)c1 ZINC001659833384 1196419612 /nfs/dbraw/zinc/41/96/12/1196419612.db2.gz FICHPHHJFJFHFZ-UHFFFAOYSA-N -1 3 322.311 3.201 20 10 DGCDHM COC(=O)[C@H](NCc1cc(Cl)c(C)cc1[O-])c1ccccc1 ZINC001660827364 1196530788 /nfs/dbraw/zinc/53/07/88/1196530788.db2.gz HGUJBPCEBPXMMW-MRXNPFEDSA-N -1 3 319.788 3.358 20 10 DGCDHM CNC(=O)Oc1cccc(NCc2ccc(Cl)cc2[O-])c1 ZINC001664821329 1197062965 /nfs/dbraw/zinc/06/29/65/1197062965.db2.gz ORRJMZMJVSAKLT-UHFFFAOYSA-N -1 3 306.749 3.376 20 10 DGCDHM C[C@@H](NCc1cc(F)c(F)cc1[O-])c1ccccc1[N+](=O)[O-] ZINC001665587279 1197154822 /nfs/dbraw/zinc/15/48/22/1197154822.db2.gz HFMMZHLGAVDGOW-SECBINFHSA-N -1 3 308.284 3.429 20 10 DGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1 ZINC001684509033 1199389930 /nfs/dbraw/zinc/38/99/30/1199389930.db2.gz RYQDNXKUKPCJBK-SNVBAGLBSA-N -1 3 306.312 3.231 20 10 DGCDHM CC(C)c1[nH]c(CNCc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001591917755 976376471 /nfs/dbraw/zinc/37/64/71/976376471.db2.gz AXOYJNUMDRYIQS-UHFFFAOYSA-N -1 3 314.385 3.061 20 10 DGCDHM C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1[O-])Oc1ccccc1 ZINC001592704999 979166150 /nfs/dbraw/zinc/16/61/50/979166150.db2.gz BZNJGBPRIOZUCO-STQMWFEESA-N -1 3 315.369 3.209 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccc(C2(C(=O)[O-])CC2)cc1)c1ccccc1[O-] ZINC001599841755 988849522 /nfs/dbraw/zinc/84/95/22/988849522.db2.gz IHSXRCJOADNEEY-CYBMUJFWSA-N -1 3 311.381 3.359 20 10 DGCDHM C[N@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598530812 992777960 /nfs/dbraw/zinc/77/79/60/992777960.db2.gz TYZSHGMBVCMZRB-OAHLLOKOSA-N -1 3 305.761 3.303 20 10 DGCDHM C[N@@H+](Cc1ccccc1[O-])[C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001598530812 992777966 /nfs/dbraw/zinc/77/79/66/992777966.db2.gz TYZSHGMBVCMZRB-OAHLLOKOSA-N -1 3 305.761 3.303 20 10 DGCDHM C[C@H]([NH2+]CC1Cc2ccccc2C1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593258220 994539893 /nfs/dbraw/zinc/53/98/93/994539893.db2.gz XURNFRJLNGUWPY-LBPRGKRZSA-N -1 3 311.381 3.156 20 10 DGCDHM C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265847 994576132 /nfs/dbraw/zinc/57/61/32/994576132.db2.gz YIVYMZUOOYFPOY-TZMCWYRMSA-N -1 3 319.401 3.233 20 10 DGCDHM C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1cc(C(=O)[O-])ccc1[O-] ZINC001593265845 994576225 /nfs/dbraw/zinc/57/62/25/994576225.db2.gz YIVYMZUOOYFPOY-JSGCOSHPSA-N -1 3 319.401 3.233 20 10 DGCDHM C[C@H]([NH2+]CCN1[C@H](C)CCC[C@H]1C)c1cc(C(=O)[O-])ccc1[O-] ZINC001593266445 994580333 /nfs/dbraw/zinc/58/03/33/994580333.db2.gz DPLGSKOCQOGONO-MCIONIFRSA-N -1 3 320.433 3.004 20 10 DGCDHM C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1cc(C(=O)[O-])ccc1[O-] ZINC001593276198 994631792 /nfs/dbraw/zinc/63/17/92/994631792.db2.gz XYSVYPMSCQVHTP-LBPRGKRZSA-N -1 3 324.380 3.465 20 10 DGCDHM CC(C)Oc1ncc(Cl)cc1NC(=O)c1cccc(O)c1[O-] ZINC001627416783 1082002024 /nfs/dbraw/zinc/00/20/24/1082002024.db2.gz BWFAYKVJSOARRO-UHFFFAOYSA-N -1 3 322.748 3.186 20 10 DGCDHM O=C1CCN1c1cccc(NCc2cc(F)c(F)cc2[O-])c1 ZINC001181361091 1083453877 /nfs/dbraw/zinc/45/38/77/1083453877.db2.gz LKXKCCZPBCGHFO-UHFFFAOYSA-N -1 3 304.296 3.019 20 10 DGCDHM C/C=C/C[C@H](NCc1cc(Cl)c(C)cc1[O-])C(=O)OCC ZINC001181457991 1083470379 /nfs/dbraw/zinc/47/03/79/1083470379.db2.gz SNRLGQZPEZWUBW-YVZNUBBCSA-N -1 3 311.809 3.342 20 10 DGCDHM C[C@@H]([NH2+]Cc1ccc(Cl)cc1[O-])c1nnc(C(F)(F)F)[n-]1 ZINC001184001573 1084086055 /nfs/dbraw/zinc/08/60/55/1084086055.db2.gz DLWFWTVLKOYASE-ZCFIWIBFSA-N -1 3 320.702 3.033 20 10 DGCDHM CC[C@H](Nc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001184348700 1084165844 /nfs/dbraw/zinc/16/58/44/1084165844.db2.gz RCPZAKVKJZWOKG-HNNXBMFYSA-N -1 3 302.349 3.038 20 10 DGCDHM [O-]c1ccc(Br)cc1CN1CCCC[C@@H](F)C1 ZINC001203635917 1084630861 /nfs/dbraw/zinc/63/08/61/1084630861.db2.gz LEDMSPYGZHSIGD-GFCCVEGCSA-N -1 3 302.187 3.479 20 10 DGCDHM Cc1cccc(O[C@@H]2CCN(Cc3cc(F)c(F)cc3[O-])C2)n1 ZINC001142530414 1087278647 /nfs/dbraw/zinc/27/86/47/1087278647.db2.gz HDIWNJRMNZMXER-CYBMUJFWSA-N -1 3 320.339 3.027 20 10 DGCDHM CN(CCC(=O)c1cccs1)Cc1c([O-])ccc(F)c1F ZINC001233335541 1087658366 /nfs/dbraw/zinc/65/83/66/1087658366.db2.gz ADHDRLXVMVGJKJ-UHFFFAOYSA-N -1 3 311.353 3.437 20 10 DGCDHM Cc1nccnc1NCc1cc(Cl)c2cccnc2c1[O-] ZINC001168522723 1088531776 /nfs/dbraw/zinc/53/17/76/1088531776.db2.gz IOANGHVHIDTBPR-UHFFFAOYSA-N -1 3 300.749 3.304 20 10 DGCDHM CCCOc1cccc(C(=O)NCc2c([O-])cccc2F)c1 ZINC001156170288 1089416438 /nfs/dbraw/zinc/41/64/38/1089416438.db2.gz KAPFYEFMEXQVCF-UHFFFAOYSA-N -1 3 303.333 3.250 20 10 DGCDHM CC[C@H](Cc1ccccc1)C(=O)NCc1c([O-])cccc1F ZINC001156170474 1089416534 /nfs/dbraw/zinc/41/65/34/1089416534.db2.gz NUTZXQVIZIIMEC-CQSZACIVSA-N -1 3 301.361 3.416 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCOC[C@@H]1c1cccnc1 ZINC001203664402 1090775213 /nfs/dbraw/zinc/77/52/13/1090775213.db2.gz CXSLPBSDBXBOFF-OAHLLOKOSA-N -1 3 304.777 3.014 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN[C@H]1COc2cc(F)cc(F)c21 ZINC001205394425 1091210924 /nfs/dbraw/zinc/21/09/24/1091210924.db2.gz OZDUBJZRELPHTL-LBPRGKRZSA-N -1 3 313.250 3.172 20 10 DGCDHM CN(Cc1ccc(O)cc1)Cc1c([O-])cccc1Br ZINC001205696899 1091316078 /nfs/dbraw/zinc/31/60/78/1091316078.db2.gz QINDCBXEDRVDSH-UHFFFAOYSA-N -1 3 322.202 3.492 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CC[C@@H](Oc2ccccc2)C1 ZINC001206728914 1091715416 /nfs/dbraw/zinc/71/54/16/1091715416.db2.gz XYMYVKDQSRVVLD-OAHLLOKOSA-N -1 3 305.324 3.324 20 10 DGCDHM C[C@@]1(F)CCN(Cc2c([O-])cccc2Br)C[C@@H]1F ZINC001140098606 1091766830 /nfs/dbraw/zinc/76/68/30/1091766830.db2.gz HNOQUSOEDFXYBZ-QWHCGFSZSA-N -1 3 320.177 3.427 20 10 DGCDHM [O-]c1cccc(Br)c1CN1CCCC[C@@H](F)C1 ZINC001140098934 1091766894 /nfs/dbraw/zinc/76/68/94/1091766894.db2.gz ULAQBXNOSRMSKR-SNVBAGLBSA-N -1 3 302.187 3.479 20 10 DGCDHM Cc1ccc(N2CCN(Cc3ccc(Cl)cc3[O-])CC2)nc1 ZINC001140466184 1091878489 /nfs/dbraw/zinc/87/84/89/1091878489.db2.gz AJNVCRXDRLLQOR-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM [O-]c1cc(F)cc(F)c1CN1CC[C@H](OCc2ccccc2)C1 ZINC001140584204 1091919349 /nfs/dbraw/zinc/91/93/49/1091919349.db2.gz IVZCQAMXOJLGEL-HNNXBMFYSA-N -1 3 319.351 3.462 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCc2c(Cl)cc(F)cc2C1 ZINC001141588009 1092283770 /nfs/dbraw/zinc/28/37/70/1092283770.db2.gz CQMCRLKYARDMMH-UHFFFAOYSA-N -1 3 321.735 3.089 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC[C@](CF)(C(F)(F)F)C1 ZINC001142508928 1092492218 /nfs/dbraw/zinc/49/22/18/1092492218.db2.gz QEXBHUGVHVBCIC-GFCCVEGCSA-N -1 3 313.241 3.394 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CCC[C@@H](Oc2ccncc2)C1 ZINC001142530961 1092497472 /nfs/dbraw/zinc/49/74/72/1092497472.db2.gz MTBITJQVCPPXQQ-CQSZACIVSA-N -1 3 320.339 3.109 20 10 DGCDHM Cn1ccc2ccc(-c3noc(-c4cccc(O)c4[O-])n3)cc21 ZINC001215145816 1093927395 /nfs/dbraw/zinc/92/73/95/1093927395.db2.gz KVRRIOCMAFDLKU-UHFFFAOYSA-N -1 3 307.309 3.307 20 10 DGCDHM [O-]c1c(O)c(O)ccc1-c1nc(-c2ccc(Cl)cc2)no1 ZINC001215325466 1093960780 /nfs/dbraw/zinc/96/07/80/1093960780.db2.gz VJUUNFGZMCUIDB-UHFFFAOYSA-N -1 3 304.689 3.174 20 10 DGCDHM [O-]c1c(O)cc(-c2nc(-c3ccc4ccncc4c3)no2)cc1O ZINC001215327441 1093961837 /nfs/dbraw/zinc/96/18/37/1093961837.db2.gz BAKWUXXJBBYDIF-UHFFFAOYSA-N -1 3 321.292 3.069 20 10 DGCDHM Cc1cc(-c2noc(-c3cc(O)c([O-])c(O)c3)n2)cc(C)c1F ZINC001215327641 1093961965 /nfs/dbraw/zinc/96/19/65/1093961965.db2.gz MAGDSIDXRHRNHU-UHFFFAOYSA-N -1 3 316.288 3.276 20 10 DGCDHM COc1ccccc1-c1noc(-c2ccc([O-])c(O)c2Cl)n1 ZINC001216951639 1094283368 /nfs/dbraw/zinc/28/33/68/1094283368.db2.gz IVYJYFDEFKWOFX-UHFFFAOYSA-N -1 3 318.716 3.477 20 10 DGCDHM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H]2C[C@H]21 ZINC001144308241 1095601869 /nfs/dbraw/zinc/60/18/69/1095601869.db2.gz UHQJUAJINHDNTO-QPUJVOFHSA-N -1 3 300.171 3.278 20 10 DGCDHM C[C@@H](Nc1ccc(CCC(N)=O)cc1)c1ccc(F)cc1[O-] ZINC001116589421 1095608962 /nfs/dbraw/zinc/60/89/62/1095608962.db2.gz WMBUTUINXSJBGK-LLVKDONJSA-N -1 3 302.349 3.122 20 10 DGCDHM Cc1ccc(N2CCN(Cc3c([O-])cccc3F)CC2)cc1C ZINC001137831973 1095756449 /nfs/dbraw/zinc/75/64/49/1095756449.db2.gz VKWMDIDRGKDFFI-UHFFFAOYSA-N -1 3 314.404 3.470 20 10 DGCDHM [O-]c1cccc(F)c1CN1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001137837808 1095760259 /nfs/dbraw/zinc/76/02/59/1095760259.db2.gz VOPCNSAQFKYCOI-LBPRGKRZSA-N -1 3 323.314 3.463 20 10 DGCDHM CCCCN(Cc1ccccc1)C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148584604 1096407490 /nfs/dbraw/zinc/40/74/90/1096407490.db2.gz VVBBPKKJIIDNHW-UHFFFAOYSA-N -1 3 315.369 3.246 20 10 DGCDHM C[C@@H]1CCC[C@@H](CNC(=O)NCc2c([O-])cccc2F)[C@@H]1C ZINC001227439344 1096932961 /nfs/dbraw/zinc/93/29/61/1096932961.db2.gz WCORREYKDUBYEN-UPJWGTAASA-N -1 3 308.397 3.403 20 10 DGCDHM C[C@@H]1CCC[C@H](CNC(=O)NCc2c([O-])cccc2F)[C@@H]1C ZINC001227439343 1096933177 /nfs/dbraw/zinc/93/31/77/1096933177.db2.gz WCORREYKDUBYEN-JHJVBQTASA-N -1 3 308.397 3.403 20 10 DGCDHM CC(C)OCCOc1c(O)c([O-])ccc1C(=O)c1ccccc1 ZINC001227937071 1097016434 /nfs/dbraw/zinc/01/64/34/1097016434.db2.gz AAUDASUKAYGSKX-UHFFFAOYSA-N -1 3 316.353 3.133 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@H]1c1ccccc1F ZINC001229867668 1097402636 /nfs/dbraw/zinc/40/26/36/1097402636.db2.gz YMJNORVFKURQCP-XHDPSFHLSA-N -1 3 318.323 3.026 20 10 DGCDHM CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])cc2[O-])Cc2ccccc21 ZINC001231453077 1097752943 /nfs/dbraw/zinc/75/29/43/1097752943.db2.gz BHNWDGHLIQPSKX-UHFFFAOYSA-N -1 3 311.381 3.384 20 10 DGCDHM CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2[O-])Cc2ccccc21 ZINC001231453077 1097752946 /nfs/dbraw/zinc/75/29/46/1097752946.db2.gz BHNWDGHLIQPSKX-UHFFFAOYSA-N -1 3 311.381 3.384 20 10 DGCDHM Cc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2[O-])cn1 ZINC001231455706 1097753569 /nfs/dbraw/zinc/75/35/69/1097753569.db2.gz UEIAPCXTFAMIOC-MRXNPFEDSA-N -1 3 312.369 3.131 20 10 DGCDHM Cc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2[O-])cn1 ZINC001231455706 1097753576 /nfs/dbraw/zinc/75/35/76/1097753576.db2.gz UEIAPCXTFAMIOC-MRXNPFEDSA-N -1 3 312.369 3.131 20 10 DGCDHM COc1cc([O-])c(CN2CCn3cccc3[C@H]2C)cc1Cl ZINC001232267376 1097988106 /nfs/dbraw/zinc/98/81/06/1097988106.db2.gz AXMOPAJMEXGPKN-LLVKDONJSA-N -1 3 306.793 3.433 20 10 DGCDHM CN(CCCC(=O)c1cccnc1)Cc1c([O-])ccc(F)c1F ZINC001233335248 1098292162 /nfs/dbraw/zinc/29/21/62/1098292162.db2.gz NMCHFHKQCNQMCY-UHFFFAOYSA-N -1 3 320.339 3.160 20 10 DGCDHM [O-]c1ccc(F)c(F)c1CN1CCC2(CC(F)(F)CO2)CC1 ZINC001233332438 1098292608 /nfs/dbraw/zinc/29/26/08/1098292608.db2.gz LFZSYBOXJYEQNG-UHFFFAOYSA-N -1 3 319.298 3.061 20 10 DGCDHM CCCCOC1CN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001233454518 1098340376 /nfs/dbraw/zinc/34/03/76/1098340376.db2.gz XLSSDMULIVIZBM-UHFFFAOYSA-N -1 3 303.324 3.412 20 10 DGCDHM [O-]c1c(F)cc(Br)cc1CN1CC2CC(C2)C1 ZINC001235064437 1098781149 /nfs/dbraw/zinc/78/11/49/1098781149.db2.gz DDWNHOJSDDTEMH-UHFFFAOYSA-N -1 3 300.171 3.136 20 10 DGCDHM Cc1ccc(CCCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001178410946 1098825772 /nfs/dbraw/zinc/82/57/72/1098825772.db2.gz ZVZZUZIYRTWLSQ-UHFFFAOYSA-N -1 3 301.361 3.479 20 10 DGCDHM Cc1ccc(OCCC(=O)NCc2c([O-])cccc2F)c(C)c1 ZINC001178410077 1098826635 /nfs/dbraw/zinc/82/66/35/1098826635.db2.gz LFDZDTIISOXQBA-UHFFFAOYSA-N -1 3 317.360 3.233 20 10 DGCDHM O=C(/C=C/Sc1ccccc1)NCc1c([O-])cccc1F ZINC001178413719 1098827515 /nfs/dbraw/zinc/82/75/15/1098827515.db2.gz XTKZWMRUBJYHPE-MDZDMXLPSA-N -1 3 303.358 3.454 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cnc2c(F)cccc2c1 ZINC001178413525 1098828728 /nfs/dbraw/zinc/82/87/28/1098828728.db2.gz UFIIRMGUKIEULL-UHFFFAOYSA-N -1 3 314.291 3.149 20 10 DGCDHM Cc1cc(Br)c([O-])c(CN2CCC(F)CC2)c1 ZINC001236664482 1099733146 /nfs/dbraw/zinc/73/31/46/1099733146.db2.gz UTQCZXXDOGDZBN-UHFFFAOYSA-N -1 3 302.187 3.397 20 10 DGCDHM [O-]c1cc(Cl)c(Cl)cc1CN1CCC[C@@](O)(CF)CC1 ZINC001236794493 1099790750 /nfs/dbraw/zinc/79/07/50/1099790750.db2.gz SFFGYKSWBRAODA-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM COc1cc([O-])c(CN2CCC(=O)[C@@H]3CCCC[C@H]32)c(Cl)c1 ZINC001236797721 1099791856 /nfs/dbraw/zinc/79/18/56/1099791856.db2.gz INNNKGCCZWUWFW-IUODEOHRSA-N -1 3 323.820 3.388 20 10 DGCDHM COc1cc([O-])c(CN2CCC[C@@H]2c2cnccn2)c(Cl)c1 ZINC001236800875 1099794338 /nfs/dbraw/zinc/79/43/38/1099794338.db2.gz BWJGHEYWBFUBPJ-OAHLLOKOSA-N -1 3 319.792 3.181 20 10 DGCDHM COc1ccc(CN(C)Cc2cccc(O)c2)c([O-])c1Cl ZINC001236801476 1099797560 /nfs/dbraw/zinc/79/75/60/1099797560.db2.gz JSFORXREYLIPSM-UHFFFAOYSA-N -1 3 307.777 3.392 20 10 DGCDHM COc1ccc(CN2CC[C@@H]3CCCO[C@H]3C2)c([O-])c1Cl ZINC001236801384 1099797824 /nfs/dbraw/zinc/79/78/24/1099797824.db2.gz IICHUNVCTYOTGF-FZMZJTMJSA-N -1 3 311.809 3.055 20 10 DGCDHM COc1ccc(CN2CC(c3cccnc3)C2)c([O-])c1Cl ZINC001236805654 1099799614 /nfs/dbraw/zinc/79/96/14/1099799614.db2.gz DFXYYYFVYDHAQY-UHFFFAOYSA-N -1 3 304.777 3.049 20 10 DGCDHM COc1cc([O-])c(CN2CCc3ncc(C)cc3C2)c(Cl)c1 ZINC001236806181 1099800252 /nfs/dbraw/zinc/80/02/52/1099800252.db2.gz PKHHNTIQZRYSDJ-UHFFFAOYSA-N -1 3 318.804 3.316 20 10 DGCDHM COc1cc([O-])c(CN2CC3(C2)C[C@H](F)CS3)c(Cl)c1 ZINC001236809475 1099800550 /nfs/dbraw/zinc/80/05/50/1099800550.db2.gz VWCPGMVWVVUTTM-VIFPVBQESA-N -1 3 317.813 3.084 20 10 DGCDHM COc1cc([O-])c(CN(C)Cc2ccc(C)nc2)c(Cl)c1 ZINC001236806837 1099801164 /nfs/dbraw/zinc/80/11/64/1099801164.db2.gz BMIQTZUVAGQIKL-UHFFFAOYSA-N -1 3 306.793 3.390 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CCC[C@@](O)(CF)CC1 ZINC001237077417 1099958459 /nfs/dbraw/zinc/95/84/59/1099958459.db2.gz HOBXDBWUFRSKBJ-AWEZNQCLSA-N -1 3 322.207 3.386 20 10 DGCDHM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(C1)CCCOC2 ZINC001237078067 1099959565 /nfs/dbraw/zinc/95/95/65/1099959565.db2.gz NBUCRRRBWQDZBC-UHFFFAOYSA-N -1 3 302.201 3.311 20 10 DGCDHM [O-]c1c(Cl)cc(F)cc1CN1CC[C@H](Oc2ccccn2)C1 ZINC001237806078 1100253393 /nfs/dbraw/zinc/25/33/93/1100253393.db2.gz QVWFDVKNEQXTLF-ZDUSSCGKSA-N -1 3 322.767 3.233 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCO[C@H](C(F)(F)F)CC1 ZINC000687289371 1103092058 /nfs/dbraw/zinc/09/20/58/1103092058.db2.gz SAEQVYGQVDMKBQ-LBPRGKRZSA-N -1 3 309.715 3.199 20 10 DGCDHM Cc1cc([O-])c(CN2CCc3cc(Cl)nnc3C2)cc1Cl ZINC001328208662 1103873098 /nfs/dbraw/zinc/87/30/98/1103873098.db2.gz HGHXCEBUGUJQLG-UHFFFAOYSA-N -1 3 324.211 3.356 20 10 DGCDHM CCOC(=O)C[C@H]1CCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC001320481829 1107018971 /nfs/dbraw/zinc/01/89/71/1107018971.db2.gz ZVCWOZYZIUTMPT-GFCCVEGCSA-N -1 3 315.772 3.102 20 10 DGCDHM COc1ccc2c(c1)CCCN2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001261297539 1107408739 /nfs/dbraw/zinc/40/87/39/1107408739.db2.gz FAKNEJDFXJLZKH-UHFFFAOYSA-N -1 3 311.385 3.021 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC001308791757 1111475529 /nfs/dbraw/zinc/47/55/29/1111475529.db2.gz HDONVROJVITEHY-CVEARBPZSA-N -1 3 309.356 3.204 20 10 DGCDHM COc1ccc([C@H](C)NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001311738674 1111616859 /nfs/dbraw/zinc/61/68/59/1111616859.db2.gz PKGIILMWJBCRJR-NSHDSACASA-N -1 3 318.348 3.100 20 10 DGCDHM COc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000179410763 432056960 /nfs/dbraw/zinc/05/69/60/432056960.db2.gz FJBGAPCDSTYJDD-LBPRGKRZSA-N -1 3 315.369 3.248 20 10 DGCDHM [O-]c1ccccc1C[NH+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000179552808 432061738 /nfs/dbraw/zinc/06/17/38/432061738.db2.gz JNUHOAUEGCVGHM-QGZVFWFLSA-N -1 3 313.397 3.279 20 10 DGCDHM C[C@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093482715 193258425 /nfs/dbraw/zinc/25/84/25/193258425.db2.gz SLONEWKVEHVKPV-CABZTGNLSA-N -1 3 304.217 3.434 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000190138301 432126513 /nfs/dbraw/zinc/12/65/13/432126513.db2.gz JJSQGHNVNFJRPL-QGZVFWFLSA-N -1 3 323.314 3.383 20 10 DGCDHM C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(Cl)c(Cl)c1[O-] ZINC000273432606 130120795 /nfs/dbraw/zinc/12/07/95/130120795.db2.gz WCXGFSSMJLHHQC-YLWLKBPMSA-N -1 3 318.122 3.273 20 10 DGCDHM Cc1ccc([C@H](C)N[C@H](CO)c2c(F)cccc2F)c([O-])c1 ZINC000273537018 130133286 /nfs/dbraw/zinc/13/32/86/130133286.db2.gz XPYYPFUAFJEDBV-XHDPSFHLSA-N -1 3 307.340 3.363 20 10 DGCDHM COc1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])cc1[N+](=O)[O-] ZINC000273621333 130144789 /nfs/dbraw/zinc/14/47/89/130144789.db2.gz ZBZZFGVZSKJVCA-JTQLQIEISA-N -1 3 320.320 3.299 20 10 DGCDHM CC[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000286356678 131231990 /nfs/dbraw/zinc/23/19/90/131231990.db2.gz ZMJLRWZNJAUHID-CVEARBPZSA-N -1 3 307.340 3.445 20 10 DGCDHM C[C@H](c1ccccc1)N(Cc1cnnn1C)Cc1ccccc1[O-] ZINC000289372474 131379617 /nfs/dbraw/zinc/37/96/17/131379617.db2.gz OMJYGDRGFOYMBI-OAHLLOKOSA-N -1 3 322.412 3.284 20 10 DGCDHM COc1c([O-])c(CN(Cc2ccco2)C(C)C)ccc1[N+](=O)[O-] ZINC000278307180 286187098 /nfs/dbraw/zinc/18/70/98/286187098.db2.gz WJOQPLWCQKREIJ-UHFFFAOYSA-N -1 3 320.345 3.313 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2cc[nH]n2)c1[O-] ZINC000285307518 277105953 /nfs/dbraw/zinc/10/59/53/277105953.db2.gz HWHTVDDHVGXVSP-INIZCTEOSA-N -1 3 317.364 3.184 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CCCN(c2nccs2)CC1 ZINC000092482592 431909849 /nfs/dbraw/zinc/90/98/49/431909849.db2.gz USMZBOHYWNLTLV-UHFFFAOYSA-N -1 3 323.849 3.214 20 10 DGCDHM C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000193079818 432447726 /nfs/dbraw/zinc/44/77/26/432447726.db2.gz IFJKWTHOCYDOEK-YPMHNXCESA-N -1 3 315.344 3.255 20 10 DGCDHM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000193102445 432449464 /nfs/dbraw/zinc/44/94/64/432449464.db2.gz STXDTHJHDRYQNV-OAHLLOKOSA-N -1 3 313.397 3.500 20 10 DGCDHM COc1cc(Cl)cc(CN2CCn3cccc3[C@@H]2C)c1[O-] ZINC000184672850 432419126 /nfs/dbraw/zinc/41/91/26/432419126.db2.gz BZVGJHVQUHMKPX-NSHDSACASA-N -1 3 306.793 3.433 20 10 DGCDHM C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(Cl)ccc1[O-] ZINC000185122167 432469098 /nfs/dbraw/zinc/46/90/98/432469098.db2.gz VDCSXADDZVQGKQ-GPNNCHTKSA-N -1 3 303.789 3.355 20 10 DGCDHM CC(C)(O)COc1ccc(NCc2cc(F)ccc2[O-])cc1 ZINC000272504517 432515194 /nfs/dbraw/zinc/51/51/94/432515194.db2.gz WBWIZINZFQUTKH-UHFFFAOYSA-N -1 3 305.349 3.293 20 10 DGCDHM COc1cccc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])c1 ZINC000186835482 432633282 /nfs/dbraw/zinc/63/32/82/432633282.db2.gz SXRWVMUWVQEGIY-OAHLLOKOSA-N -1 3 313.353 3.084 20 10 DGCDHM C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](c2ccco2)C1 ZINC000187157579 432649671 /nfs/dbraw/zinc/64/96/71/432649671.db2.gz JWBDRVNOCFDWHH-DGCLKSJQSA-N -1 3 301.342 3.304 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N(CCc1ccc(F)cc1)C1CC1 ZINC000279063243 432931660 /nfs/dbraw/zinc/93/16/60/432931660.db2.gz CGCIZOIJEUJKGP-UHFFFAOYSA-N -1 3 315.344 3.084 20 10 DGCDHM COCc1ccccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278949202 432920881 /nfs/dbraw/zinc/92/08/81/432920881.db2.gz ZFQJNPGFFNBNDL-UHFFFAOYSA-N -1 3 318.329 3.068 20 10 DGCDHM COc1cc(Cl)cc(CNCc2noc3c2CCCC3)c1[O-] ZINC000290124102 432996785 /nfs/dbraw/zinc/99/67/85/432996785.db2.gz JCBUDTVWVMFIRG-UHFFFAOYSA-N -1 3 322.792 3.211 20 10 DGCDHM O=C(Nc1nc(-c2ccccc2F)co1)c1cccc(O)c1[O-] ZINC000373647185 433155993 /nfs/dbraw/zinc/15/59/93/433155993.db2.gz KVHDWRHTHGBGJR-UHFFFAOYSA-N -1 3 314.272 3.144 20 10 DGCDHM Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000373703870 433159320 /nfs/dbraw/zinc/15/93/20/433159320.db2.gz YHFFSTFURXLADL-UHFFFAOYSA-N -1 3 309.325 3.049 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCCO1 ZINC000281226238 433275053 /nfs/dbraw/zinc/27/50/53/433275053.db2.gz BZBGRRKNLVABNR-CQSZACIVSA-N -1 3 311.809 3.249 20 10 DGCDHM CCCCN(CC(=O)Nc1nccs1)Cc1ccccc1[O-] ZINC000282560603 433618051 /nfs/dbraw/zinc/61/80/51/433618051.db2.gz YHLQYZYBKHWWJI-UHFFFAOYSA-N -1 3 319.430 3.090 20 10 DGCDHM CO[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1(C)C ZINC000294934991 434154524 /nfs/dbraw/zinc/15/45/24/434154524.db2.gz GOJVUGFZHQEOIW-AWEZNQCLSA-N -1 3 301.789 3.432 20 10 DGCDHM CN(Cc1cc(Cl)c(F)cc1[O-])[C@H](CO)c1ccccc1 ZINC000295039714 434163610 /nfs/dbraw/zinc/16/36/10/434163610.db2.gz MMJJHQAVQWOFRR-OAHLLOKOSA-N -1 3 309.768 3.350 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc(O)c1[O-] ZINC000363922872 434181910 /nfs/dbraw/zinc/18/19/10/434181910.db2.gz GHMINHHCWJDGHC-KRWDZBQOSA-N -1 3 320.348 3.012 20 10 DGCDHM CCC1(CO)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295328418 434314940 /nfs/dbraw/zinc/31/49/40/434314940.db2.gz LTBGJDXYPVQCSB-UHFFFAOYSA-N -1 3 301.789 3.169 20 10 DGCDHM [O-]c1ccc(Cl)cc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000368127885 434566947 /nfs/dbraw/zinc/56/69/47/434566947.db2.gz XYZSYQQNFBPZOF-ZDUSSCGKSA-N -1 3 312.200 3.343 20 10 DGCDHM C[C@H](NCc1ccccc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000174668184 533934986 /nfs/dbraw/zinc/93/49/86/533934986.db2.gz RGQIFYAQXUTOIE-NSHDSACASA-N -1 3 313.332 3.432 20 10 DGCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000180059333 534454446 /nfs/dbraw/zinc/45/44/46/534454446.db2.gz PZVXIEYYVUKJBL-QGZVFWFLSA-N -1 3 323.314 3.383 20 10 DGCDHM CC[C@@H](c1ccncc1)N(CC)C(=O)c1cccc(O)c1[O-] ZINC000185712929 523127534 /nfs/dbraw/zinc/12/75/34/523127534.db2.gz VWJHVXLBIRIOMM-AWEZNQCLSA-N -1 3 300.358 3.106 20 10 DGCDHM Cc1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000187061497 524808322 /nfs/dbraw/zinc/80/83/22/524808322.db2.gz IEOUBYLZARLNJC-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM C[C@@H](c1nnnn1C1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000189663366 526191093 /nfs/dbraw/zinc/19/10/93/526191093.db2.gz WPDVHYCOZLZVMB-ZDUSSCGKSA-N -1 3 315.421 3.077 20 10 DGCDHM C[C@H](c1nnnn1C1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000189663385 526193681 /nfs/dbraw/zinc/19/36/81/526193681.db2.gz WPDVHYCOZLZVMB-CYBMUJFWSA-N -1 3 315.421 3.077 20 10 DGCDHM Cc1csc([C@@H](NC(=O)c2ccc(C)c(O)c2[O-])C2CC2)n1 ZINC000179517671 526415733 /nfs/dbraw/zinc/41/57/33/526415733.db2.gz ZTAUVERYRLVRPA-LBPRGKRZSA-N -1 3 318.398 3.052 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCCCC[C@H]1c1ccncc1 ZINC000188192691 526771204 /nfs/dbraw/zinc/77/12/04/526771204.db2.gz IKLUVTZKNNDFIS-HNNXBMFYSA-N -1 3 312.369 3.250 20 10 DGCDHM CO[C@H](C)c1nc(CN[C@H]2CCc3cccc([O-])c32)cs1 ZINC000297946435 536514429 /nfs/dbraw/zinc/51/44/29/536514429.db2.gz YJSFVOGHRQBIBQ-MFKMUULPSA-N -1 3 304.415 3.333 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000731863962 574560295 /nfs/dbraw/zinc/56/02/95/574560295.db2.gz HHHFHFLDROMGMJ-UHFFFAOYSA-N -1 3 322.817 3.070 20 10 DGCDHM O=C(NCCSCc1ccccc1F)c1cc([O-])cs1 ZINC000731864298 574560568 /nfs/dbraw/zinc/56/05/68/574560568.db2.gz QFQTZUVJKPGQNP-UHFFFAOYSA-N -1 3 311.403 3.256 20 10 DGCDHM CCCCN(CCCC)C(=O)CN(C)Cc1ccccc1[O-] ZINC000731843134 574560051 /nfs/dbraw/zinc/56/00/51/574560051.db2.gz ZGYVFCUKKWWHFH-UHFFFAOYSA-N -1 3 306.450 3.253 20 10 DGCDHM Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([O-])cs2)c1 ZINC000731909670 574561749 /nfs/dbraw/zinc/56/17/49/574561749.db2.gz INJHOJUNUVLKJV-NSHDSACASA-N -1 3 319.382 3.255 20 10 DGCDHM C[C@H](OC(=O)c1cc([O-])cs1)c1nc2ccccc2c(=O)[nH]1 ZINC000731909222 574561936 /nfs/dbraw/zinc/56/19/36/574561936.db2.gz DAMILFQWBCQHKQ-QMMMGPOBSA-N -1 3 316.338 3.021 20 10 DGCDHM CCn1ccnc1CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000732202526 574567623 /nfs/dbraw/zinc/56/76/23/574567623.db2.gz VBBNCJCLNLDHHS-UHFFFAOYSA-N -1 3 311.385 3.404 20 10 DGCDHM CN(CC(=O)NCCCC1CCCCC1)Cc1ccccc1[O-] ZINC000732203039 574567837 /nfs/dbraw/zinc/56/78/37/574567837.db2.gz METVILTUERYBHG-UHFFFAOYSA-N -1 3 318.461 3.301 20 10 DGCDHM Cc1cnc(CN(Cc2ccco2)Cc2ccccc2[O-])cn1 ZINC000732202477 574567843 /nfs/dbraw/zinc/56/78/43/574567843.db2.gz RTMUWNJWMQNEBC-UHFFFAOYSA-N -1 3 309.369 3.286 20 10 DGCDHM O=C(Nc1ccc(N2CCCCC2)nc1)c1cc([O-])cs1 ZINC000732263340 574569305 /nfs/dbraw/zinc/56/93/05/574569305.db2.gz CVNWQOCYKNOLNJ-UHFFFAOYSA-N -1 3 303.387 3.091 20 10 DGCDHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc([O-])cs1 ZINC000732267771 574569579 /nfs/dbraw/zinc/56/95/79/574569579.db2.gz VHTNIWCWFBYFSK-AWEZNQCLSA-N -1 3 319.382 3.264 20 10 DGCDHM COc1cccc(C2CCN(C(=O)c3cc([O-])cs3)CC2)c1 ZINC000732279389 574570334 /nfs/dbraw/zinc/57/03/34/574570334.db2.gz LLPRXZFFWXIJGQ-UHFFFAOYSA-N -1 3 317.410 3.482 20 10 DGCDHM O=C(c1cc([O-])cs1)N1CCCO[C@H](c2ccccc2)C1 ZINC000732288357 574570991 /nfs/dbraw/zinc/57/09/91/574570991.db2.gz QNTKCJYKECPUOX-AWEZNQCLSA-N -1 3 303.383 3.058 20 10 DGCDHM O=C(N[C@@H](c1ccccc1)C1CCOCC1)c1cc([O-])cs1 ZINC000734555024 574667215 /nfs/dbraw/zinc/66/72/15/574667215.db2.gz PTDKUZKURSWEGW-INIZCTEOSA-N -1 3 317.410 3.351 20 10 DGCDHM Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)c([O-])c1C ZINC000734557788 574667232 /nfs/dbraw/zinc/66/72/32/574667232.db2.gz JMVPURPDPMWDAZ-UHFFFAOYSA-N -1 3 312.413 3.313 20 10 DGCDHM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1cc([O-])cs1 ZINC000735536925 574705793 /nfs/dbraw/zinc/70/57/93/574705793.db2.gz UHNGYUVCGCWRHK-UHFFFAOYSA-N -1 3 313.718 3.372 20 10 DGCDHM C[C@@H](CNC(=O)c1cc([O-])cs1)Oc1ccccc1Cl ZINC000743717342 575062134 /nfs/dbraw/zinc/06/21/34/575062134.db2.gz AVEODYRHGXIGHI-VIFPVBQESA-N -1 3 311.790 3.304 20 10 DGCDHM COC(=O)/C(C)=C/CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000748818729 575609516 /nfs/dbraw/zinc/60/95/16/575609516.db2.gz XNZGUUOPXBSLIK-NTEUORMPSA-N -1 3 315.369 3.107 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN1CCC(O)(c2ccccc2)CC1 ZINC000894474820 618349295 /nfs/dbraw/zinc/34/92/95/618349295.db2.gz YRUXULXYZJFFHQ-UHFFFAOYSA-N -1 3 319.351 3.154 20 10 DGCDHM C[C@H](CNC(=O)NCc1c([O-])cccc1F)Cc1cccs1 ZINC000920444137 620800975 /nfs/dbraw/zinc/80/09/75/620800975.db2.gz WLLSJIMOKFFLRF-NSHDSACASA-N -1 3 322.405 3.271 20 10 DGCDHM C[C@@H]1[C@H](C)N(C)CCN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775985868 618520117 /nfs/dbraw/zinc/52/01/17/618520117.db2.gz PJMCRFVZSWVEIK-VHSXEESVSA-N -1 3 303.233 3.223 20 10 DGCDHM Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(F)cc(F)c1[O-] ZINC000894093005 618708261 /nfs/dbraw/zinc/70/82/61/618708261.db2.gz ATFNBTKLWKIZGL-OAHLLOKOSA-N -1 3 307.344 3.049 20 10 DGCDHM Cn1ccc(C2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC000896494988 618920196 /nfs/dbraw/zinc/92/01/96/618920196.db2.gz GDJDCAHYYKMVLG-UHFFFAOYSA-N -1 3 323.799 3.298 20 10 DGCDHM C[C@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000841754144 619157706 /nfs/dbraw/zinc/15/77/06/619157706.db2.gz ZWQZDNSZCBLQAH-JTQLQIEISA-N -1 3 308.813 3.243 20 10 DGCDHM Cn1nc(CNCc2c([O-])cccc2Cl)cc1C(F)(F)F ZINC000898021968 619206842 /nfs/dbraw/zinc/20/68/42/619206842.db2.gz XJGQVLSICJQEBH-UHFFFAOYSA-N -1 3 319.714 3.088 20 10 DGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)n(C(C)(C)C)n1 ZINC000902945636 619693434 /nfs/dbraw/zinc/69/34/34/619693434.db2.gz UOFPEDOTSWOZLM-UHFFFAOYSA-N -1 3 320.368 3.113 20 10 DGCDHM C[C@H](NCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903352958 619763658 /nfs/dbraw/zinc/76/36/58/619763658.db2.gz XLIJARRVXWFIHY-QMMMGPOBSA-N -1 3 300.189 3.283 20 10 DGCDHM C[C@@H](NCc1cn(C)cn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000903352957 619763704 /nfs/dbraw/zinc/76/37/04/619763704.db2.gz XLIJARRVXWFIHY-MRVPVSSYSA-N -1 3 300.189 3.283 20 10 DGCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000151871298 620477566 /nfs/dbraw/zinc/47/75/66/620477566.db2.gz JVUHOXNKKPSMFL-UHFFFAOYSA-N -1 3 311.790 3.463 20 10 DGCDHM C[C@H]1C[C@H]1c1ccc(CNC(=O)NCc2c([O-])cccc2F)o1 ZINC000914245992 620515060 /nfs/dbraw/zinc/51/50/60/620515060.db2.gz RKZIVNDCDYSTPZ-CMPLNLGQSA-N -1 3 318.348 3.247 20 10 DGCDHM COCCOCc1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000862531210 621597346 /nfs/dbraw/zinc/59/73/46/621597346.db2.gz DFTUGYGQABADRA-UHFFFAOYSA-N -1 3 305.349 3.306 20 10 DGCDHM COC(=O)[C@H](CC1CCCCC1)NCc1cc(F)ccc1[O-] ZINC000756146580 621618621 /nfs/dbraw/zinc/61/86/21/621618621.db2.gz KLNGTLZGYLYSHV-HNNXBMFYSA-N -1 3 309.381 3.133 20 10 DGCDHM C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cc(F)cc(F)c1[O-] ZINC000756711861 621659631 /nfs/dbraw/zinc/65/96/31/621659631.db2.gz MUBOJBPTUODVBV-PSLIRLAXSA-N -1 3 311.303 3.194 20 10 DGCDHM Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])CO2 ZINC000756760390 621663028 /nfs/dbraw/zinc/66/30/28/621663028.db2.gz ONSHIRXUYFIQDY-ABAIWWIYSA-N -1 3 314.341 3.393 20 10 DGCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(Cl)o2)c1 ZINC000756791928 621664883 /nfs/dbraw/zinc/66/48/83/621664883.db2.gz YVMVGXLBRWPHQZ-VIFPVBQESA-N -1 3 309.749 3.276 20 10 DGCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(C(F)F)CC2)c1[O-] ZINC000769445373 622528015 /nfs/dbraw/zinc/52/80/15/622528015.db2.gz GIRXDAAQHRKZQC-UHFFFAOYSA-N -1 3 320.723 3.431 20 10 DGCDHM COc1cc(C)c(NC(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC000769699756 622551039 /nfs/dbraw/zinc/55/10/39/622551039.db2.gz KHNTXBCXVNLZSH-UHFFFAOYSA-N -1 3 301.342 3.284 20 10 DGCDHM O=C(CCCc1ccc([O-])c(F)c1)N1Cc2cccc(O)c2C1 ZINC000871203787 622567174 /nfs/dbraw/zinc/56/71/74/622567174.db2.gz GVPZZRKCUCWGHN-UHFFFAOYSA-N -1 3 315.344 3.102 20 10 DGCDHM CC(C)(C)c1ccc(O)c(NC(=O)c2cccc(O)c2[O-])c1 ZINC000776323701 623412036 /nfs/dbraw/zinc/41/20/36/623412036.db2.gz PXMYFQZLJJXMRA-UHFFFAOYSA-N -1 3 301.342 3.353 20 10 DGCDHM O=C(NCCc1csc2ccccc12)c1cccc(O)c1[O-] ZINC000790543518 625668021 /nfs/dbraw/zinc/66/80/21/625668021.db2.gz VLWUTVVQOUWLRK-UHFFFAOYSA-N -1 3 313.378 3.285 20 10 DGCDHM O=C(Nc1nnc(C2CCCCC2)s1)c1cccc(O)c1[O-] ZINC000790511896 625663175 /nfs/dbraw/zinc/66/31/75/625663175.db2.gz NMNHZTPPZVDEEK-UHFFFAOYSA-N -1 3 319.386 3.249 20 10 DGCDHM C[C@@H](Cc1ccccc1Cl)NC(=O)c1cccc(O)c1[O-] ZINC000790544500 625667697 /nfs/dbraw/zinc/66/76/97/625667697.db2.gz XLZNDMWPZAAJCX-JTQLQIEISA-N -1 3 305.761 3.112 20 10 DGCDHM [O-]c1ccc(F)cc1CN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000779011046 623720477 /nfs/dbraw/zinc/72/04/77/623720477.db2.gz YUGYIONWUGIBOY-UHFFFAOYSA-N -1 3 311.360 3.457 20 10 DGCDHM CCCOc1ncccc1CNCc1ccc(F)c(F)c1[O-] ZINC000876986795 623759882 /nfs/dbraw/zinc/75/98/82/623759882.db2.gz LBDBBQIXKBDOBP-UHFFFAOYSA-N -1 3 308.328 3.144 20 10 DGCDHM CCOc1ccccc1[C@H](CC)NC(=O)c1cccc(O)c1[O-] ZINC000790621367 625678636 /nfs/dbraw/zinc/67/86/36/625678636.db2.gz ODELKQSHWSJGNC-AWEZNQCLSA-N -1 3 315.369 3.378 20 10 DGCDHM Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)c([O-])c1O ZINC000780863239 623991710 /nfs/dbraw/zinc/99/17/10/623991710.db2.gz RFQVWLSDIHOQCB-UHFFFAOYSA-N -1 3 321.716 3.041 20 10 DGCDHM Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780933452 623999899 /nfs/dbraw/zinc/99/98/99/623999899.db2.gz MXURPRUWWQFVHA-UHFFFAOYSA-N -1 3 323.352 3.153 20 10 DGCDHM CCCCCn1nc(C)cc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780959791 624003691 /nfs/dbraw/zinc/00/36/91/624003691.db2.gz ONFSJMOWINMBAA-UHFFFAOYSA-N -1 3 317.389 3.354 20 10 DGCDHM CC[C@@H](C)n1nc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC000781018085 624010765 /nfs/dbraw/zinc/01/07/65/624010765.db2.gz QJZVAGGSTNVNSG-SNVBAGLBSA-N -1 3 303.362 3.134 20 10 DGCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000790922623 625716293 /nfs/dbraw/zinc/71/62/93/625716293.db2.gz RTEXWOOQTXOZMS-QYMJWVLRSA-N -1 3 309.365 3.416 20 10 DGCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000787420683 625008722 /nfs/dbraw/zinc/00/87/22/625008722.db2.gz KNMLHKLBSPVIPU-KWQFWETISA-N -1 3 318.200 3.082 20 10 DGCDHM CCOC(=O)[C@@H](CC)N(Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000787438562 625010928 /nfs/dbraw/zinc/01/09/28/625010928.db2.gz BWXBRKRXIRMOIP-CQSZACIVSA-N -1 3 311.809 3.352 20 10 DGCDHM Cn1ncc2c1CCC[C@@H]2NCc1c([O-])ccc(Cl)c1F ZINC000790950179 625720615 /nfs/dbraw/zinc/72/06/15/625720615.db2.gz MIFQRUSTNCZWBX-LBPRGKRZSA-N -1 3 309.772 3.085 20 10 DGCDHM Cn1ncc2c1CCC[C@H]2NCc1c([O-])ccc(Cl)c1F ZINC000790950177 625720892 /nfs/dbraw/zinc/72/08/92/625720892.db2.gz MIFQRUSTNCZWBX-GFCCVEGCSA-N -1 3 309.772 3.085 20 10 DGCDHM [O-]c1c(F)cc(F)cc1CN[C@H]1CCOc2ccc(F)cc21 ZINC000882991303 625887785 /nfs/dbraw/zinc/88/77/85/625887785.db2.gz UTDCANIVEIVJEQ-AWEZNQCLSA-N -1 3 309.287 3.423 20 10 DGCDHM COc1ccc2c(c1)OCC[C@@H]2NCc1cc(F)cc(F)c1[O-] ZINC000883018676 625898978 /nfs/dbraw/zinc/89/89/78/625898978.db2.gz LMPYUHSXKYFCKY-HNNXBMFYSA-N -1 3 321.323 3.292 20 10 DGCDHM O=C(N[C@H]1CC[C@H](c2ccc(F)cc2)C1)c1cccc(O)c1[O-] ZINC000792630965 625967685 /nfs/dbraw/zinc/96/76/85/625967685.db2.gz XQKZLKWZFBGWFL-JSGCOSHPSA-N -1 3 315.344 3.303 20 10 DGCDHM CC[C@H](NCc1csc(N(C)C)n1)c1ccc(F)cc1[O-] ZINC000796777057 626081391 /nfs/dbraw/zinc/08/13/91/626081391.db2.gz AIDMQXIXYQQVJE-ZDUSSCGKSA-N -1 3 309.410 3.295 20 10 DGCDHM CC[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1ccc(F)cc1[O-] ZINC000796860691 626091154 /nfs/dbraw/zinc/09/11/54/626091154.db2.gz XPLZWVJXXMHERI-CYBMUJFWSA-N -1 3 316.332 3.425 20 10 DGCDHM Cc1ccncc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000798961928 626263259 /nfs/dbraw/zinc/26/32/59/626263259.db2.gz ILHHMDABUNSBAO-UHFFFAOYSA-N -1 3 317.820 3.071 20 10 DGCDHM C[C@H](Nc1ccc(OC2COC2)cc1)c1c([O-])cccc1F ZINC000886597225 627170739 /nfs/dbraw/zinc/17/07/39/627170739.db2.gz ZOVSOQCRVCHZJX-NSHDSACASA-N -1 3 303.333 3.482 20 10 DGCDHM CC(C)(C)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1O ZINC000816560691 627808025 /nfs/dbraw/zinc/80/80/25/627808025.db2.gz XMVVMXNXNDFUIL-IAQYHMDHSA-N -1 3 315.816 3.414 20 10 DGCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](OC(F)F)C1 ZINC000816566343 627809216 /nfs/dbraw/zinc/80/92/16/627809216.db2.gz RTOUVSNTLRCJPW-SECBINFHSA-N -1 3 309.715 3.388 20 10 DGCDHM CC(C)[C@]1(CO)CCCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000816662143 627821444 /nfs/dbraw/zinc/82/14/44/627821444.db2.gz IPUKEEJFGJTERJ-MRXNPFEDSA-N -1 3 315.816 3.415 20 10 DGCDHM CC[C@@H](OC1CCCCC1)C(=O)NCc1c([O-])cccc1F ZINC000928706587 628179611 /nfs/dbraw/zinc/17/96/11/628179611.db2.gz XSXYLEBEQUJHFF-MRXNPFEDSA-N -1 3 309.381 3.275 20 10 DGCDHM c1cc(-c2nnn[n-]2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000823743085 628593190 /nfs/dbraw/zinc/59/31/90/628593190.db2.gz SLILIVBXXMEKAL-UHFFFAOYSA-N -1 3 321.384 3.046 20 10 DGCDHM c1cc(-c2nn[n-]n2)ccc1COc1ccc(N2CCCC2)cc1 ZINC000823743085 628593193 /nfs/dbraw/zinc/59/31/93/628593193.db2.gz SLILIVBXXMEKAL-UHFFFAOYSA-N -1 3 321.384 3.046 20 10 DGCDHM CO[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)CC1(C)C ZINC000824820212 628697672 /nfs/dbraw/zinc/69/76/72/628697672.db2.gz BNQCTBSUTDALPC-ZDUSSCGKSA-N -1 3 301.789 3.432 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])[C@@H](C)[C@H](C)O1 ZINC000825634627 628779893 /nfs/dbraw/zinc/77/98/93/628779893.db2.gz PAXHMMUAVVHZFN-VWYCJHECSA-N -1 3 314.223 3.152 20 10 DGCDHM Cc1cc([O-])c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1Cl ZINC000826023917 628820986 /nfs/dbraw/zinc/82/09/86/628820986.db2.gz KZFNRBWYERPTQD-SJORKVTESA-N -1 3 307.821 3.497 20 10 DGCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H]1C ZINC000831527001 629385868 /nfs/dbraw/zinc/38/58/68/629385868.db2.gz BBBYJJATGTWFIX-MEBBXXQBSA-N -1 3 311.809 3.105 20 10 DGCDHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(C)c1 ZINC000003076375 630098515 /nfs/dbraw/zinc/09/85/15/630098515.db2.gz KDRUYGHTIBRMSV-UHFFFAOYSA-N -1 3 305.399 3.427 20 10 DGCDHM CC[C@H](Nc1ccc2c(c1)nnn2C)c1ccc(F)cc1[O-] ZINC000842900254 630592288 /nfs/dbraw/zinc/59/22/88/630592288.db2.gz GQZHQMRAYGOUCG-ZDUSSCGKSA-N -1 3 300.337 3.376 20 10 DGCDHM COc1c(C)cccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848560030 631692968 /nfs/dbraw/zinc/69/29/68/631692968.db2.gz JFYXAJLBRYGPJC-GFCCVEGCSA-N -1 3 316.357 3.468 20 10 DGCDHM COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000185350584 660217485 /nfs/dbraw/zinc/21/74/85/660217485.db2.gz YXQFBZDFCINDKU-SNVBAGLBSA-N -1 3 320.320 3.299 20 10 DGCDHM CC[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)O1 ZINC000708351416 660920280 /nfs/dbraw/zinc/92/02/80/660920280.db2.gz XQCQPQMPBCZSGM-GWCFXTLKSA-N -1 3 314.223 3.154 20 10 DGCDHM CC(=O)c1cc(F)cc(CN2CCc3sccc3C2)c1[O-] ZINC000050132349 655636036 /nfs/dbraw/zinc/63/60/36/655636036.db2.gz KWABOWKYKCEIMH-UHFFFAOYSA-N -1 3 305.374 3.354 20 10 DGCDHM [O-]c1cccc(Cl)c1CNc1cnc(Br)cn1 ZINC000795798186 661172222 /nfs/dbraw/zinc/17/22/22/661172222.db2.gz LAUNKJOODRCODC-UHFFFAOYSA-N -1 3 314.570 3.210 20 10 DGCDHM CCOCc1cccc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177679760 655939170 /nfs/dbraw/zinc/93/91/70/655939170.db2.gz YCFVSOWVTYTGNP-UHFFFAOYSA-N -1 3 301.342 3.195 20 10 DGCDHM CCn1ncc2ccc(NC(=O)c3ccc(C)c(O)c3[O-])cc21 ZINC000182251439 660039787 /nfs/dbraw/zinc/03/97/87/660039787.db2.gz YQXVBASPEZTPNX-UHFFFAOYSA-N -1 3 311.341 3.028 20 10 DGCDHM CON(Cc1ccccc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000183088453 660101328 /nfs/dbraw/zinc/10/13/28/660101328.db2.gz GRRRNVWABFQJTL-UHFFFAOYSA-N -1 3 303.333 3.298 20 10 DGCDHM CC(C)CCn1nccc1NC(=O)NCc1c([O-])cccc1F ZINC000930947701 661441176 /nfs/dbraw/zinc/44/11/76/661441176.db2.gz SZIBQIGVLHBPNS-UHFFFAOYSA-N -1 3 320.368 3.096 20 10 DGCDHM CCO[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000155447500 661847117 /nfs/dbraw/zinc/84/71/17/661847117.db2.gz BRJYBWPTCLPVAT-LBPRGKRZSA-N -1 3 314.223 3.156 20 10 DGCDHM CC(=O)c1cc(Cl)cc(CN(C)C[C@@H]2CCCCO2)c1[O-] ZINC000048949091 661897666 /nfs/dbraw/zinc/89/76/66/661897666.db2.gz YZGOBBYNKBZSSV-AWEZNQCLSA-N -1 3 311.809 3.249 20 10 DGCDHM C[N@H+](Cc1ccccc1[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091956688 662324993 /nfs/dbraw/zinc/32/49/93/662324993.db2.gz QCJFYIRZZPAEOY-UHFFFAOYSA-N -1 3 322.748 3.291 20 10 DGCDHM C[N@@H+](Cc1ccccc1[O-])Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091956688 662324994 /nfs/dbraw/zinc/32/49/94/662324994.db2.gz QCJFYIRZZPAEOY-UHFFFAOYSA-N -1 3 322.748 3.291 20 10 DGCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CCN1CC(F)(F)F ZINC000092102927 662327055 /nfs/dbraw/zinc/32/70/55/662327055.db2.gz AYGMMFKAEZKOCY-SNVBAGLBSA-N -1 3 322.758 3.114 20 10 DGCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000092486738 662332137 /nfs/dbraw/zinc/33/21/37/662332137.db2.gz LJWNGPQPPDATNA-GXFFZTMASA-N -1 3 314.223 3.154 20 10 DGCDHM CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])C[C@H](CC)O1 ZINC000398443518 685237355 /nfs/dbraw/zinc/23/73/55/685237355.db2.gz PVVYLNYPHWBXCQ-GJZGRUSLSA-N -1 3 309.381 3.123 20 10 DGCDHM O=C(NCc1ccsc1C(F)(F)F)c1cccc(O)c1[O-] ZINC001586761518 1192349218 /nfs/dbraw/zinc/34/92/18/1192349218.db2.gz ILDLJIQYLLZSML-UHFFFAOYSA-N -1 3 317.288 3.108 20 10 DGCDHM CCCN(Cc1ccc(F)cc1F)C(=O)c1cccc(O)c1[O-] ZINC001594938300 1192650210 /nfs/dbraw/zinc/65/02/10/1192650210.db2.gz JUDSPYWSAIEPDQ-UHFFFAOYSA-N -1 3 321.323 3.428 20 10 DGCDHM CCCN(C)c1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001596911949 1192710384 /nfs/dbraw/zinc/71/03/84/1192710384.db2.gz JJCVQUVHDDSAMC-UHFFFAOYSA-N -1 3 316.376 3.308 20 10 DGCDHM O=C(Nc1cccc(-c2nccs2)c1)c1cccc(O)c1[O-] ZINC001596794330 1192705961 /nfs/dbraw/zinc/70/59/61/1192705961.db2.gz RBRAOTWPNTYGKU-UHFFFAOYSA-N -1 3 312.350 3.474 20 10 DGCDHM Cc1cc(Cl)nc(CN[C@@H](C)c2cc(C(=O)[O-])ccc2O)c1 ZINC001600220166 1192813425 /nfs/dbraw/zinc/81/34/25/1192813425.db2.gz LNLGHXDDWFFWDU-JTQLQIEISA-N -1 3 320.776 3.298 20 10 DGCDHM O=C([O-])CCC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001601990281 1192955067 /nfs/dbraw/zinc/95/50/67/1192955067.db2.gz YKZKVBVOXQOXKV-UHFFFAOYSA-N -1 3 317.360 3.398 20 10 DGCDHM O=C([O-])CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1[O-] ZINC001601990281 1192955070 /nfs/dbraw/zinc/95/50/70/1192955070.db2.gz YKZKVBVOXQOXKV-UHFFFAOYSA-N -1 3 317.360 3.398 20 10 DGCDHM Cc1cc(CNCc2cc(C)cc(Br)c2[O-])on1 ZINC001200244659 1180480161 /nfs/dbraw/zinc/48/01/61/1180480161.db2.gz WFMAHTYJXZUJNS-UHFFFAOYSA-N -1 3 311.179 3.049 20 10 DGCDHM CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1[O-] ZINC001604983744 1193104105 /nfs/dbraw/zinc/10/41/05/1193104105.db2.gz MVZUOTGZAKAFKF-SCZZXKLOSA-N -1 3 305.296 3.472 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1[nH]ccc1-c1ccccc1 ZINC001456030982 1182395067 /nfs/dbraw/zinc/39/50/67/1182395067.db2.gz URCBZCNNYKNUGO-UHFFFAOYSA-N -1 3 310.328 3.456 20 10 DGCDHM Cc1ccc(CNc2ccc(C3CC3)c(-c3nnn[n-]3)c2)c(O)c1 ZINC001605856283 1193180967 /nfs/dbraw/zinc/18/09/67/1193180967.db2.gz KDXNGIBFGFCHHS-UHFFFAOYSA-N -1 3 321.384 3.370 20 10 DGCDHM Cc1ccc(CNc2ccc(C3CC3)c(-c3nn[n-]n3)c2)c(O)c1 ZINC001605856283 1193180970 /nfs/dbraw/zinc/18/09/70/1193180970.db2.gz KDXNGIBFGFCHHS-UHFFFAOYSA-N -1 3 321.384 3.370 20 10 DGCDHM CCc1oc(CN[C@H](C)c2cc(OC)ccc2O)cc1C(=O)[O-] ZINC001605891830 1193183193 /nfs/dbraw/zinc/18/31/93/1193183193.db2.gz IQJHPZFCZGCCHN-SNVBAGLBSA-N -1 3 319.357 3.105 20 10 DGCDHM CC[C@H](C)c1nnc([C@H](C)NCc2cc(F)c(F)cc2[O-])[nH]1 ZINC001462184217 1182920739 /nfs/dbraw/zinc/92/07/39/1182920739.db2.gz QJWBCSYYYZCBBC-IUCAKERBSA-N -1 3 310.348 3.153 20 10 DGCDHM C[C@@H](CNC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001469730345 1183432693 /nfs/dbraw/zinc/43/26/93/1183432693.db2.gz UZULEFIYZCEKTP-LBPRGKRZSA-N -1 3 302.349 3.134 20 10 DGCDHM C[C@H](C(=O)NCc1c([O-])cccc1F)c1ccc(F)cc1F ZINC001471976255 1183603971 /nfs/dbraw/zinc/60/39/71/1183603971.db2.gz USWBHGVVZGNHFO-VIFPVBQESA-N -1 3 309.287 3.229 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC001471975801 1183604555 /nfs/dbraw/zinc/60/45/55/1183604555.db2.gz HXHJRZAJCAXQPF-PWSUYJOCSA-N -1 3 321.298 3.229 20 10 DGCDHM Cc1cc([O-])c(CNCc2cn3ccccc3n2)c(Cl)c1 ZINC001473916134 1183827318 /nfs/dbraw/zinc/82/73/18/1183827318.db2.gz BHFXSEGPJYJSSP-UHFFFAOYSA-N -1 3 301.777 3.292 20 10 DGCDHM Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001474330737 1183905050 /nfs/dbraw/zinc/90/50/50/1183905050.db2.gz FJFWKWFHZSQAIU-OAHLLOKOSA-N -1 3 307.344 3.049 20 10 DGCDHM Cc1ccc([C@@H](C)NCc2ccc(Cl)c(C(=O)[O-])n2)c(O)c1 ZINC001607751768 1193253243 /nfs/dbraw/zinc/25/32/43/1193253243.db2.gz IIENILADEDXVDS-SNVBAGLBSA-N -1 3 320.776 3.298 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCO[C@H](C(F)(F)F)CC1 ZINC001474692664 1183963737 /nfs/dbraw/zinc/96/37/37/1183963737.db2.gz ANAWLFUNTIXJJO-LBPRGKRZSA-N -1 3 309.715 3.199 20 10 DGCDHM C[C@@H](NC(=O)NCc1c([O-])cccc1F)c1cccc(F)c1F ZINC001478254589 1184137502 /nfs/dbraw/zinc/13/75/02/1184137502.db2.gz OIVYUBNGJKJPMR-SECBINFHSA-N -1 3 324.302 3.370 20 10 DGCDHM C[C@H](N[C@H](C(=O)[O-])c1ccsc1)c1ccc(N(C)C)cc1 ZINC001609778270 1193355691 /nfs/dbraw/zinc/35/56/91/1193355691.db2.gz YKHCGBQDGBZDPJ-NHYWBVRUSA-N -1 3 304.415 3.291 20 10 DGCDHM C[C@@H](NCc1ccsc1C(=O)[O-])c1ccc(N(C)C)cc1 ZINC001609782482 1193356832 /nfs/dbraw/zinc/35/68/32/1193356832.db2.gz SCWQDKNDMYEMMC-LLVKDONJSA-N -1 3 304.415 3.363 20 10 DGCDHM Cc1csc(CCC[NH2+][C@H](C)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC001610546474 1193397579 /nfs/dbraw/zinc/39/75/79/1193397579.db2.gz UABKVUNUQMWHHC-LLVKDONJSA-N -1 3 320.414 3.139 20 10 DGCDHM Nc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000034955880 1193578689 /nfs/dbraw/zinc/57/86/89/1193578689.db2.gz SWHQTPSVQMAICF-UHFFFAOYSA-N -1 3 317.197 3.376 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc2c1OCC[C@@H]2O ZINC001560736729 1189370463 /nfs/dbraw/zinc/37/04/63/1189370463.db2.gz XXJHBIWHRWMTGH-AWEZNQCLSA-N -1 3 307.296 3.098 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1c[nH]nc1-c1ccccn1 ZINC001621216060 1193817207 /nfs/dbraw/zinc/81/72/07/1193817207.db2.gz GFHVILILPOCEPV-UHFFFAOYSA-N -1 3 302.284 3.068 20 10 DGCDHM Cn1ccc2cccc(NC(=O)NCc3c([O-])cccc3F)c21 ZINC001623748598 1193957461 /nfs/dbraw/zinc/95/74/61/1193957461.db2.gz KIFJVGYRDHGQOG-UHFFFAOYSA-N -1 3 313.332 3.345 20 10 DGCDHM O=C(NCc1ccnc(-c2ccccc2)c1)c1cccc(O)c1[O-] ZINC001631441412 1194335152 /nfs/dbraw/zinc/33/51/52/1194335152.db2.gz IBZDZZLPMRBLNU-UHFFFAOYSA-N -1 3 320.348 3.090 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001634725105 1194511827 /nfs/dbraw/zinc/51/18/27/1194511827.db2.gz NWQRQMZRXCLPKL-IUODEOHRSA-N -1 3 318.323 3.026 20 10 DGCDHM CC[C@@H](NC(=O)c1cccc(O)c1[O-])c1cc(F)ccc1OC ZINC001638715518 1194733642 /nfs/dbraw/zinc/73/36/42/1194733642.db2.gz BODKHTYWWUIRSK-CYBMUJFWSA-N -1 3 319.332 3.127 20 10 DGCDHM CC[C@](C)(NC(=O)c1cccc(O)c1[O-])c1ccc(F)cc1 ZINC001643369065 1195018568 /nfs/dbraw/zinc/01/85/68/1195018568.db2.gz ALFIXVHYUKWODO-KRWDZBQOSA-N -1 3 303.333 3.292 20 10 DGCDHM CSc1ccc(C)c(C(=O)NCc2c([O-])cccc2F)c1 ZINC001645048517 1195152229 /nfs/dbraw/zinc/15/22/29/1195152229.db2.gz YRHDXROAHQICCK-UHFFFAOYSA-N -1 3 305.374 3.492 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc2c(cccc2F)[nH]1 ZINC001645048233 1195152309 /nfs/dbraw/zinc/15/23/09/1195152309.db2.gz MNQIKISIKBGWQA-UHFFFAOYSA-N -1 3 302.280 3.082 20 10 DGCDHM O=C(CCCOc1ccc(F)cc1)NCc1c([O-])cccc1F ZINC001645047907 1195152392 /nfs/dbraw/zinc/15/23/92/1195152392.db2.gz CHMAFEOOTSMJQE-UHFFFAOYSA-N -1 3 321.323 3.146 20 10 DGCDHM CC[C@@H](Oc1ccccc1C)C(=O)NCc1c([O-])cccc1F ZINC001645048331 1195152488 /nfs/dbraw/zinc/15/24/88/1195152488.db2.gz QHSREBNWMGOVGJ-MRXNPFEDSA-N -1 3 317.360 3.314 20 10 DGCDHM Cc1ccc(C(=O)Nc2ccc(Cl)c(N(C)C)c2)c([O-])c1O ZINC001645085381 1195155256 /nfs/dbraw/zinc/15/52/56/1195155256.db2.gz ONPPPBUTXDFTRS-UHFFFAOYSA-N -1 3 320.776 3.378 20 10 DGCDHM Cc1ccc2c(c1)S[C@H](C(=O)NCc1c([O-])cccc1F)C2 ZINC001646033524 1195211259 /nfs/dbraw/zinc/21/12/59/1195211259.db2.gz AJPONKSCOWVOJD-INIZCTEOSA-N -1 3 317.385 3.173 20 10 DGCDHM O=C(NCc1c([O-])cccc1F)c1cc(Cl)nc(C2CC2)c1 ZINC001646035204 1195211555 /nfs/dbraw/zinc/21/15/55/1195211555.db2.gz RPPGWJDPANGPOO-UHFFFAOYSA-N -1 3 320.751 3.387 20 10 DGCDHM CCc1ccccc1OCCC(=O)NCc1c([O-])cccc1F ZINC001652297938 1195576316 /nfs/dbraw/zinc/57/63/16/1195576316.db2.gz CERMMCYONXRHQO-UHFFFAOYSA-N -1 3 317.360 3.179 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNCc1nccc2c1CCCC2 ZINC001653097354 1195687561 /nfs/dbraw/zinc/68/75/61/1195687561.db2.gz GSFFOCVYFCADKR-UHFFFAOYSA-N -1 3 304.340 3.234 20 10 DGCDHM COc1cncc(NCc2cc(C)cc(Br)c2[O-])c1 ZINC001656758869 1196069125 /nfs/dbraw/zinc/06/91/25/1196069125.db2.gz GDQWPQPNWQVXTH-UHFFFAOYSA-N -1 3 323.190 3.479 20 10 DGCDHM [O-]c1cc(F)c(F)cc1CNc1cccc(-c2nnco2)c1 ZINC001657516677 1196150491 /nfs/dbraw/zinc/15/04/91/1196150491.db2.gz IODMHTSQVGZMAZ-UHFFFAOYSA-N -1 3 303.268 3.333 20 10 DGCDHM CCNC(=O)c1ccc(NCc2cc(F)c(F)cc2[O-])cc1 ZINC001659557472 1196394877 /nfs/dbraw/zinc/39/48/77/1196394877.db2.gz SRRSAEPVVRIDMQ-UHFFFAOYSA-N -1 3 306.312 3.032 20 10 DGCDHM C[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])Cc2ccccc2O1 ZINC001659908865 1196427679 /nfs/dbraw/zinc/42/76/79/1196427679.db2.gz BHWIWXDJOYYQPA-LLVKDONJSA-N -1 3 305.324 3.454 20 10 DGCDHM [O-]c1cc(Cl)ccc1CN1CCOc2ccc(O)cc2C1 ZINC001660334622 1196472639 /nfs/dbraw/zinc/47/26/39/1196472639.db2.gz KTPKBDNRAMTLKS-UHFFFAOYSA-N -1 3 305.761 3.146 20 10 DGCDHM CCC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccccn1 ZINC001661311221 1196593511 /nfs/dbraw/zinc/59/35/11/1196593511.db2.gz XNQCLCXSJGDIRZ-CQSZACIVSA-N -1 3 301.346 3.326 20 10 DGCDHM C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])c2ccccc2C(=O)N1 ZINC001664905967 1197078665 /nfs/dbraw/zinc/07/86/65/1197078665.db2.gz KLAOBWZQEHGQKM-LLVKDONJSA-N -1 3 316.788 3.184 20 10 DGCDHM CC1(C)CC[C@@H](CO)N(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001665533800 1197148790 /nfs/dbraw/zinc/14/87/90/1197148790.db2.gz SLWYIEQKNNILGL-NSHDSACASA-N -1 3 301.789 3.168 20 10 DGCDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)cc2n[nH]cc21 ZINC001670020157 1197516722 /nfs/dbraw/zinc/51/67/22/1197516722.db2.gz JJQIOGRFVLDNMH-UHFFFAOYSA-N -1 3 314.320 3.038 20 10 DGCDHM CCc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1OC ZINC001670084901 1197519810 /nfs/dbraw/zinc/51/98/10/1197519810.db2.gz WHWRWVJNNBWUGT-UHFFFAOYSA-N -1 3 318.348 3.424 20 10 DGCDHM O=C(NCc1ccc(Cl)cc1)NCc1c([O-])cccc1F ZINC001681436632 1199003066 /nfs/dbraw/zinc/00/30/66/1199003066.db2.gz UTGJRIBSWOJVQC-UHFFFAOYSA-N -1 3 308.740 3.184 20 10 DGCDHM