smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C1(NCc2cc(F)cc(C(C)=O)c2[O-])CCCCC1 ZINC000079433615 185171333 /nfs/dbraw/zinc/17/13/33/185171333.db2.gz VPWMOWBODNOHKZ-UHFFFAOYSA-N -1 3 323.364 2.699 20 10 DFCDHM Cc1cc(Br)cc(CN(CCO)CC(F)F)c1[O-] ZINC000193022159 301069594 /nfs/dbraw/zinc/06/95/94/301069594.db2.gz FHBWIZPYXFGZSF-UHFFFAOYSA-N -1 3 324.165 2.523 20 10 DFCDHM C[C@@H](O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092969111 398610451 /nfs/dbraw/zinc/61/04/51/398610451.db2.gz FSGZGPFXFGVAPY-SNVBAGLBSA-N -1 3 314.223 2.748 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@@H](C(=O)OC)c1cccnc1 ZINC000154156688 283297235 /nfs/dbraw/zinc/29/72/35/283297235.db2.gz HRMABLJRCAXGFA-QGZVFWFLSA-N -1 3 314.385 2.914 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000079438491 399045276 /nfs/dbraw/zinc/04/52/76/399045276.db2.gz XMWPZNRZKMGPRS-LBPRGKRZSA-N -1 3 317.364 2.837 20 10 DFCDHM C[C@@H](N[C@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273406709 296163692 /nfs/dbraw/zinc/16/36/92/296163692.db2.gz ONOZPHIPYMEICZ-YGRLFVJLSA-N -1 3 316.361 2.762 20 10 DFCDHM CO[C@@H](C)c1nc(CNC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000272744310 130059896 /nfs/dbraw/zinc/05/98/96/130059896.db2.gz MSLKRRGSGSKWTG-VIFPVBQESA-N -1 3 322.386 2.500 20 10 DFCDHM C[C@H](N[C@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273406691 130117499 /nfs/dbraw/zinc/11/74/99/130117499.db2.gz ONOZPHIPYMEICZ-HZMBPMFUSA-N -1 3 316.361 2.762 20 10 DFCDHM COc1ncccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418127 130118610 /nfs/dbraw/zinc/11/86/10/130118610.db2.gz RKMKDFFOYPSBAC-SNVBAGLBSA-N -1 3 303.318 2.555 20 10 DFCDHM Cc1nn(C)cc1[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615823 130145589 /nfs/dbraw/zinc/14/55/89/130145589.db2.gz XJDYUUILLKJOBV-UWVGGRQHSA-N -1 3 304.350 2.754 20 10 DFCDHM [O-]c1cc(F)cc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000274445382 130235541 /nfs/dbraw/zinc/23/55/41/130235541.db2.gz PSFJHKVRKLVWSN-UHFFFAOYSA-N -1 3 316.376 2.658 20 10 DFCDHM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc(O)c1[O-] ZINC000275094540 130291583 /nfs/dbraw/zinc/29/15/83/130291583.db2.gz HSCBAMFUXCEMDP-LBPRGKRZSA-N -1 3 305.374 2.710 20 10 DFCDHM CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc(F)cc(C(C)=O)c4[O-])[C@H]1[C@H]3C2 ZINC000286422985 131235515 /nfs/dbraw/zinc/23/55/15/131235515.db2.gz IMVLYEXHPXHBCR-DOGAXHHXSA-N -1 3 319.376 2.589 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CCO)c1[O-] ZINC000050132865 425881529 /nfs/dbraw/zinc/88/15/29/425881529.db2.gz QFTUNAZMSLIOFE-AWEZNQCLSA-N -1 3 311.809 2.985 20 10 DFCDHM CCc1nc(NC(=O)CN(C)Cc2ccccc2[O-])sc1C ZINC000109773736 426032911 /nfs/dbraw/zinc/03/29/11/426032911.db2.gz PZEQTBIVNZFHQY-UHFFFAOYSA-N -1 3 319.430 2.790 20 10 DFCDHM CN(CC(=O)N1CCCc2ccccc21)Cc1ccccc1[O-] ZINC000171646567 426202237 /nfs/dbraw/zinc/20/22/37/426202237.db2.gz XFVGTHHGOLEYAC-UHFFFAOYSA-N -1 3 310.397 2.803 20 10 DFCDHM Cc1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)on1 ZINC000171934500 426219089 /nfs/dbraw/zinc/21/90/89/426219089.db2.gz OYVDTGRHUHVIGF-OAHLLOKOSA-N -1 3 302.374 2.870 20 10 DFCDHM CCCN(Cc1nc([C@@H](C)OC)no1)Cc1ccccc1[O-] ZINC000175284157 426294369 /nfs/dbraw/zinc/29/43/69/426294369.db2.gz WRYOMUFKYVWUTG-GFCCVEGCSA-N -1 3 305.378 2.895 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCC(Nc2cccnn2)CC1 ZINC000120309753 426309744 /nfs/dbraw/zinc/30/97/44/426309744.db2.gz LAKWITSSDZLNSO-UHFFFAOYSA-N -1 3 318.808 2.912 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c([O-])c1 ZINC000091927918 426345232 /nfs/dbraw/zinc/34/52/32/426345232.db2.gz YYUTVSIOUWCEPO-ZWKOTPCHSA-N -1 3 321.417 2.561 20 10 DFCDHM C[C@H]1OCCN(Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000093417627 426356745 /nfs/dbraw/zinc/35/67/45/426356745.db2.gz WWRNOWKQFJODBZ-VHSXEESVSA-N -1 3 300.196 2.764 20 10 DFCDHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280304280 426545244 /nfs/dbraw/zinc/54/52/44/426545244.db2.gz PBVJMKZYUQLSAO-BLLLJJGKSA-N -1 3 311.809 2.734 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@](C)(O)CC2)c1[O-] ZINC000230359480 426648531 /nfs/dbraw/zinc/64/85/31/426648531.db2.gz XHKBUMDXBLXTSE-INIZCTEOSA-N -1 3 311.809 2.985 20 10 DFCDHM CCCOc1ccc(CNCc2nnc(CC)s2)c([O-])c1 ZINC000289809939 426675679 /nfs/dbraw/zinc/67/56/79/426675679.db2.gz MWPOYOFNPZOODA-UHFFFAOYSA-N -1 3 307.419 2.885 20 10 DFCDHM C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273589331 426692507 /nfs/dbraw/zinc/69/25/07/426692507.db2.gz OTADFUXCNDAENL-POJUEXTFSA-N -1 3 314.341 2.609 20 10 DFCDHM [O-]c1ccc(F)cc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281764731 426761825 /nfs/dbraw/zinc/76/18/25/426761825.db2.gz LSWZSKQTDORETA-JKSUJKDBSA-N -1 3 305.324 2.978 20 10 DFCDHM CC(C)OCc1nc([C@@H](C)NCc2cc(F)ccc2[O-])no1 ZINC000290836836 426851850 /nfs/dbraw/zinc/85/18/50/426851850.db2.gz HZJNKACYIJIOQB-SNVBAGLBSA-N -1 3 309.341 2.690 20 10 DFCDHM COc1ccc(CNCc2cccc(Cl)c2[O-])c(OC)n1 ZINC000290898035 426863982 /nfs/dbraw/zinc/86/39/82/426863982.db2.gz LWVQOAHLLFOGEH-UHFFFAOYSA-N -1 3 308.765 2.748 20 10 DFCDHM [O-]c1c(Cl)cccc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000282277110 426868986 /nfs/dbraw/zinc/86/89/86/426868986.db2.gz KUXZTVSXYPMCQW-QGZVFWFLSA-N -1 3 319.788 2.806 20 10 DFCDHM CCCCN(CC(=O)Nc1cc(C)on1)Cc1ccccc1[O-] ZINC000282426458 426909399 /nfs/dbraw/zinc/90/93/99/426909399.db2.gz JTFMDCHINUPYQE-UHFFFAOYSA-N -1 3 317.389 2.929 20 10 DFCDHM C[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000296122454 427084018 /nfs/dbraw/zinc/08/40/18/427084018.db2.gz OIWOXXBWGJWPBD-IUCAKERBSA-N -1 3 303.280 2.901 20 10 DFCDHM CCn1cc([C@H]2CN(Cc3c([O-])cccc3Cl)CCO2)cn1 ZINC000276788677 427119984 /nfs/dbraw/zinc/11/99/84/427119984.db2.gz KRXWEVMNQUMCCX-MRXNPFEDSA-N -1 3 321.808 2.836 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](CO)c3ccccc32)c1[O-] ZINC000292708833 427197378 /nfs/dbraw/zinc/19/73/78/427197378.db2.gz OEQNAZYRHAQUKH-ZDUSSCGKSA-N -1 3 315.344 2.830 20 10 DFCDHM Cn1cnnc1CN[C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293601010 427376561 /nfs/dbraw/zinc/37/65/61/427376561.db2.gz GBGIYAVADILDIG-QGZVFWFLSA-N -1 3 322.412 2.984 20 10 DFCDHM CC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000278017173 427385811 /nfs/dbraw/zinc/38/58/11/427385811.db2.gz UYVBGLPIMQAKRT-UHFFFAOYSA-N -1 3 310.781 2.856 20 10 DFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271083174 427398918 /nfs/dbraw/zinc/39/89/18/427398918.db2.gz JSYIRCXVPSRVJT-QMMMGPOBSA-N -1 3 304.173 2.694 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@H](C)c1nnnn1C1CC1 ZINC000192049447 427471515 /nfs/dbraw/zinc/47/15/15/427471515.db2.gz MAHUZFKLKODOEL-GFCCVEGCSA-N -1 3 301.394 2.687 20 10 DFCDHM COc1c([O-])c(CN2CCOC[C@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278178676 427425583 /nfs/dbraw/zinc/42/55/83/427425583.db2.gz GRMXDNULPHUAKG-CYBMUJFWSA-N -1 3 324.377 2.556 20 10 DFCDHM CCC1(O)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271181738 427434190 /nfs/dbraw/zinc/43/41/90/427434190.db2.gz HVKXBPCUVIPDJH-UHFFFAOYSA-N -1 3 314.769 2.691 20 10 DFCDHM COc1c([O-])c(CN[C@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278530469 427444136 /nfs/dbraw/zinc/44/41/36/427444136.db2.gz UYXZPCZQTLFMQW-SECBINFHSA-N -1 3 323.374 2.925 20 10 DFCDHM COc1c([O-])c(CN[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278932906 427503997 /nfs/dbraw/zinc/50/39/97/427503997.db2.gz WPVHYSPNXDFNNQ-SNVBAGLBSA-N -1 3 318.329 2.865 20 10 DFCDHM COC(=O)[C@H](C)N(Cc1cc(F)cc(C(C)=O)c1[O-])C1CCC1 ZINC000192381762 427533922 /nfs/dbraw/zinc/53/39/22/427533922.db2.gz HFASNMRUZLPLOE-JTQLQIEISA-N -1 3 323.364 2.650 20 10 DFCDHM CC[C@H](N[C@H]1CCCn2nc(COC)nc21)c1ccccc1[O-] ZINC000185213969 427614239 /nfs/dbraw/zinc/61/42/39/427614239.db2.gz JMSIOXGRLOTETO-KBPBESRZSA-N -1 3 316.405 2.706 20 10 DFCDHM C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(F)cc1[O-] ZINC000184877726 427556921 /nfs/dbraw/zinc/55/69/21/427556921.db2.gz VBYGWLWLVGYJKI-LLVKDONJSA-N -1 3 304.369 2.700 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@@H](c3cnn(C)c3)C2)c1[O-] ZINC000271749548 427586701 /nfs/dbraw/zinc/58/67/01/427586701.db2.gz BRBJVFXYHSWNLD-OAHLLOKOSA-N -1 3 321.808 2.661 20 10 DFCDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)NC(C)(C)C ZINC000294269083 427604746 /nfs/dbraw/zinc/60/47/46/427604746.db2.gz OJEPTOCCCPYCCH-QMMMGPOBSA-N -1 3 302.777 2.578 20 10 DFCDHM O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000193007658 427648961 /nfs/dbraw/zinc/64/89/61/427648961.db2.gz OIQVSKJCZLEZCM-JKSUJKDBSA-N -1 3 313.353 2.748 20 10 DFCDHM Cc1nocc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000294804902 427660192 /nfs/dbraw/zinc/66/01/92/427660192.db2.gz DPFQTQWYWADIBK-INIZCTEOSA-N -1 3 302.374 2.870 20 10 DFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1OC1CCCC1 ZINC000279999863 427726890 /nfs/dbraw/zinc/72/68/90/427726890.db2.gz FXHBXZDXOCWSQI-UHFFFAOYSA-N -1 3 324.764 2.684 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2cccc(F)c2)C1 ZINC000370609682 428252573 /nfs/dbraw/zinc/25/25/73/428252573.db2.gz CDDJSHIEZOAPIA-GFCCVEGCSA-N -1 3 301.317 2.867 20 10 DFCDHM NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cccc(Cl)c1[O-] ZINC000371422984 428389224 /nfs/dbraw/zinc/38/92/24/428389224.db2.gz HZIAMNJFVVDMAI-SWHYSGLUSA-N -1 3 308.809 2.664 20 10 DFCDHM O=C(N[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000371338091 428383416 /nfs/dbraw/zinc/38/34/16/428383416.db2.gz YLKMARNPCVRNPX-AWEZNQCLSA-N -1 3 308.809 2.536 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCO[C@@H](c2noc(C)n2)C1 ZINC000372595714 428472577 /nfs/dbraw/zinc/47/25/77/428472577.db2.gz QOSULZGXBPSCMP-UKRRQHHQSA-N -1 3 303.362 2.608 20 10 DFCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373493050 428591622 /nfs/dbraw/zinc/59/16/22/428591622.db2.gz GYZFOJKWPWWJFE-CZUORRHYSA-N -1 3 311.809 2.816 20 10 DFCDHM CCc1cc(=O)[n-]c(CN2CC=C(c3ccc(N(C)C)cc3)C2)n1 ZINC000374782431 428750560 /nfs/dbraw/zinc/75/05/60/428750560.db2.gz PGHRAMSTBFYRJG-UHFFFAOYSA-N -1 3 324.428 2.710 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CNC[C@H]1COC2(CCCC2)O1 ZINC000364470495 429208725 /nfs/dbraw/zinc/20/87/25/429208725.db2.gz CHXDNKGAFNBBFN-JTQLQIEISA-N -1 3 315.772 2.960 20 10 DFCDHM Cn1cc(C[C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000364473234 429211261 /nfs/dbraw/zinc/21/12/61/429211261.db2.gz RBALXJYWVTTYRT-LLVKDONJSA-N -1 3 323.799 2.983 20 10 DFCDHM O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000365759485 429369343 /nfs/dbraw/zinc/36/93/43/429369343.db2.gz TUWVSNOPFQJZDS-CZUORRHYSA-N -1 3 313.353 2.605 20 10 DFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCO[C@@H]2C[C@@H]21 ZINC000366517652 429468517 /nfs/dbraw/zinc/46/85/17/429468517.db2.gz GZXDHLGFZVVCMQ-PKOBYXMFSA-N -1 3 311.381 2.944 20 10 DFCDHM Cc1nc([C@@H]2CCCCN2Cc2cc3c(cc2[O-])OCO3)no1 ZINC000367474337 429657805 /nfs/dbraw/zinc/65/78/05/429657805.db2.gz FHAKXGQMMLAEHU-LBPRGKRZSA-N -1 3 317.345 2.540 20 10 DFCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])c2cc(F)ccc2C(=O)N1 ZINC000368221324 429811947 /nfs/dbraw/zinc/81/19/47/429811947.db2.gz GGXHUFFQHFUQCM-JTQLQIEISA-N -1 3 318.323 2.809 20 10 DFCDHM CC(C)C[C@@H]1C(=O)NCCCN1Cc1cccc(Cl)c1[O-] ZINC000293616064 335110136 /nfs/dbraw/zinc/11/01/36/335110136.db2.gz KKBBRWGKJWYXTO-CQSZACIVSA-N -1 3 310.825 2.782 20 10 DFCDHM COc1ccncc1CNCc1cc(Cl)cc(OC)c1[O-] ZINC000293841754 335115189 /nfs/dbraw/zinc/11/51/89/335115189.db2.gz HDROTKDNZYAOKR-UHFFFAOYSA-N -1 3 308.765 2.748 20 10 DFCDHM Cc1csc(C(C)(C)NC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000179503771 333151506 /nfs/dbraw/zinc/15/15/06/333151506.db2.gz NSJALLGRPOGTBL-UHFFFAOYSA-N -1 3 306.387 2.836 20 10 DFCDHM COc1c([O-])c(CN2CCC(F)(F)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000291472923 334179071 /nfs/dbraw/zinc/17/90/71/334179071.db2.gz FBNVTZINWAYWSI-VIFPVBQESA-N -1 3 316.304 2.786 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](Nc2ncccn2)C1 ZINC000301212783 336295198 /nfs/dbraw/zinc/29/51/98/336295198.db2.gz WRVLAQHCFARVPJ-CQSZACIVSA-N -1 3 318.808 2.912 20 10 DFCDHM Cc1cc([C@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000371663354 336910244 /nfs/dbraw/zinc/91/02/44/336910244.db2.gz CYASLJDJQITDLN-CYBMUJFWSA-N -1 3 302.330 2.680 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2cccnc2)CC1 ZINC000375689500 337016670 /nfs/dbraw/zinc/01/66/70/337016670.db2.gz HRKAQPFOXCMWKL-UHFFFAOYSA-N -1 3 312.369 2.588 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CCN(C)[C@@H]3C2)c1[O-] ZINC000376495424 337035016 /nfs/dbraw/zinc/03/50/16/337035016.db2.gz OBMLEVQSVGNFTO-BLLLJJGKSA-N -1 3 322.836 2.774 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CCN(C)[C@@H]3C2)c1[O-] ZINC000376495426 337035042 /nfs/dbraw/zinc/03/50/42/337035042.db2.gz OBMLEVQSVGNFTO-MLGOLLRUSA-N -1 3 322.836 2.774 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCO[C@H](c2nnc(C)o2)C1 ZINC000377713715 337059492 /nfs/dbraw/zinc/05/94/92/337059492.db2.gz AKUKRIQPSWLMPE-HIFRSBDPSA-N -1 3 303.362 2.608 20 10 DFCDHM Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(O)c3[O-])c2)n[nH]1 ZINC000179441763 337169542 /nfs/dbraw/zinc/16/95/42/337169542.db2.gz OBPQRYIDPUSHML-UHFFFAOYSA-N -1 3 324.340 2.752 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCO[C@@H](c2cccc(O)c2)C1 ZINC000180165097 337175079 /nfs/dbraw/zinc/17/50/79/337175079.db2.gz RMSJJDDOMVJCOY-QGZVFWFLSA-N -1 3 303.333 2.810 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000180707789 337177415 /nfs/dbraw/zinc/17/74/15/337177415.db2.gz AAPHOAUFLWFWMM-LSDHHAIUSA-N -1 3 311.809 2.734 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCOc3ccc(F)cc32)c([O-])c1O ZINC000182414996 337188359 /nfs/dbraw/zinc/18/83/59/337188359.db2.gz VYVAABYBQOAOBC-CYBMUJFWSA-N -1 3 317.316 2.799 20 10 DFCDHM CC[C@@H](NCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000183315239 337192833 /nfs/dbraw/zinc/19/28/33/337192833.db2.gz CIMXDHORYFWAQB-CQSZACIVSA-N -1 3 300.406 2.951 20 10 DFCDHM COC(=O)[C@]1(C)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191423040 337296861 /nfs/dbraw/zinc/29/68/61/337296861.db2.gz JKQNHDLOFYQQOL-CQSZACIVSA-N -1 3 301.745 2.570 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000193160967 337309995 /nfs/dbraw/zinc/30/99/95/337309995.db2.gz UXYPSMGXZBOOIB-CYBMUJFWSA-N -1 3 317.316 2.530 20 10 DFCDHM C[C@@]1(Br)C[C@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000529511513 340758548 /nfs/dbraw/zinc/75/85/48/340758548.db2.gz JGOGKBXWVUFQRE-JOYOIKCWSA-N -1 3 318.598 2.835 20 10 DFCDHM CCCC(=O)N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179932404 519875474 /nfs/dbraw/zinc/87/54/74/519875474.db2.gz FWRITDWSKTUUEK-CYBMUJFWSA-N -1 3 310.825 2.926 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@@H](C)c1nc(COC)no1 ZINC000181932591 521690641 /nfs/dbraw/zinc/69/06/41/521690641.db2.gz INJORTIGTWZAHN-LBPRGKRZSA-N -1 3 305.378 2.895 20 10 DFCDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(F)ccc1[O-] ZINC000180212422 523277454 /nfs/dbraw/zinc/27/74/54/523277454.db2.gz MTHZNLWRAVQFRO-OAQYLSRUSA-N -1 3 307.390 2.901 20 10 DFCDHM C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158031788 525304417 /nfs/dbraw/zinc/30/44/17/525304417.db2.gz UJHBZAZGKATLBW-DFBGVHRSSA-N -1 3 322.836 2.782 20 10 DFCDHM CC[C@H]1COCCN1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736952011 600422361 /nfs/dbraw/zinc/42/23/61/600422361.db2.gz YBJJSKDLIUETDH-ZDUSSCGKSA-N -1 3 315.369 2.854 20 10 DFCDHM CN(C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)[O-] ZINC000739663223 602524715 /nfs/dbraw/zinc/52/47/15/602524715.db2.gz CAJYSFOMSIMMQC-CYBMUJFWSA-N -1 3 314.385 2.977 20 10 DFCDHM CN(C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)[O-] ZINC000739663223 602524716 /nfs/dbraw/zinc/52/47/16/602524716.db2.gz CAJYSFOMSIMMQC-CYBMUJFWSA-N -1 3 314.385 2.977 20 10 DFCDHM CCN(C)C(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186804749 284281144 /nfs/dbraw/zinc/28/11/44/284281144.db2.gz OBPGJTVBLBIVIY-MRVPVSSYSA-N -1 3 305.205 2.828 20 10 DFCDHM O=C1C[C@H](c2ccccc2)N(Cc2cccc(F)c2[O-])CCN1 ZINC000272234722 296349819 /nfs/dbraw/zinc/34/98/19/296349819.db2.gz FLPOKFAZUXEHQP-MRXNPFEDSA-N -1 3 314.360 2.595 20 10 DFCDHM CN(Cc1cccc(F)c1[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000272256657 130013467 /nfs/dbraw/zinc/01/34/67/130013467.db2.gz JJXRGKRREOWHAU-INIZCTEOSA-N -1 3 314.360 2.769 20 10 DFCDHM Cc1ncc(CN2CCN(Cc3cccc(F)c3[O-])CC2)s1 ZINC000272315152 130020494 /nfs/dbraw/zinc/02/04/94/130020494.db2.gz SHZIKWJCDUXCNO-UHFFFAOYSA-N -1 3 321.421 2.614 20 10 DFCDHM COC(=O)CCCCCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000272723079 130056836 /nfs/dbraw/zinc/05/68/36/130056836.db2.gz HUGROIQVLDFYCY-UHFFFAOYSA-N -1 3 323.389 2.650 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCC(O)(C(F)(F)F)CC1 ZINC000272856182 130069775 /nfs/dbraw/zinc/06/97/75/130069775.db2.gz UAAYUWQJKYAORM-UHFFFAOYSA-N -1 3 309.715 2.935 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1O ZINC000272955795 130077861 /nfs/dbraw/zinc/07/78/61/130077861.db2.gz IWIUZSPRQMGZCJ-AAEUAGOBSA-N -1 3 307.390 2.730 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2cnn(C)c2)c1[O-] ZINC000273242610 130100013 /nfs/dbraw/zinc/10/00/13/130100013.db2.gz APPHBHOWAVRBFE-VIFPVBQESA-N -1 3 307.781 2.833 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2cnn(C)c2C)c1 ZINC000273390363 130115366 /nfs/dbraw/zinc/11/53/66/130115366.db2.gz KOXNAUVPLJXVLN-GHMZBOCLSA-N -1 3 317.389 2.633 20 10 DFCDHM COc1ncccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273418124 130118487 /nfs/dbraw/zinc/11/84/87/130118487.db2.gz RKMKDFFOYPSBAC-JTQLQIEISA-N -1 3 303.318 2.555 20 10 DFCDHM C[S@](=O)C[C@@H](NCc1cccc(F)c1[O-])c1ccccc1 ZINC000274176987 130214151 /nfs/dbraw/zinc/21/41/51/130214151.db2.gz CJNMZQVYONBPNS-VFNWGFHPSA-N -1 3 307.390 2.741 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nc(C)no2)c1[O-] ZINC000285793574 131202859 /nfs/dbraw/zinc/20/28/59/131202859.db2.gz UWAKMWJYWRVRPD-AWEZNQCLSA-N -1 3 319.336 2.762 20 10 DFCDHM Cc1ccc(CN(CCN(C)C)Cc2cccc(F)c2[O-])o1 ZINC000289445676 131387191 /nfs/dbraw/zinc/38/71/91/131387191.db2.gz MKZFVZAQUGUBIE-UHFFFAOYSA-N -1 3 306.381 2.997 20 10 DFCDHM CO[C@H]1COC[C@@H]1N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000289587320 131399229 /nfs/dbraw/zinc/39/92/29/131399229.db2.gz ATFBHDKAHXNFNT-RESLBDFXSA-N -1 3 306.189 2.763 20 10 DFCDHM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@H]32)c([O-])c1O ZINC000182579649 292061402 /nfs/dbraw/zinc/06/14/02/292061402.db2.gz OOTGYJPTYYQNJI-CHWSQXEVSA-N -1 3 307.415 2.906 20 10 DFCDHM CC[C@@H](NCC(=O)NCC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287787309 286902090 /nfs/dbraw/zinc/90/20/90/286902090.db2.gz SMZDUHSVRDZVIZ-SNVBAGLBSA-N -1 3 324.730 2.765 20 10 DFCDHM CC[C@@H](NCCS(=O)(=O)C(C)C)c1cccc(Cl)c1[O-] ZINC000290504883 286908318 /nfs/dbraw/zinc/90/83/18/286908318.db2.gz YIPLDXPWPLVSRJ-CYBMUJFWSA-N -1 3 319.854 2.910 20 10 DFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCCO1 ZINC000134154724 426185672 /nfs/dbraw/zinc/18/56/72/426185672.db2.gz CATJUTVFEDGDBL-SNVBAGLBSA-N -1 3 300.196 2.766 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@H](C)C(=O)OC ZINC000174424206 426256499 /nfs/dbraw/zinc/25/64/99/426256499.db2.gz DWHSFAPQHRKZJU-SECBINFHSA-N -1 3 316.195 2.538 20 10 DFCDHM C[C@@H]1OCCN(Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000093417625 426356961 /nfs/dbraw/zinc/35/69/61/426356961.db2.gz WWRNOWKQFJODBZ-UWVGGRQHSA-N -1 3 300.196 2.764 20 10 DFCDHM CCN(Cc1cc[nH]n1)Cc1cc(Br)ccc1[O-] ZINC000093866985 426359200 /nfs/dbraw/zinc/35/92/00/426359200.db2.gz NAJXKPLWTKDIPY-UHFFFAOYSA-N -1 3 310.195 2.900 20 10 DFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2ccccc2)O1 ZINC000187019066 426621119 /nfs/dbraw/zinc/62/11/19/426621119.db2.gz PKRBKGRBZAJTRY-BLLLJJGKSA-N -1 3 313.353 2.700 20 10 DFCDHM C[C@@H]1OCC[C@@]12CN(Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529110 426592473 /nfs/dbraw/zinc/59/24/73/426592473.db2.gz RMAMAJFBAKYFOA-BFQNTYOBSA-N -1 3 311.809 2.814 20 10 DFCDHM C[C@H]1OCC[C@]12CN(Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529119 426593092 /nfs/dbraw/zinc/59/30/92/426593092.db2.gz RMAMAJFBAKYFOA-HSMVNMDESA-N -1 3 311.809 2.814 20 10 DFCDHM CCC[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccccc1 ZINC000280544368 426596028 /nfs/dbraw/zinc/59/60/28/426596028.db2.gz KNPSCRQAOQLUGV-HOCLYGCPSA-N -1 3 315.369 2.730 20 10 DFCDHM [O-]c1c(F)cccc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289960380 426677918 /nfs/dbraw/zinc/67/79/18/426677918.db2.gz ZBXAOZXPPJLFRA-WDEREUQCSA-N -1 3 307.287 2.524 20 10 DFCDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCC2 ZINC000187120156 426630202 /nfs/dbraw/zinc/63/02/02/426630202.db2.gz AMROWCRIKOWZKE-CABCVRRESA-N -1 3 319.401 2.908 20 10 DFCDHM COc1c([O-])c(CN2CC(C)(C)[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506146 426900421 /nfs/dbraw/zinc/90/04/21/426900421.db2.gz HUEDDROTKADDAH-OAHLLOKOSA-N -1 3 306.362 2.929 20 10 DFCDHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C12CCC2 ZINC000182817899 427150287 /nfs/dbraw/zinc/15/02/87/427150287.db2.gz CAOGALWHRYSXNM-KBPBESRZSA-N -1 3 319.401 2.826 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)C[C@H](C)C2)c1[O-] ZINC000277432248 427201074 /nfs/dbraw/zinc/20/10/74/427201074.db2.gz JORJXGJRPHSUMG-DGIBIBHMSA-N -1 3 301.839 2.554 20 10 DFCDHM Cc1nc2n(n1)CCN(Cc1cc(-c3ccccc3)ccc1[O-])C2 ZINC000271185700 427438016 /nfs/dbraw/zinc/43/80/16/427438016.db2.gz NCOHKKRBTBSLPS-UHFFFAOYSA-N -1 3 320.396 2.975 20 10 DFCDHM C[C@@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185079209 427591465 /nfs/dbraw/zinc/59/14/65/427591465.db2.gz UYLQXTRZJFYRPD-CYBMUJFWSA-N -1 3 316.376 2.841 20 10 DFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1OCCc2sccc21 ZINC000294651706 427649444 /nfs/dbraw/zinc/64/94/44/427649444.db2.gz NAFJFADYPSUFQY-PSLIRLAXSA-N -1 3 319.382 2.592 20 10 DFCDHM Cc1c(NCc2cccc(F)c2[O-])cnn1C1CCOCC1 ZINC000295061706 427676535 /nfs/dbraw/zinc/67/65/35/427676535.db2.gz GPUNWOQDLWKLJF-UHFFFAOYSA-N -1 3 305.353 3.000 20 10 DFCDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000369545195 427995801 /nfs/dbraw/zinc/99/58/01/427995801.db2.gz DOEBFDFEHZWQOP-HOCLYGCPSA-N -1 3 311.809 2.816 20 10 DFCDHM Cc1ccc(C(=O)N2CCC([C@H]3CCCOC3)CC2)c([O-])c1O ZINC000370151170 428144898 /nfs/dbraw/zinc/14/48/98/428144898.db2.gz UZBSWLWWRCPERL-AWEZNQCLSA-N -1 3 319.401 2.685 20 10 DFCDHM CC[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000373493048 428590136 /nfs/dbraw/zinc/59/01/36/428590136.db2.gz GYZFOJKWPWWJFE-BBRMVZONSA-N -1 3 311.809 2.816 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@@H](COC(C)C)C2)c([O-])c1 ZINC000373489107 428591114 /nfs/dbraw/zinc/59/11/14/428591114.db2.gz IUKJJQOETAOPIO-QGZVFWFLSA-N -1 3 323.433 2.807 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]2OCC[C@H]21 ZINC000366264536 429444375 /nfs/dbraw/zinc/44/43/75/429444375.db2.gz DVMSUDCHURZBQR-TZMCWYRMSA-N -1 3 312.207 2.908 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000368725868 429890324 /nfs/dbraw/zinc/89/03/24/429890324.db2.gz YKPKZPANYHJUPP-UHFFFAOYSA-N -1 3 319.307 2.691 20 10 DFCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])CC2(CCCC2)O1 ZINC000368939131 429903056 /nfs/dbraw/zinc/90/30/56/429903056.db2.gz ASZQMFBKOZVIQB-UHFFFAOYSA-N -1 3 305.374 2.662 20 10 DFCDHM CCCOc1cncc(NC(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000529843562 430075720 /nfs/dbraw/zinc/07/57/20/430075720.db2.gz RRDULLDSKVRQAM-UHFFFAOYSA-N -1 3 302.330 2.842 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@]2(C)CCCO)c1[O-] ZINC000271884576 278244321 /nfs/dbraw/zinc/24/43/21/278244321.db2.gz AIIYJGXCEUJOPC-KRWDZBQOSA-N -1 3 309.381 2.861 20 10 DFCDHM CCN(C)C(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186804728 279019843 /nfs/dbraw/zinc/01/98/43/279019843.db2.gz OBPGJTVBLBIVIY-QMMMGPOBSA-N -1 3 305.205 2.828 20 10 DFCDHM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000187472873 288388080 /nfs/dbraw/zinc/38/80/80/288388080.db2.gz PSTKGKAWYPESAB-MLGOLLRUSA-N -1 3 313.353 2.700 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1c2ccccc2C[C@@H]1O ZINC000293738200 335112840 /nfs/dbraw/zinc/11/28/40/335112840.db2.gz WYTNHTDBDFRZLF-HOTGVXAUSA-N -1 3 307.752 2.933 20 10 DFCDHM COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000184773458 333367559 /nfs/dbraw/zinc/36/75/59/333367559.db2.gz OBIZLLXYQPPCJC-LBPRGKRZSA-N -1 3 315.369 2.810 20 10 DFCDHM [O-]c1ccccc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000271368696 334021683 /nfs/dbraw/zinc/02/16/83/334021683.db2.gz OWJKWPMGQMGULG-CZUORRHYSA-N -1 3 305.324 2.978 20 10 DFCDHM Cc1nc(C[C@H]2CCCN(Cc3cccc(F)c3[O-])C2)no1 ZINC000272272503 334032699 /nfs/dbraw/zinc/03/26/99/334032699.db2.gz LSLPYWXFEPFJAI-GFCCVEGCSA-N -1 3 305.353 2.677 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000273459311 334047055 /nfs/dbraw/zinc/04/70/55/334047055.db2.gz HUTPZSIGKQQJCY-QMTHXVAHSA-N -1 3 315.373 2.630 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@H](C)[S@@](=O)CC2)c1[O-] ZINC000277667310 334089771 /nfs/dbraw/zinc/08/97/71/334089771.db2.gz PLMJENDVJXATOE-WLRWDXFRSA-N -1 3 301.839 2.697 20 10 DFCDHM COc1c([O-])c(CN2CCC(F)(F)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000291472915 334179042 /nfs/dbraw/zinc/17/90/42/334179042.db2.gz FBNVTZINWAYWSI-SECBINFHSA-N -1 3 316.304 2.786 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](Nc2ncccn2)C1 ZINC000301212782 336295209 /nfs/dbraw/zinc/29/52/09/336295209.db2.gz WRVLAQHCFARVPJ-AWEZNQCLSA-N -1 3 318.808 2.912 20 10 DFCDHM Cc1ccc(C(=O)N2CC=C(c3cccnc3)CC2)c([O-])c1O ZINC000368005745 336834247 /nfs/dbraw/zinc/83/42/47/336834247.db2.gz KSLXNWUZUSMVFJ-UHFFFAOYSA-N -1 3 310.353 2.731 20 10 DFCDHM O=C(NC1CC1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000371413788 336903105 /nfs/dbraw/zinc/90/31/05/336903105.db2.gz ZCUXKDGTBMJXGZ-UHFFFAOYSA-N -1 3 308.809 2.536 20 10 DFCDHM C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000373830293 336974223 /nfs/dbraw/zinc/97/42/23/336974223.db2.gz XQSDAYDNLGFXQB-BZNIZROVSA-N -1 3 313.353 2.562 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN[C@]1(CO)CCOc2ccccc21 ZINC000374135035 336981966 /nfs/dbraw/zinc/98/19/66/336981966.db2.gz DWEVLBCWXQFPPR-KRWDZBQOSA-N -1 3 319.788 2.806 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2ncc[nH]2)c1[O-] ZINC000374863869 336998536 /nfs/dbraw/zinc/99/85/36/336998536.db2.gz KWDFRMIDTYOZJZ-AWEZNQCLSA-N -1 3 303.337 2.794 20 10 DFCDHM Cc1cnn(C2CN(Cc3cc(Br)ccc3[O-])C2)c1 ZINC000375861492 337021690 /nfs/dbraw/zinc/02/16/90/337021690.db2.gz QIQCDYLQNLYQLX-UHFFFAOYSA-N -1 3 322.206 2.717 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H](C[C@H]3CCOC3)C2)c([O-])c1O ZINC000376840168 337042503 /nfs/dbraw/zinc/04/25/03/337042503.db2.gz CBBAXTMTCXBMSI-ZIAGYGMSSA-N -1 3 319.401 2.685 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2C[C@H](CO)c3ccccc32)c1 ZINC000376956567 337044115 /nfs/dbraw/zinc/04/41/15/337044115.db2.gz GYJJCKYEHBWSCW-WBMJQRKESA-N -1 3 314.341 2.611 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000376956565 337044196 /nfs/dbraw/zinc/04/41/96/337044196.db2.gz GYJJCKYEHBWSCW-LRDDRELGSA-N -1 3 314.341 2.611 20 10 DFCDHM CCCOc1ccc(CN2CCOC[C@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000377708702 337059364 /nfs/dbraw/zinc/05/93/64/337059364.db2.gz XOGXJMBEKAXBEZ-WMZOPIPTSA-N -1 3 321.417 2.561 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)C2)c([O-])c1O ZINC000378562336 337075767 /nfs/dbraw/zinc/07/57/67/337075767.db2.gz WKBVZMKKQZRWGT-AWEZNQCLSA-N -1 3 313.353 2.700 20 10 DFCDHM Cc1cn2c(n1)CN(Cc1cc(Br)ccc1[O-])CC2 ZINC000378631102 337077110 /nfs/dbraw/zinc/07/71/10/337077110.db2.gz GXYXIZBPZDLUBI-UHFFFAOYSA-N -1 3 322.206 2.675 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000180243670 337175580 /nfs/dbraw/zinc/17/55/80/337175580.db2.gz PYDUJXSDCXABFA-UHFFFAOYSA-N -1 3 324.359 2.806 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c([O-])c1O ZINC000182543901 337188835 /nfs/dbraw/zinc/18/88/35/337188835.db2.gz WFLURJYNHNGGFO-ZIAGYGMSSA-N -1 3 315.373 2.516 20 10 DFCDHM Cc1ccc([C@@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)o1 ZINC000182903701 337190661 /nfs/dbraw/zinc/19/06/61/337190661.db2.gz OVPKPCQUJVPAJZ-AWEZNQCLSA-N -1 3 317.341 2.521 20 10 DFCDHM Cc1ccc([C@@H](C)NCc2nnc3n2CCCCC3)c([O-])c1 ZINC000184878125 337200616 /nfs/dbraw/zinc/20/06/16/337200616.db2.gz LJQAXNMIVPBGEX-CYBMUJFWSA-N -1 3 300.406 2.869 20 10 DFCDHM CO[C@@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2[O-])C1 ZINC000190146150 337285254 /nfs/dbraw/zinc/28/52/54/337285254.db2.gz ONWNNEPQVKQBPW-OLZOCXBDSA-N -1 3 323.780 2.699 20 10 DFCDHM Cn1cnnc1C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191246430 337295126 /nfs/dbraw/zinc/29/51/26/337295126.db2.gz XZLCMSGHUIRQRQ-UHFFFAOYSA-N -1 3 324.787 2.693 20 10 DFCDHM Cn1cc([C@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000191381690 337296485 /nfs/dbraw/zinc/29/64/85/337296485.db2.gz GMVICZKQOZKQQF-JTQLQIEISA-N -1 3 309.772 2.908 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](NCc2ncc[nH]2)C1 ZINC000113359324 337391033 /nfs/dbraw/zinc/39/10/33/337391033.db2.gz OFSBMYMWRLTIFK-CQSZACIVSA-N -1 3 320.824 2.523 20 10 DFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2n[n-]nc2c1 ZINC000184734870 521320052 /nfs/dbraw/zinc/32/00/52/521320052.db2.gz XPNHCZFWHYEMFV-UHFFFAOYSA-N -1 3 323.400 2.686 20 10 DFCDHM CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180256020 521651075 /nfs/dbraw/zinc/65/10/75/521651075.db2.gz VUAOQWLJEITRDJ-NSHDSACASA-N -1 3 319.854 2.609 20 10 DFCDHM Cc1ccc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)c([O-])c1O ZINC000182600611 526209287 /nfs/dbraw/zinc/20/92/87/526209287.db2.gz BMBXEQNFLDQXDC-DOMZBBRYSA-N -1 3 315.369 2.648 20 10 DFCDHM Cc1csc([C@H](NC(=O)c2cccc(O)c2[O-])C2CC2)n1 ZINC000187132877 526439255 /nfs/dbraw/zinc/43/92/55/526439255.db2.gz NNOYLFOUPLCNHH-GFCCVEGCSA-N -1 3 304.371 2.744 20 10 DFCDHM CN(C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)[O-] ZINC000739663225 602524685 /nfs/dbraw/zinc/52/46/85/602524685.db2.gz CAJYSFOMSIMMQC-ZDUSSCGKSA-N -1 3 314.385 2.977 20 10 DFCDHM CN(C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1)C(=O)[O-] ZINC000739663225 602524686 /nfs/dbraw/zinc/52/46/86/602524686.db2.gz CAJYSFOMSIMMQC-ZDUSSCGKSA-N -1 3 314.385 2.977 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H]3CC(=O)[O-])c2c1 ZINC000832504748 604980315 /nfs/dbraw/zinc/98/03/15/604980315.db2.gz WCXLIZBNTNXWJZ-CYBMUJFWSA-N -1 3 315.369 2.993 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H]3CC(=O)[O-])c2c1 ZINC000832504748 604980318 /nfs/dbraw/zinc/98/03/18/604980318.db2.gz WCXLIZBNTNXWJZ-CYBMUJFWSA-N -1 3 315.369 2.993 20 10 DFCDHM O=C([O-])N1CCC[C@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000834105757 605563092 /nfs/dbraw/zinc/56/30/92/605563092.db2.gz INWPHVDPNYFPPW-HNNXBMFYSA-N -1 3 322.380 2.886 20 10 DFCDHM CN(Cc1cc2c(cc1O)CCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000825953248 607846153 /nfs/dbraw/zinc/84/61/53/607846153.db2.gz BQKYGUQICOCJDY-UHFFFAOYSA-N -1 3 321.384 2.697 20 10 DFCDHM CCOc1ccc(O)c(CNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825643996 608868363 /nfs/dbraw/zinc/86/83/63/608868363.db2.gz ZMEUGEFEVIHQJP-UHFFFAOYSA-N -1 3 311.345 2.583 20 10 DFCDHM CCOc1ccc(O)c(CNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825643996 608868366 /nfs/dbraw/zinc/86/83/66/608868366.db2.gz ZMEUGEFEVIHQJP-UHFFFAOYSA-N -1 3 311.345 2.583 20 10 DFCDHM CCOc1ccc(CNc2cccc(-c3nnn[n-]3)c2)c(O)c1 ZINC000825639157 609472635 /nfs/dbraw/zinc/47/26/35/609472635.db2.gz RNKQGDUEPOHORQ-UHFFFAOYSA-N -1 3 311.345 2.583 20 10 DFCDHM CCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2)c(O)c1 ZINC000825639157 609472636 /nfs/dbraw/zinc/47/26/36/609472636.db2.gz RNKQGDUEPOHORQ-UHFFFAOYSA-N -1 3 311.345 2.583 20 10 DFCDHM COc1ccc(O)c(CNc2cccc(-c3nnn[n-]3)c2C)c1 ZINC000826210350 609485727 /nfs/dbraw/zinc/48/57/27/609485727.db2.gz NQMCTPIMJKCADW-UHFFFAOYSA-N -1 3 311.345 2.501 20 10 DFCDHM COc1ccc(O)c(CNc2cccc(-c3nn[n-]n3)c2C)c1 ZINC000826210350 609485728 /nfs/dbraw/zinc/48/57/28/609485728.db2.gz NQMCTPIMJKCADW-UHFFFAOYSA-N -1 3 311.345 2.501 20 10 DFCDHM CO[C@@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000091772177 193104962 /nfs/dbraw/zinc/10/49/62/193104962.db2.gz JABOFDPUTOCIGY-GFCCVEGCSA-N -1 3 300.196 2.766 20 10 DFCDHM CCCOc1ccc(CN(CCO)Cc2cccnc2)c([O-])c1 ZINC000093086227 193201833 /nfs/dbraw/zinc/20/18/33/193201833.db2.gz GUOLAHNRSZJDIV-UHFFFAOYSA-N -1 3 316.401 2.571 20 10 DFCDHM CNC(=O)[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093360897 193238724 /nfs/dbraw/zinc/23/87/24/193238724.db2.gz BAUAZDGGKCDNDI-VIFPVBQESA-N -1 3 317.216 2.657 20 10 DFCDHM COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(F)ccc1[O-] ZINC000183244240 284196920 /nfs/dbraw/zinc/19/69/20/284196920.db2.gz LVHWBJWGJGIXRG-INIZCTEOSA-N -1 3 315.344 2.631 20 10 DFCDHM C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273589329 299429958 /nfs/dbraw/zinc/42/99/58/299429958.db2.gz OTADFUXCNDAENL-HKJPBSJPSA-N -1 3 314.341 2.609 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2cnn(C)c2C)c1 ZINC000273390365 130115809 /nfs/dbraw/zinc/11/58/09/130115809.db2.gz KOXNAUVPLJXVLN-MNOVXSKESA-N -1 3 317.389 2.633 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2c(C)nn(C)c2C)c1 ZINC000273418563 130119364 /nfs/dbraw/zinc/11/93/64/130119364.db2.gz IZKCWGBWIUTNLZ-VIFPVBQESA-N -1 3 303.362 2.702 20 10 DFCDHM CC[C@@H](NCc1cnn(CCOC)c1)c1ccc(F)cc1[O-] ZINC000287468041 131281310 /nfs/dbraw/zinc/28/13/10/131281310.db2.gz MFCFRWFAJCLFMP-OAHLLOKOSA-N -1 3 307.369 2.615 20 10 DFCDHM CN(C)C(=O)OC[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000289547662 131395702 /nfs/dbraw/zinc/39/57/02/131395702.db2.gz IININJHICSAMFU-CYBMUJFWSA-N -1 3 310.369 2.584 20 10 DFCDHM CN(C)c1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1 ZINC000008698937 425673216 /nfs/dbraw/zinc/67/32/16/425673216.db2.gz XHUHSVIUFPQNJY-SFHVURJKSA-N -1 3 310.397 2.764 20 10 DFCDHM C[C@H](C(=O)NC1CCC(C)CC1)N(C)Cc1ccccc1[O-] ZINC000109769647 426032678 /nfs/dbraw/zinc/03/26/78/426032678.db2.gz CGOHPOCRGMNSEJ-NPCAHTBFSA-N -1 3 304.434 2.907 20 10 DFCDHM CN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1[O-] ZINC000111236274 426038529 /nfs/dbraw/zinc/03/85/29/426038529.db2.gz JAEACRWPDNPDBQ-UHFFFAOYSA-N -1 3 317.389 2.748 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000132769226 426171450 /nfs/dbraw/zinc/17/14/50/426171450.db2.gz LKTRRJPJIPJKPK-JSGCOSHPSA-N -1 3 312.207 2.908 20 10 DFCDHM COC(=O)CN(Cc1ncc(C)o1)Cc1cc(Cl)ccc1[O-] ZINC000173363055 426239595 /nfs/dbraw/zinc/23/95/95/426239595.db2.gz IYPASWVPEUPDAV-UHFFFAOYSA-N -1 3 324.764 2.517 20 10 DFCDHM NC(=O)C[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093808879 426357981 /nfs/dbraw/zinc/35/79/81/426357981.db2.gz HYJFZUVDFGAFRP-VIFPVBQESA-N -1 3 317.216 2.786 20 10 DFCDHM CC1(C)CN(Cc2c([O-])cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280186908 426517443 /nfs/dbraw/zinc/51/74/43/426517443.db2.gz HCMKSQUANVZCSD-INIZCTEOSA-N -1 3 311.809 2.816 20 10 DFCDHM C[C@H]1OCC[C@@]12CN(Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529138 426592399 /nfs/dbraw/zinc/59/23/99/426592399.db2.gz RMAMAJFBAKYFOA-XHBSWPGZSA-N -1 3 311.809 2.814 20 10 DFCDHM CCC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1 ZINC000280544359 426596804 /nfs/dbraw/zinc/59/68/04/426596804.db2.gz KNPSCRQAOQLUGV-GDBMZVCRSA-N -1 3 315.369 2.730 20 10 DFCDHM Cc1cnn(C)c1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000289185088 426600352 /nfs/dbraw/zinc/60/03/52/426600352.db2.gz TYIOMSHOSNMOHX-INIZCTEOSA-N -1 3 315.417 2.615 20 10 DFCDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCC2 ZINC000187120138 426630188 /nfs/dbraw/zinc/63/01/88/426630188.db2.gz AMROWCRIKOWZKE-HUUCEWRRSA-N -1 3 319.401 2.908 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@H]([C@H]3CCCO3)C2)c([O-])c1 ZINC000247287866 426923364 /nfs/dbraw/zinc/92/33/64/426923364.db2.gz YYUTVSIOUWCEPO-MSOLQXFVSA-N -1 3 321.417 2.561 20 10 DFCDHM CCCCN(Cc1ccccc1O)C(=O)c1cc(C)nc(=O)[n-]1 ZINC000282411897 426906098 /nfs/dbraw/zinc/90/60/98/426906098.db2.gz FZCAHFYAGPJMIG-UHFFFAOYSA-N -1 3 315.373 2.639 20 10 DFCDHM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1O ZINC000276085637 426983355 /nfs/dbraw/zinc/98/33/55/426983355.db2.gz XOUNMZNWZVTVMA-LBPRGKRZSA-N -1 3 314.769 2.547 20 10 DFCDHM CCn1cc([C@@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040952 427054300 /nfs/dbraw/zinc/05/43/00/427054300.db2.gz UJHNDVIECNWVFE-NEPJUHHUSA-N -1 3 317.389 2.807 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCCc3c[nH]nc32)c1[O-] ZINC000268883951 427138991 /nfs/dbraw/zinc/13/89/91/427138991.db2.gz YQALCLWLIBTGMA-LLVKDONJSA-N -1 3 322.752 2.844 20 10 DFCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000292832993 427202376 /nfs/dbraw/zinc/20/23/76/427202376.db2.gz WVYJGOKOJNOEDA-LBPRGKRZSA-N -1 3 307.390 2.826 20 10 DFCDHM CCCCN(Cc1ccccc1[O-])Cc1nccnc1OC ZINC000296890381 427265188 /nfs/dbraw/zinc/26/51/88/427265188.db2.gz QHVNJTMIIQVRFG-UHFFFAOYSA-N -1 3 301.390 2.993 20 10 DFCDHM CCn1nccc1CNCc1cccc(Br)c1[O-] ZINC000278126601 427413073 /nfs/dbraw/zinc/41/30/73/427413073.db2.gz BRVWVAQQPQRVSY-UHFFFAOYSA-N -1 3 310.195 2.661 20 10 DFCDHM CCc1cccnc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278533412 427442373 /nfs/dbraw/zinc/44/23/73/427442373.db2.gz VNALDCOGAAAEAM-UHFFFAOYSA-N -1 3 303.318 2.879 20 10 DFCDHM COc1c([O-])c(CN[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278945982 427510840 /nfs/dbraw/zinc/51/08/40/427510840.db2.gz YODPTPQCXJOLCF-SNVBAGLBSA-N -1 3 303.318 2.555 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(c3ccncc3)CC2)c([O-])c1O ZINC000192267452 427512594 /nfs/dbraw/zinc/51/25/94/427512594.db2.gz MSRPVYBOZXSHIM-UHFFFAOYSA-N -1 3 312.369 2.821 20 10 DFCDHM CC[C@@H](N[C@@H](C)C(=O)NCCF)c1cccc(Cl)c1[O-] ZINC000287096285 427555694 /nfs/dbraw/zinc/55/56/94/427555694.db2.gz PTKTZEAXJWVAST-JOYOIKCWSA-N -1 3 302.777 2.561 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271743524 427586397 /nfs/dbraw/zinc/58/63/97/427586397.db2.gz RVAOXNHXNOCTCY-CMPLNLGQSA-N -1 3 309.715 2.933 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000294459541 427646708 /nfs/dbraw/zinc/64/67/08/427646708.db2.gz YUCVKHSYVHPSJF-TZMCWYRMSA-N -1 3 317.813 2.891 20 10 DFCDHM CC(C)COC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000192999738 427649837 /nfs/dbraw/zinc/64/98/37/427649837.db2.gz CUOUEUBNCDERMN-CYBMUJFWSA-N -1 3 319.357 2.835 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000193079785 427661989 /nfs/dbraw/zinc/66/19/89/427661989.db2.gz LKVVPQWCLMBRIG-CYBMUJFWSA-N -1 3 315.344 2.942 20 10 DFCDHM CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(F)ccc1[O-] ZINC000185683460 427691291 /nfs/dbraw/zinc/69/12/91/427691291.db2.gz NMXNKSNTFBDKNC-GXFFZTMASA-N -1 3 304.369 2.871 20 10 DFCDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000369545193 427995660 /nfs/dbraw/zinc/99/56/60/427995660.db2.gz DOEBFDFEHZWQOP-GDBMZVCRSA-N -1 3 311.809 2.816 20 10 DFCDHM Cc1nc(C)n(C[C@H]2CCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000371415693 428389174 /nfs/dbraw/zinc/38/91/74/428389174.db2.gz CZXVORWVVQDOIO-OAHLLOKOSA-N -1 3 320.824 2.919 20 10 DFCDHM CC[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000373493051 428590284 /nfs/dbraw/zinc/59/02/84/428590284.db2.gz GYZFOJKWPWWJFE-XJKSGUPXSA-N -1 3 311.809 2.816 20 10 DFCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000373979275 428658203 /nfs/dbraw/zinc/65/82/03/428658203.db2.gz WDZFPLGGDDAATK-PBFPGSCMSA-N -1 3 309.381 2.690 20 10 DFCDHM C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(F)cc1[O-] ZINC000363848334 428998133 /nfs/dbraw/zinc/99/81/33/428998133.db2.gz FJAQNMIAXWYCKR-GFCCVEGCSA-N -1 3 312.348 2.963 20 10 DFCDHM O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1cccc(O)c1[O-] ZINC000363945615 429145304 /nfs/dbraw/zinc/14/53/04/429145304.db2.gz KQRWILIVKSFGCP-UHFFFAOYSA-N -1 3 323.308 2.513 20 10 DFCDHM Cn1cc(C[C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000364473235 429210495 /nfs/dbraw/zinc/21/04/95/429210495.db2.gz RBALXJYWVTTYRT-NSHDSACASA-N -1 3 323.799 2.983 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC(c3cn[nH]c3)CC2)c1[O-] ZINC000365906586 429398852 /nfs/dbraw/zinc/39/88/52/429398852.db2.gz NHCDNXRVANGHLL-UHFFFAOYSA-N -1 3 317.364 2.837 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)/C=C\c1cncc([O-])c1 ZINC000491965077 429443651 /nfs/dbraw/zinc/44/36/51/429443651.db2.gz QTZQYLVOXCRPGM-FPLPWBNLSA-N -1 3 321.380 2.917 20 10 DFCDHM C[C@@H]1Oc2ccccc2[C@@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000367392956 429641145 /nfs/dbraw/zinc/64/11/45/429641145.db2.gz WWNXUIOXYSEXPC-MGPLVRAMSA-N -1 3 300.314 2.912 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@H]1c1nc(C)no1 ZINC000368029117 429770244 /nfs/dbraw/zinc/77/02/44/429770244.db2.gz HTXJOSMQFYQCOI-KGLIPLIRSA-N -1 3 303.362 2.608 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC12CCOCC2 ZINC000368475708 429854937 /nfs/dbraw/zinc/85/49/37/429854937.db2.gz VSPSLOHSULOCLZ-UHFFFAOYSA-N -1 3 312.207 2.910 20 10 DFCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2c2ncon2)c1[O-] ZINC000368708721 429889384 /nfs/dbraw/zinc/88/93/84/429889384.db2.gz WZOZODWFJJUGHY-LLVKDONJSA-N -1 3 309.753 2.774 20 10 DFCDHM Cc1nc2c(s1)[C@H](NC(=O)c1cccc(O)c1[O-])CCC2 ZINC000369101654 429912798 /nfs/dbraw/zinc/91/27/98/429912798.db2.gz RICSGQLPFRJJDZ-LLVKDONJSA-N -1 3 304.371 2.670 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC(c3c[nH]cn3)CC2)c1[O-] ZINC000369349886 429929054 /nfs/dbraw/zinc/92/90/54/429929054.db2.gz PAFKFRPAVXWYJL-UHFFFAOYSA-N -1 3 317.364 2.837 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1COc2ccccc2[C@@H]1O ZINC000293780946 335117253 /nfs/dbraw/zinc/11/72/53/335117253.db2.gz BUVHZCBQVBBATJ-CJNGLKHVSA-N -1 3 323.751 2.769 20 10 DFCDHM COC(=O)[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295455804 335134914 /nfs/dbraw/zinc/13/49/14/335134914.db2.gz VOJRONGMMLINES-VIFPVBQESA-N -1 3 301.745 2.570 20 10 DFCDHM COc1ccccc1[C@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279093517 334105202 /nfs/dbraw/zinc/10/52/02/334105202.db2.gz GNDUIZROPIMOFK-LBPRGKRZSA-N -1 3 313.353 2.736 20 10 DFCDHM Cc1nc([C@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)no1 ZINC000375017081 337001639 /nfs/dbraw/zinc/00/16/39/337001639.db2.gz GNWWXJCRWSBSAY-CYBMUJFWSA-N -1 3 323.780 2.619 20 10 DFCDHM O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000375470988 337011730 /nfs/dbraw/zinc/01/17/30/337011730.db2.gz RNTRCJSFTLHFSN-KBPBESRZSA-N -1 3 309.793 2.616 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CCN(C)[C@H]3C2)c1[O-] ZINC000376495427 337035058 /nfs/dbraw/zinc/03/50/58/337035058.db2.gz OBMLEVQSVGNFTO-WBMJQRKESA-N -1 3 322.836 2.774 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@@](=O)CC[C@@H]2C)c1[O-] ZINC000376660630 337039290 /nfs/dbraw/zinc/03/92/90/337039290.db2.gz ZEDAQQFPUPJHAK-WLRWDXFRSA-N -1 3 301.839 2.697 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H](C[C@@H]3CCOC3)C2)c([O-])c1O ZINC000376840165 337042480 /nfs/dbraw/zinc/04/24/80/337042480.db2.gz CBBAXTMTCXBMSI-KBPBESRZSA-N -1 3 319.401 2.685 20 10 DFCDHM CC(C)(C)C(=O)N1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000378497305 337074472 /nfs/dbraw/zinc/07/44/72/337074472.db2.gz NGPGYEVHKFWVBP-UHFFFAOYSA-N -1 3 308.397 2.612 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@@H](Oc3ccccc3)C2)c([O-])c1O ZINC000378562337 337075752 /nfs/dbraw/zinc/07/57/52/337075752.db2.gz WKBVZMKKQZRWGT-CQSZACIVSA-N -1 3 313.353 2.700 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC(Cn2ccnn2)CC1 ZINC000180781553 337177813 /nfs/dbraw/zinc/17/78/13/337177813.db2.gz AGZYPZDUQQQYTH-UHFFFAOYSA-N -1 3 306.797 2.549 20 10 DFCDHM Cc1ccc([C@H]2CN(C(=O)c3ccc(C)c(O)c3[O-])CCO2)o1 ZINC000182903724 337190643 /nfs/dbraw/zinc/19/06/43/337190643.db2.gz OVPKPCQUJVPAJZ-CQSZACIVSA-N -1 3 317.341 2.521 20 10 DFCDHM Cc1cc(F)ccc1[C@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000185624420 337249684 /nfs/dbraw/zinc/24/96/84/337249684.db2.gz QWOVXPVEMZTRIY-KRWDZBQOSA-N -1 3 314.360 2.513 20 10 DFCDHM Cc1ccn(-c2ccccc2NC(=O)c2cccc(O)c2[O-])n1 ZINC000185841590 337250727 /nfs/dbraw/zinc/25/07/27/337250727.db2.gz PJJGZXSJFFWCDE-UHFFFAOYSA-N -1 3 309.325 2.844 20 10 DFCDHM Cc1csc([C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000187144574 337262911 /nfs/dbraw/zinc/26/29/11/337262911.db2.gz ZQYGFOPAHXRPIM-NSHDSACASA-N -1 3 318.398 2.883 20 10 DFCDHM Cc1noc([C@H]2COCCN2Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000188484416 337273717 /nfs/dbraw/zinc/27/37/17/337273717.db2.gz PTHKRESQSMOEBJ-CYBMUJFWSA-N -1 3 323.780 2.619 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000365110176 518278178 /nfs/dbraw/zinc/27/81/78/518278178.db2.gz PFYNYARZCRVIKT-MRXNPFEDSA-N -1 3 309.793 2.595 20 10 DFCDHM CC(C)OCCN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180375650 519766416 /nfs/dbraw/zinc/76/64/16/519766416.db2.gz LEGYQRWPLBEJGS-UHFFFAOYSA-N -1 3 312.841 2.588 20 10 DFCDHM COC(=O)C1(N(C)Cc2cc(F)cc(C(C)=O)c2[O-])CCCC1 ZINC000159290143 522838273 /nfs/dbraw/zinc/83/82/73/522838273.db2.gz APCNSVILBCJMHW-UHFFFAOYSA-N -1 3 323.364 2.652 20 10 DFCDHM CC[C@](C)(NC(=O)c1cccc(O)c1[O-])c1nc(C)cs1 ZINC000185730709 523485670 /nfs/dbraw/zinc/48/56/70/523485670.db2.gz MAVBRYMSVADLRK-HNNXBMFYSA-N -1 3 306.387 2.918 20 10 DFCDHM Cc1cc(C=C2CCN(C(=O)c3cccc(O)c3[O-])CC2)no1 ZINC000365952072 524610118 /nfs/dbraw/zinc/61/01/18/524610118.db2.gz DXAIRVBDAUEPEI-UHFFFAOYSA-N -1 3 314.341 2.714 20 10 DFCDHM C[C@H](N1CCN(Cc2cc(F)ccc2[O-])CC1)C(F)(F)F ZINC000180251879 524870549 /nfs/dbraw/zinc/87/05/49/524870549.db2.gz IUIBMJMRUSUCIN-JTQLQIEISA-N -1 3 306.303 2.600 20 10 DFCDHM C[C@@H](N1CCN(Cc2cc(F)ccc2[O-])CC1)C(F)(F)F ZINC000180251899 525035334 /nfs/dbraw/zinc/03/53/34/525035334.db2.gz IUIBMJMRUSUCIN-SNVBAGLBSA-N -1 3 306.303 2.600 20 10 DFCDHM Cc1ccc(C(=O)N2CC(F)(c3ccccc3)C2)c([O-])c1O ZINC000367748153 526080535 /nfs/dbraw/zinc/08/05/35/526080535.db2.gz IEDMVICETGGNKL-UHFFFAOYSA-N -1 3 301.317 2.727 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000365939280 526772438 /nfs/dbraw/zinc/77/24/38/526772438.db2.gz ZUJLNYMEPTXMHI-CYBMUJFWSA-N -1 3 317.316 2.530 20 10 DFCDHM O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000193164620 527060199 /nfs/dbraw/zinc/06/01/99/527060199.db2.gz RHSJFYSQFPTWGS-BBRMVZONSA-N -1 3 313.353 2.748 20 10 DFCDHM COCCOc1ncccc1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000273430493 536742643 /nfs/dbraw/zinc/74/26/43/536742643.db2.gz VMVMMVFOBZZOQK-LBPRGKRZSA-N -1 3 320.364 2.802 20 10 DFCDHM C[N@H+](CC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21 ZINC000739631476 597053484 /nfs/dbraw/zinc/05/34/84/597053484.db2.gz IGAGMHAAQOTODY-UHFFFAOYSA-N -1 3 324.174 2.824 20 10 DFCDHM C[N@@H+](CC(=O)[O-])Cc1c([O-])ccc2cc(Br)ccc21 ZINC000739631476 597053490 /nfs/dbraw/zinc/05/34/90/597053490.db2.gz IGAGMHAAQOTODY-UHFFFAOYSA-N -1 3 324.174 2.824 20 10 DFCDHM CN(C(=O)[O-])[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000827889394 603918512 /nfs/dbraw/zinc/91/85/12/603918512.db2.gz GKQJWOFCRCKKKL-CYBMUJFWSA-N -1 3 300.358 2.730 20 10 DFCDHM CN(C(=O)[O-])[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000827889394 603918516 /nfs/dbraw/zinc/91/85/16/603918516.db2.gz GKQJWOFCRCKKKL-CYBMUJFWSA-N -1 3 300.358 2.730 20 10 DFCDHM O=C([O-])N[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000834191136 605570477 /nfs/dbraw/zinc/57/04/77/605570477.db2.gz ZIRLGJLPZZEEER-OAHLLOKOSA-N -1 3 303.406 2.519 20 10 DFCDHM Oc1ccccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000826511101 608376619 /nfs/dbraw/zinc/37/66/19/608376619.db2.gz BWHIIQQEWDBLKR-UHFFFAOYSA-N -1 3 318.340 2.733 20 10 DFCDHM Oc1ccccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000826511101 608376622 /nfs/dbraw/zinc/37/66/22/608376622.db2.gz BWHIIQQEWDBLKR-UHFFFAOYSA-N -1 3 318.340 2.733 20 10 DFCDHM C[C@H](N[C@@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282491427 299383518 /nfs/dbraw/zinc/38/35/18/299383518.db2.gz RAWXMNOCVHDMJK-IINYFYTJSA-N -1 3 316.361 2.762 20 10 DFCDHM COC(=O)CN(Cc1ccn(C)c1)Cc1cc(Cl)ccc1[O-] ZINC000093277092 193223580 /nfs/dbraw/zinc/22/35/80/193223580.db2.gz FKMAXHGVEKDCFX-UHFFFAOYSA-N -1 3 322.792 2.559 20 10 DFCDHM C[C@@H](NCc1nnc2n1CCC2)c1ccc2ccccc2c1[O-] ZINC000273441908 130121911 /nfs/dbraw/zinc/12/19/11/130121911.db2.gz YVMWWUPOOSGWQC-GFCCVEGCSA-N -1 3 308.385 2.934 20 10 DFCDHM COc1cc(Cl)cc(CNCc2cn3c(n2)CCCC3)c1[O-] ZINC000273770160 130164580 /nfs/dbraw/zinc/16/45/80/130164580.db2.gz QTPXXNIOKAGEGA-UHFFFAOYSA-N -1 3 321.808 2.877 20 10 DFCDHM O=C(C1CCN(Cc2cccc(F)c2[O-])CC1)C(F)(F)F ZINC000274952757 130277062 /nfs/dbraw/zinc/27/70/62/130277062.db2.gz SNAHAEOWOFRMMV-UHFFFAOYSA-N -1 3 305.271 2.875 20 10 DFCDHM CCCOc1ccc(CN2C[C@H](COC)OC(C)(C)C2)c([O-])c1 ZINC000284571673 131093565 /nfs/dbraw/zinc/09/35/65/131093565.db2.gz OGPVPVRGWLYICL-MRXNPFEDSA-N -1 3 323.433 2.807 20 10 DFCDHM C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000285510312 131175595 /nfs/dbraw/zinc/17/55/95/131175595.db2.gz MRRGSUYKPIYIPU-IYOUNJFTSA-N -1 3 319.401 2.644 20 10 DFCDHM COCCCN(Cc1ccncc1)Cc1cccc(F)c1[O-] ZINC000289495615 131390462 /nfs/dbraw/zinc/39/04/62/131390462.db2.gz SGWMYQFCSFPABR-UHFFFAOYSA-N -1 3 304.365 2.965 20 10 DFCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273437623 285575517 /nfs/dbraw/zinc/57/55/17/285575517.db2.gz XOGSHISVBKUUKB-YUMQZZPRSA-N -1 3 305.205 2.874 20 10 DFCDHM Cc1ccc(C(=O)N(C)CC2(O)CCCCCC2)c([O-])c1O ZINC000186932525 292048142 /nfs/dbraw/zinc/04/81/42/292048142.db2.gz UIUDZMRUTJJQGB-UHFFFAOYSA-N -1 3 307.390 2.564 20 10 DFCDHM Cc1ccc(C(=O)N2Cc3ccccc3OC[C@H]2C)c([O-])c1O ZINC000272861647 292070348 /nfs/dbraw/zinc/07/03/48/292070348.db2.gz SLWRUVLGRVCJJM-GFCCVEGCSA-N -1 3 313.353 2.830 20 10 DFCDHM C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407563 287062299 /nfs/dbraw/zinc/06/22/99/287062299.db2.gz OTADFUXCNDAENL-GPNNCHTKSA-N -1 3 314.341 2.609 20 10 DFCDHM C[C@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131037316 196134680 /nfs/dbraw/zinc/13/46/80/196134680.db2.gz WSYOWRGUROYKIP-CVJBHZAOSA-N -1 3 310.246 2.898 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CCO)c1[O-] ZINC000050132864 425881558 /nfs/dbraw/zinc/88/15/58/425881558.db2.gz QFTUNAZMSLIOFE-CQSZACIVSA-N -1 3 311.809 2.985 20 10 DFCDHM Cc1ccc(CNC(=O)CN(C)Cc2ccccc2[O-])cc1F ZINC000109773608 426032607 /nfs/dbraw/zinc/03/26/07/426032607.db2.gz NJEADJRFKXAPCW-UHFFFAOYSA-N -1 3 316.376 2.588 20 10 DFCDHM CC1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000134264807 426186702 /nfs/dbraw/zinc/18/67/02/426186702.db2.gz GPMPGCDDDDQWMI-AWEZNQCLSA-N -1 3 322.836 2.926 20 10 DFCDHM Cc1ccc([O-])c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000175426217 426303768 /nfs/dbraw/zinc/30/37/68/426303768.db2.gz GIPKJCOPWBVPGI-UHFFFAOYSA-N -1 3 312.369 2.806 20 10 DFCDHM C[C@@H](C(=O)NCC1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000264610931 426575998 /nfs/dbraw/zinc/57/59/98/426575998.db2.gz NNVQBRMSUSBCIM-AWEZNQCLSA-N -1 3 304.434 2.909 20 10 DFCDHM C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC2(CCOCC2)O1 ZINC000280449008 426576959 /nfs/dbraw/zinc/57/69/59/426576959.db2.gz LELGJFOUJRCTOM-GFCCVEGCSA-N -1 3 311.809 2.816 20 10 DFCDHM CCO[C@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCC2 ZINC000187120119 426631765 /nfs/dbraw/zinc/63/17/65/426631765.db2.gz AMROWCRIKOWZKE-GJZGRUSLSA-N -1 3 319.401 2.908 20 10 DFCDHM CC(C)S(=O)(=O)CCN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000290328000 426743046 /nfs/dbraw/zinc/74/30/46/426743046.db2.gz OTFBKNNWHPPQBK-SNVBAGLBSA-N -1 3 305.827 2.519 20 10 DFCDHM [O-]c1ccc(F)cc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281764728 426761954 /nfs/dbraw/zinc/76/19/54/426761954.db2.gz LSWZSKQTDORETA-HZPDHXFCSA-N -1 3 305.324 2.978 20 10 DFCDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000179513226 426798185 /nfs/dbraw/zinc/79/81/85/426798185.db2.gz PQEAQDRTZVJRMO-CHWSQXEVSA-N -1 3 307.390 2.682 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCCN(CC(F)F)CC1 ZINC000290591144 426799491 /nfs/dbraw/zinc/79/94/91/426799491.db2.gz VHMASZTYHNTMNZ-UHFFFAOYSA-N -1 3 304.768 2.818 20 10 DFCDHM COCCOC[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295248043 426875952 /nfs/dbraw/zinc/87/59/52/426875952.db2.gz FRQUSAJMACOSLH-NSHDSACASA-N -1 3 317.788 2.670 20 10 DFCDHM CCN(CCOCCO)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000282848339 426928432 /nfs/dbraw/zinc/92/84/32/426928432.db2.gz WCFKTDIMFXBWTI-UHFFFAOYSA-N -1 3 308.205 2.530 20 10 DFCDHM C[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000282878929 426933250 /nfs/dbraw/zinc/93/32/50/426933250.db2.gz VOVPCIYSKSVPMH-SFYZADRCSA-N -1 3 323.195 2.824 20 10 DFCDHM Cn1cc([C@]2(C)CN(Cc3c([O-])cccc3Cl)CCO2)cn1 ZINC000271265111 427472836 /nfs/dbraw/zinc/47/28/36/427472836.db2.gz IBOZMNGHECILOY-INIZCTEOSA-N -1 3 321.808 2.527 20 10 DFCDHM CCNC(=O)[C@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278227047 427425110 /nfs/dbraw/zinc/42/51/10/427425110.db2.gz JRNSPVPGBOOCIB-YUMQZZPRSA-N -1 3 305.205 2.874 20 10 DFCDHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286423000 427521921 /nfs/dbraw/zinc/52/19/21/427521921.db2.gz IMVLYEXHPXHBCR-WADBZAEESA-N -1 3 319.376 2.589 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000294323324 427624025 /nfs/dbraw/zinc/62/40/25/427624025.db2.gz RBGLFUBZPLBSJC-NSHDSACASA-N -1 3 324.787 2.688 20 10 DFCDHM [O-]c1c(F)cccc1CNc1ccccc1CN1CCOCC1 ZINC000294890115 427665564 /nfs/dbraw/zinc/66/55/64/427665564.db2.gz YKGCWNORNCXWQJ-UHFFFAOYSA-N -1 3 316.376 2.976 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000294459528 427642937 /nfs/dbraw/zinc/64/29/37/427642937.db2.gz YUCVKHSYVHPSJF-JSGCOSHPSA-N -1 3 317.813 2.891 20 10 DFCDHM CC(C)COC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000192999725 427649630 /nfs/dbraw/zinc/64/96/30/427649630.db2.gz CUOUEUBNCDERMN-ZDUSSCGKSA-N -1 3 319.357 2.835 20 10 DFCDHM CN(C)C(=O)O[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000294858318 427660457 /nfs/dbraw/zinc/66/04/57/427660457.db2.gz SVHFIBGKLPHZDL-LBPRGKRZSA-N -1 3 312.797 2.708 20 10 DFCDHM CN(Cc1nc2c(s1)CCCC2)C(=O)c1cccc(O)c1[O-] ZINC000193120504 427668034 /nfs/dbraw/zinc/66/80/34/427668034.db2.gz DFZNNMIKWJFWNT-UHFFFAOYSA-N -1 3 318.398 2.705 20 10 DFCDHM CCC(CC)[C@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000193154626 427674982 /nfs/dbraw/zinc/67/49/82/427674982.db2.gz WMOCMEDXEGKUPT-IUODEOHRSA-N -1 3 307.390 2.811 20 10 DFCDHM C[C@H](c1nccs1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000185609265 427680138 /nfs/dbraw/zinc/68/01/38/427680138.db2.gz LOMAMOCEUYQBJH-CYBMUJFWSA-N -1 3 303.431 2.728 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N(Cc1ccc(O)cc1)CC1CC1 ZINC000185870841 427723419 /nfs/dbraw/zinc/72/34/19/427723419.db2.gz HNXINLYCYJKCFA-UHFFFAOYSA-N -1 3 313.353 2.856 20 10 DFCDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000185866240 427720384 /nfs/dbraw/zinc/72/03/84/427720384.db2.gz FOBZMEKWBHUWAU-JTQLQIEISA-N -1 3 307.369 2.687 20 10 DFCDHM CC(C)[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000279879378 427726272 /nfs/dbraw/zinc/72/62/72/427726272.db2.gz FRYUGZMGFMHTCS-SNVBAGLBSA-N -1 3 310.781 2.854 20 10 DFCDHM O=c1[nH]ccc2c1CN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000369593456 428009627 /nfs/dbraw/zinc/00/96/27/428009627.db2.gz GBTFBQNKTKNUGU-UHFFFAOYSA-N -1 3 308.740 2.844 20 10 DFCDHM Cc1nc(C)n(C[C@@H]2CCCCN2Cc2cccc(F)c2[O-])n1 ZINC000361050406 428533804 /nfs/dbraw/zinc/53/38/04/428533804.db2.gz HCKCSEDXZOJSEB-HNNXBMFYSA-N -1 3 318.396 2.794 20 10 DFCDHM C[C@H](NCc1ccc(-n2ccnc2)nc1)c1ccc(F)cc1[O-] ZINC000363848336 428997472 /nfs/dbraw/zinc/99/74/72/428997472.db2.gz FJAQNMIAXWYCKR-LBPRGKRZSA-N -1 3 312.348 2.963 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H](C2CC2)C1 ZINC000364496250 429214546 /nfs/dbraw/zinc/21/45/46/429214546.db2.gz RVOUGTVHVJNJSK-CQSZACIVSA-N -1 3 312.207 2.766 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](c2ccc(F)cc2)C1 ZINC000365928903 429405386 /nfs/dbraw/zinc/40/53/86/429405386.db2.gz GKSSJUUQFCFECG-GFCCVEGCSA-N -1 3 301.317 2.867 20 10 DFCDHM C[C@@H]1OCC[C@@]12CN(Cc1cc(Cl)ccc1[O-])C[C@@H](C)O2 ZINC000365751448 429367362 /nfs/dbraw/zinc/36/73/62/429367362.db2.gz CETDPMYZDWRYQJ-BFQNTYOBSA-N -1 3 311.809 2.814 20 10 DFCDHM Cc1c(/C=C\C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cnn1C ZINC000493359917 429746160 /nfs/dbraw/zinc/74/61/60/429746160.db2.gz VVEIJQAVLOUEAO-QDZRJHCZSA-N -1 3 311.385 2.988 20 10 DFCDHM Cc1nc([C@H]2COCCN2Cc2cc(Cl)cc(C)c2[O-])no1 ZINC000369472525 429952684 /nfs/dbraw/zinc/95/26/84/429952684.db2.gz SXXMQJMICLNZMN-CYBMUJFWSA-N -1 3 323.780 2.619 20 10 DFCDHM CC(C)n1ncc2c1[C@H](NC(=O)c1cccc(O)c1[O-])CCC2 ZINC000365777592 278147607 /nfs/dbraw/zinc/14/76/07/278147607.db2.gz BBSBCBSOWYSQKK-CYBMUJFWSA-N -1 3 315.373 2.683 20 10 DFCDHM CS[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295129612 335132406 /nfs/dbraw/zinc/13/24/06/335132406.db2.gz XUNXBSQVUAUASI-SNVBAGLBSA-N -1 3 302.783 2.891 20 10 DFCDHM Cc1ccc(NCc2cc(Cl)ccc2[O-])cc1-n1cnnn1 ZINC000122600973 333451670 /nfs/dbraw/zinc/45/16/70/333451670.db2.gz VBAZYNYAYRREKL-UHFFFAOYSA-N -1 3 315.764 2.942 20 10 DFCDHM CC(C)c1nc([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273466477 334047512 /nfs/dbraw/zinc/04/75/12/334047512.db2.gz IYVMKYMXEBBSTL-VHSXEESVSA-N -1 3 319.365 2.954 20 10 DFCDHM COc1c([O-])c(CN(C)[C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000278515939 334097432 /nfs/dbraw/zinc/09/74/32/334097432.db2.gz QSQPTNDEAFBCSX-LLVKDONJSA-N -1 3 317.345 2.897 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC(OC[C@@H]2CCOC2)CC1 ZINC000369964372 336874941 /nfs/dbraw/zinc/87/49/41/336874941.db2.gz LWEMQJMORXZNCV-CYBMUJFWSA-N -1 3 309.381 2.549 20 10 DFCDHM COCCn1ncc2c1[C@H](NCc1cccc(F)c1[O-])CCC2 ZINC000375208755 337005940 /nfs/dbraw/zinc/00/59/40/337005940.db2.gz SHYFWJPPUYLFQI-OAHLLOKOSA-N -1 3 319.380 2.541 20 10 DFCDHM C[C@]1(c2cccs2)C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000375670114 337016197 /nfs/dbraw/zinc/01/61/97/337016197.db2.gz ZPCOETIGDPODAT-QFYYESIMSA-N -1 3 303.383 2.867 20 10 DFCDHM [O-]c1c(Cl)cccc1CN[C@@]1(CO)CCc2ccccc21 ZINC000305782110 337037179 /nfs/dbraw/zinc/03/71/79/337037179.db2.gz PHKMGKISILKGNR-QGZVFWFLSA-N -1 3 303.789 2.969 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000377672050 337058125 /nfs/dbraw/zinc/05/81/25/337058125.db2.gz AOBHJNLDQDTSJN-AEGPPILISA-N -1 3 317.389 2.997 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCc3ccc(CO)cc32)c1[O-] ZINC000378323536 337069764 /nfs/dbraw/zinc/06/97/64/337069764.db2.gz LKMVLGIBZUUUOW-UHFFFAOYSA-N -1 3 315.344 2.789 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000378536965 337075461 /nfs/dbraw/zinc/07/54/61/337075461.db2.gz VIFLQOFQZMBKBZ-UHFFFAOYSA-N -1 3 324.359 2.847 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1[O-] ZINC000180707769 337177330 /nfs/dbraw/zinc/17/73/30/337177330.db2.gz AAPHOAUFLWFWMM-GJZGRUSLSA-N -1 3 311.809 2.734 20 10 DFCDHM O=C1NCCN(Cc2ccccc2[O-])[C@@H]1c1ccccc1Cl ZINC000183215395 337192348 /nfs/dbraw/zinc/19/23/48/337192348.db2.gz CLWOGCWIUNRYEQ-MRXNPFEDSA-N -1 3 316.788 2.719 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1Cc2ccccc2[C@@H]1O ZINC000191086267 337293674 /nfs/dbraw/zinc/29/36/74/337293674.db2.gz ZFBUDFLKNVWLKO-BBRMVZONSA-N -1 3 307.752 2.933 20 10 DFCDHM O=C(/C=C/c1cncc([O-])c1)N1CCc2cc(F)c(F)cc21 ZINC000492986757 339914238 /nfs/dbraw/zinc/91/42/38/339914238.db2.gz CIGGVAVTLGIEAL-OWOJBTEDSA-N -1 3 302.280 2.668 20 10 DFCDHM Cc1cc(Cl)cc(CN(CCO)Cc2cccnc2)c1[O-] ZINC000180052117 524861462 /nfs/dbraw/zinc/86/14/62/524861462.db2.gz PCMIFUYUSWOANX-UHFFFAOYSA-N -1 3 306.793 2.744 20 10 DFCDHM Cc1cc(Br)cc(CN2CCO[C@H](C)C2)c1[O-] ZINC000124523736 526158283 /nfs/dbraw/zinc/15/82/83/526158283.db2.gz QTPWJHRGYKDRMK-SNVBAGLBSA-N -1 3 300.196 2.684 20 10 DFCDHM Cc1ccc(C(=O)NC[C@@H]2CCOc3ccccc32)c([O-])c1O ZINC000182408360 526177123 /nfs/dbraw/zinc/17/71/23/526177123.db2.gz HNMXKKUGXHWHHA-LBPRGKRZSA-N -1 3 313.353 2.702 20 10 DFCDHM Cc1ccc(C(=O)Nc2ccnn2[C@H](C)C2CC2)c([O-])c1O ZINC000182307744 526228002 /nfs/dbraw/zinc/22/80/02/526228002.db2.gz KUPSXFVMCQSWMV-SNVBAGLBSA-N -1 3 301.346 2.826 20 10 DFCDHM Cc1csc(N2CCN(Cc3cc(F)ccc3[O-])CC2)n1 ZINC000179931787 526380255 /nfs/dbraw/zinc/38/02/55/526380255.db2.gz SITGWZYXYWQZON-UHFFFAOYSA-N -1 3 307.394 2.618 20 10 DFCDHM CN(C)c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000736774618 598494712 /nfs/dbraw/zinc/49/47/12/598494712.db2.gz VXXCQRDJLYZDQF-UTCJRWHESA-N -1 3 310.336 2.637 20 10 DFCDHM CN(C)c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000736774618 598494713 /nfs/dbraw/zinc/49/47/13/598494713.db2.gz VXXCQRDJLYZDQF-UTCJRWHESA-N -1 3 310.336 2.637 20 10 DFCDHM Cc1cc(CN2CC[C@@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832883413 601371466 /nfs/dbraw/zinc/37/14/66/601371466.db2.gz SUJWWXMIDGVFDV-KRWDZBQOSA-N -1 3 309.381 2.997 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832504726 601814527 /nfs/dbraw/zinc/81/45/27/601814527.db2.gz VDZMJVRWOLDJHE-IAQYHMDHSA-N -1 3 315.369 2.707 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832504726 601814528 /nfs/dbraw/zinc/81/45/28/601814528.db2.gz VDZMJVRWOLDJHE-IAQYHMDHSA-N -1 3 315.369 2.707 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)c2c1 ZINC000832504727 601814545 /nfs/dbraw/zinc/81/45/45/601814545.db2.gz VDZMJVRWOLDJHE-NHYWBVRUSA-N -1 3 315.369 2.707 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)[C@@H](C(=O)[O-])C3)c2c1 ZINC000832504727 601814546 /nfs/dbraw/zinc/81/45/46/601814546.db2.gz VDZMJVRWOLDJHE-NHYWBVRUSA-N -1 3 315.369 2.707 20 10 DFCDHM COc1ccc(O)c([C@H](C)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000833733632 605126782 /nfs/dbraw/zinc/12/67/82/605126782.db2.gz LXRGFEVLGINCAK-VIFPVBQESA-N -1 3 305.330 2.851 20 10 DFCDHM Oc1ccccc1CNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826511333 608377119 /nfs/dbraw/zinc/37/71/19/608377119.db2.gz LIXFLOPOJPKTNR-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM Oc1ccccc1CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826511333 608377121 /nfs/dbraw/zinc/37/71/21/608377121.db2.gz LIXFLOPOJPKTNR-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM C[C@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093482455 398640011 /nfs/dbraw/zinc/64/00/11/398640011.db2.gz PISQMPDBDQCNDO-CABZTGNLSA-N -1 3 314.769 2.689 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCN3CCC[C@@H]3C2)c1[O-] ZINC000094267494 193355661 /nfs/dbraw/zinc/35/56/61/193355661.db2.gz ALEXGLAPTSWCEX-CQSZACIVSA-N -1 3 308.809 2.528 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2cnn(C)c2)c1[O-] ZINC000273242606 130099987 /nfs/dbraw/zinc/09/99/87/130099987.db2.gz APPHBHOWAVRBFE-SECBINFHSA-N -1 3 307.781 2.833 20 10 DFCDHM C[C@H](NCc1nccn1C)c1ccc(Br)cc1[O-] ZINC000273364302 130113204 /nfs/dbraw/zinc/11/32/04/130113204.db2.gz BDAHXANBVASTSM-VIFPVBQESA-N -1 3 310.195 2.739 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000273388794 130116548 /nfs/dbraw/zinc/11/65/48/130116548.db2.gz KECVBEWNBPFTPS-NEPJUHHUSA-N -1 3 300.358 2.986 20 10 DFCDHM C[C@H](NCc1nnc2n1CCC2)c1ccc2ccccc2c1[O-] ZINC000273441914 130122894 /nfs/dbraw/zinc/12/28/94/130122894.db2.gz YVMWWUPOOSGWQC-LBPRGKRZSA-N -1 3 308.385 2.934 20 10 DFCDHM O=C(Nc1nc(C2CCOCC2)cs1)c1cccc(O)c1[O-] ZINC000286492293 131238432 /nfs/dbraw/zinc/23/84/32/131238432.db2.gz VTJXABLOJHJORW-UHFFFAOYSA-N -1 3 320.370 2.701 20 10 DFCDHM C[C@@H](NCc1cccc(N(C)C)n1)c1ccc(F)c(F)c1[O-] ZINC000187806598 287041179 /nfs/dbraw/zinc/04/11/79/287041179.db2.gz LZOLYSOVVMOGII-SNVBAGLBSA-N -1 3 307.344 2.982 20 10 DFCDHM O=[N+]([O-])c1ccc(OC2CN(Cc3ccccc3[O-])C2)cc1 ZINC000297401401 227118762 /nfs/dbraw/zinc/11/87/62/227118762.db2.gz LJQIWUHZXSNKNC-UHFFFAOYSA-N -1 3 300.314 2.564 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](N3CCCC3)C2)c1[O-] ZINC000102827309 425929096 /nfs/dbraw/zinc/92/90/96/425929096.db2.gz SNYVGSFHELLQTH-HNNXBMFYSA-N -1 3 322.836 2.918 20 10 DFCDHM CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccccc2[O-])c1C ZINC000109769488 426032372 /nfs/dbraw/zinc/03/23/72/426032372.db2.gz AQLZMEJFTRQYIJ-UHFFFAOYSA-N -1 3 314.385 2.854 20 10 DFCDHM C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000111235797 426038991 /nfs/dbraw/zinc/03/89/91/426038991.db2.gz KWUCXQXLISVCIH-GDBMZVCRSA-N -1 3 304.434 2.861 20 10 DFCDHM O=C(CC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269016 426185636 /nfs/dbraw/zinc/18/56/36/426185636.db2.gz IVABUHUZRGTAFP-HNNXBMFYSA-N -1 3 322.836 2.926 20 10 DFCDHM CC1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000134264783 426186760 /nfs/dbraw/zinc/18/67/60/426186760.db2.gz GPMPGCDDDDQWMI-CQSZACIVSA-N -1 3 322.836 2.926 20 10 DFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1O ZINC000148635319 426259207 /nfs/dbraw/zinc/25/92/07/426259207.db2.gz HGCZGAPTNNRWIH-UHFFFAOYSA-N -1 3 303.383 2.990 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC(n3ccnc3)CC2)c1[O-] ZINC000175663926 426320444 /nfs/dbraw/zinc/32/04/44/426320444.db2.gz KDFRKAZSDPFMPC-UHFFFAOYSA-N -1 3 317.364 2.768 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3ccco3)C2)c1[O-] ZINC000121217618 426326472 /nfs/dbraw/zinc/32/64/72/426326472.db2.gz XBTYQEUDHCFMFN-MRXNPFEDSA-N -1 3 319.332 2.900 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H](c3ccco3)C2)c1[O-] ZINC000121217443 426326540 /nfs/dbraw/zinc/32/65/40/426326540.db2.gz XBTYQEUDHCFMFN-INIZCTEOSA-N -1 3 319.332 2.900 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000153051338 426368380 /nfs/dbraw/zinc/36/83/80/426368380.db2.gz ZIUBTEKAPQXKBD-WBMJQRKESA-N -1 3 307.365 2.735 20 10 DFCDHM CCOC(=O)C1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000177227018 426457011 /nfs/dbraw/zinc/45/70/11/426457011.db2.gz IDNLOVLAHUKJEU-UHFFFAOYSA-N -1 3 323.364 2.509 20 10 DFCDHM C[C@H](NCC(=O)NCCc1ccccc1)c1ccc(F)cc1[O-] ZINC000186307405 426502585 /nfs/dbraw/zinc/50/25/85/426502585.db2.gz RHDKAHCDNRMUAL-ZDUSSCGKSA-N -1 3 316.376 2.541 20 10 DFCDHM Cc1nc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])cs1 ZINC000280531070 426594752 /nfs/dbraw/zinc/59/47/52/426594752.db2.gz RQRJXJXLWQOMJE-LBPRGKRZSA-N -1 3 304.371 2.840 20 10 DFCDHM CCCC[C@@H](NCc1cc(Cl)cc(OC)c1[O-])C(=O)OC ZINC000187390086 426656094 /nfs/dbraw/zinc/65/60/94/426656094.db2.gz HQVGJJSALWELFC-GFCCVEGCSA-N -1 3 315.797 2.876 20 10 DFCDHM CO[C@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296027268 427048374 /nfs/dbraw/zinc/04/83/74/427048374.db2.gz NJKYZGFKNJQIIH-HNNXBMFYSA-N -1 3 309.381 2.981 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCS[C@H]2COCC[C@H]21 ZINC000248839651 427049752 /nfs/dbraw/zinc/04/97/52/427049752.db2.gz KXVUNMLXQPFEPT-YPMHNXCESA-N -1 3 317.813 2.891 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C[C@H](C)O)c1[O-] ZINC000269810963 427281827 /nfs/dbraw/zinc/28/18/27/427281827.db2.gz OTGBFGYRNURKFP-HZMBPMFUSA-N -1 3 311.809 2.984 20 10 DFCDHM CC[C@H](C)NC(=O)[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000293624534 427385975 /nfs/dbraw/zinc/38/59/75/427385975.db2.gz MTQRXXGUQUNIOP-DTWKUNHWSA-N -1 3 302.777 2.578 20 10 DFCDHM CC1(CO)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000184075061 427387344 /nfs/dbraw/zinc/38/73/44/427387344.db2.gz RHAAKYLCPCJZCA-UHFFFAOYSA-N -1 3 314.223 2.749 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(F)(F)[C@@H](CO)C1 ZINC000293822190 427451387 /nfs/dbraw/zinc/45/13/87/427451387.db2.gz FZDCVVVMCWHVPF-SECBINFHSA-N -1 3 309.715 2.634 20 10 DFCDHM CCC1(O)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000271169042 427427011 /nfs/dbraw/zinc/42/70/11/427427011.db2.gz DAWMXMSMMIVTFF-UHFFFAOYSA-N -1 3 314.223 2.892 20 10 DFCDHM CC1(CNCc2cc(Cl)cc(Cl)c2[O-])OCCCO1 ZINC000192249546 427510033 /nfs/dbraw/zinc/51/00/33/427510033.db2.gz XSROJRQDQQMEFQ-UHFFFAOYSA-N -1 3 306.189 2.942 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1[O-] ZINC000271903977 427592238 /nfs/dbraw/zinc/59/22/38/427592238.db2.gz ZXRLOBMQAXPAED-BFKGZMGPSA-N -1 3 301.839 2.695 20 10 DFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1O ZINC000271934381 427597283 /nfs/dbraw/zinc/59/72/83/427597283.db2.gz JRALIXLNYOEYRL-UHFFFAOYSA-N -1 3 319.382 2.826 20 10 DFCDHM O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000193007672 427649419 /nfs/dbraw/zinc/64/94/19/427649419.db2.gz OIQVSKJCZLEZCM-CVEARBPZSA-N -1 3 313.353 2.748 20 10 DFCDHM Cc1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])c(=O)n1C ZINC000279440384 427671197 /nfs/dbraw/zinc/67/11/97/427671197.db2.gz HJMQYYPHLIMUBK-SNVBAGLBSA-N -1 3 308.328 2.528 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000279831176 427721162 /nfs/dbraw/zinc/72/11/62/427721162.db2.gz QZSOFEMPXKRLJX-ABAIWWIYSA-N -1 3 309.381 2.859 20 10 DFCDHM CC[C@@](C)(NC(=O)c1cccc(O)c1[O-])c1nc(C)cs1 ZINC000185730723 427696609 /nfs/dbraw/zinc/69/66/09/427696609.db2.gz MAVBRYMSVADLRK-OAHLLOKOSA-N -1 3 306.387 2.918 20 10 DFCDHM Cc1nnc([C@@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)o1 ZINC000369680328 428034300 /nfs/dbraw/zinc/03/43/00/428034300.db2.gz FCPWOTPYHKXFJM-ZDUSSCGKSA-N -1 3 323.780 2.619 20 10 DFCDHM CCc1nc([C@H]2CCCN(Cc3cccc(F)c3[O-])C2)no1 ZINC000361054240 428533687 /nfs/dbraw/zinc/53/36/87/428533687.db2.gz UNTVEYOGIZPJRX-LBPRGKRZSA-N -1 3 305.353 2.856 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000374354398 428677558 /nfs/dbraw/zinc/67/75/58/428677558.db2.gz FBWUFSLLTJSRRX-AWEZNQCLSA-N -1 3 321.392 2.982 20 10 DFCDHM NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(Cl)ccc1[O-] ZINC000362614151 428794945 /nfs/dbraw/zinc/79/49/45/428794945.db2.gz DSSMRVAAXQFCDP-HONMWMINSA-N -1 3 308.809 2.664 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@]23CCOC3)c1[O-] ZINC000367047364 429565253 /nfs/dbraw/zinc/56/52/53/429565253.db2.gz IIRWOAPRWVLQKZ-CQSZACIVSA-N -1 3 312.753 2.709 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1C[C@@H](OC)C[C@@H]1c1nc(C)no1 ZINC000367359680 429631144 /nfs/dbraw/zinc/63/11/44/429631144.db2.gz AOBHJNLDQDTSJN-NWANDNLSSA-N -1 3 317.389 2.997 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000367457443 429653080 /nfs/dbraw/zinc/65/30/80/429653080.db2.gz GMVWCRDMSDNXJU-CVEARBPZSA-N -1 3 307.365 2.877 20 10 DFCDHM Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000369284327 429922161 /nfs/dbraw/zinc/92/21/61/429922161.db2.gz RBIMJSYROFMJMC-LBPRGKRZSA-N -1 3 317.345 2.547 20 10 DFCDHM CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C(F)(F)F ZINC000273452897 288080680 /nfs/dbraw/zinc/08/06/80/288080680.db2.gz GNHLVISKZDPCOM-INNHCVQGSA-N -1 3 322.283 2.653 20 10 DFCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@]2(CCCOC2)O1 ZINC000366463083 300270655 /nfs/dbraw/zinc/27/06/55/300270655.db2.gz NVATURXSMPEAHV-LRDDRELGSA-N -1 3 311.809 2.816 20 10 DFCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)NCc1ccccc1 ZINC000185183963 333205180 /nfs/dbraw/zinc/20/51/80/333205180.db2.gz WBFXDVZQHPZIHJ-STQMWFEESA-N -1 3 316.376 2.887 20 10 DFCDHM CN(Cc1cccc(F)c1[O-])C[C@@H]1COc2ccccc2O1 ZINC000272340851 334033747 /nfs/dbraw/zinc/03/37/47/334033747.db2.gz YORQAPABHNEXCT-CYBMUJFWSA-N -1 3 303.333 2.803 20 10 DFCDHM COc1ccccc1CNCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278889971 334102937 /nfs/dbraw/zinc/10/29/37/334102937.db2.gz POCFYKHAXWIVPF-UHFFFAOYSA-N -1 3 318.329 2.607 20 10 DFCDHM CCc1nnc([C@@H]2CN([C@H](CC)c3ccccc3[O-])CCO2)o1 ZINC000377669252 337057971 /nfs/dbraw/zinc/05/79/71/337057971.db2.gz DINLEWHDXMJCEF-HIFRSBDPSA-N -1 3 317.389 2.862 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@H](c2nnc(C)o2)C1 ZINC000377713717 337059347 /nfs/dbraw/zinc/05/93/47/337059347.db2.gz AKUKRIQPSWLMPE-ZFWWWQNUSA-N -1 3 303.362 2.608 20 10 DFCDHM O=C(Nc1ccc2c(c1)CCCC(=O)N2)c1cccc(O)c1[O-] ZINC000187072555 337261668 /nfs/dbraw/zinc/26/16/68/337261668.db2.gz MUBAICWDFMCRFH-UHFFFAOYSA-N -1 3 312.325 2.625 20 10 DFCDHM CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000187145237 337262983 /nfs/dbraw/zinc/26/29/83/337262983.db2.gz CJGRDMDVRRFCPU-NSHDSACASA-N -1 3 317.345 2.582 20 10 DFCDHM O=C(Nc1cnn(-c2ccccc2F)c1)c1cccc(O)c1[O-] ZINC000187181325 337263538 /nfs/dbraw/zinc/26/35/38/337263538.db2.gz ZSYQTDOXIDCERQ-UHFFFAOYSA-N -1 3 313.288 2.675 20 10 DFCDHM CCc1c(NC(=O)c2cccc(O)c2[O-])n[nH]c1-c1ccncc1 ZINC000192991006 337308726 /nfs/dbraw/zinc/30/87/26/337308726.db2.gz RIOZBLWFWKSNPF-UHFFFAOYSA-N -1 3 324.340 2.698 20 10 DFCDHM CC(C)C(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000123559956 337399870 /nfs/dbraw/zinc/39/98/70/337399870.db2.gz SENSMKLIUNXDLD-UHFFFAOYSA-N -1 3 310.825 2.736 20 10 DFCDHM C[C@H](N[C@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000249081000 337569545 /nfs/dbraw/zinc/56/95/45/337569545.db2.gz LPWMDAPDUCVRMK-JNHRWOMLSA-N -1 3 305.324 2.979 20 10 DFCDHM CCCOc1ccc(CN(CC)C[C@H](O)C(F)(F)F)c([O-])c1 ZINC000189863903 520344786 /nfs/dbraw/zinc/34/47/86/520344786.db2.gz OHGCQXFNTVCBAK-AWEZNQCLSA-N -1 3 321.339 2.926 20 10 DFCDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000266517025 522014291 /nfs/dbraw/zinc/01/42/91/522014291.db2.gz ZBJDLKSRKAZNHB-UHFFFAOYSA-N -1 3 321.398 2.690 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c([O-])c1O ZINC000182830948 526213836 /nfs/dbraw/zinc/21/38/36/526213836.db2.gz JAROIPCXUGXZJD-LBPRGKRZSA-N -1 3 305.374 2.628 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000369101496 526326343 /nfs/dbraw/zinc/32/63/43/526326343.db2.gz XVWTXOLETYLDLJ-OAHLLOKOSA-N -1 3 321.808 2.714 20 10 DFCDHM COCCOc1ncccc1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000273430490 536743046 /nfs/dbraw/zinc/74/30/46/536743046.db2.gz VMVMMVFOBZZOQK-GFCCVEGCSA-N -1 3 320.364 2.802 20 10 DFCDHM Cc1cc(Br)cc(C[NH2+]CCCCC(=O)[O-])c1[O-] ZINC000820953807 598193476 /nfs/dbraw/zinc/19/34/76/598193476.db2.gz DMEXBHDWXHKSSV-UHFFFAOYSA-N -1 3 316.195 2.808 20 10 DFCDHM C[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000736812299 600372101 /nfs/dbraw/zinc/37/21/01/600372101.db2.gz VNLGTBDSDNQWFS-TXEJJXNPSA-N -1 3 315.369 2.853 20 10 DFCDHM O=C([O-])N1CCC[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000834110081 605562620 /nfs/dbraw/zinc/56/26/20/605562620.db2.gz VUEDTHHLOPYHAA-HNNXBMFYSA-N -1 3 304.390 2.747 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110636 605563014 /nfs/dbraw/zinc/56/30/14/605563014.db2.gz XLWCDPOPWQFRTR-DOMZBBRYSA-N -1 3 322.380 2.886 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110636 605563015 /nfs/dbraw/zinc/56/30/15/605563015.db2.gz XLWCDPOPWQFRTR-DOMZBBRYSA-N -1 3 322.380 2.886 20 10 DFCDHM Oc1ccccc1CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000826511455 608377090 /nfs/dbraw/zinc/37/70/90/608377090.db2.gz QWYKKZDYKAYVAL-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM Oc1ccccc1CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC000826511455 608377092 /nfs/dbraw/zinc/37/70/92/608377092.db2.gz QWYKKZDYKAYVAL-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CSC ZINC000075416996 191472365 /nfs/dbraw/zinc/47/23/65/191472365.db2.gz XWNFHFIZVVZZOI-UHFFFAOYSA-N -1 3 318.236 2.866 20 10 DFCDHM Cc1cnc(N2CCN(Cc3cc(F)ccc3[O-])CC2)s1 ZINC000272277538 130015744 /nfs/dbraw/zinc/01/57/44/130015744.db2.gz MHTZMGJTQYNTQD-UHFFFAOYSA-N -1 3 307.394 2.618 20 10 DFCDHM Cc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)c([O-])c1O ZINC000272732447 130058595 /nfs/dbraw/zinc/05/85/95/130058595.db2.gz KHLOPTORGWHEAA-UHFFFAOYSA-N -1 3 301.264 2.741 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1O ZINC000272955796 130077015 /nfs/dbraw/zinc/07/70/15/130077015.db2.gz IWIUZSPRQMGZCJ-DGCLKSJQSA-N -1 3 307.390 2.730 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nc(C)cs2)c1 ZINC000273297600 130104190 /nfs/dbraw/zinc/10/41/90/130104190.db2.gz ANCQDYDVMFECEE-SNVBAGLBSA-N -1 3 306.387 2.795 20 10 DFCDHM C[C@@H](NCc1nccn1C)c1ccc(Br)cc1[O-] ZINC000273364300 130113170 /nfs/dbraw/zinc/11/31/70/130113170.db2.gz BDAHXANBVASTSM-SECBINFHSA-N -1 3 310.195 2.739 20 10 DFCDHM Cc1c([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000273391242 130116317 /nfs/dbraw/zinc/11/63/17/130116317.db2.gz KVEITPDCZLYSMB-UWVGGRQHSA-N -1 3 304.350 2.754 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CCO)c2ccco2)c1 ZINC000274459818 130237361 /nfs/dbraw/zinc/23/73/61/130237361.db2.gz NYIKWJWXUYAGAY-BXUZGUMPSA-N -1 3 319.357 2.546 20 10 DFCDHM CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000284733080 131107837 /nfs/dbraw/zinc/10/78/37/131107837.db2.gz UAEZQKGGGXQONO-ZMSDIMECSA-N -1 3 309.381 2.547 20 10 DFCDHM CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000286422990 131235631 /nfs/dbraw/zinc/23/56/31/131235631.db2.gz IMVLYEXHPXHBCR-GGIWKMKYSA-N -1 3 319.376 2.589 20 10 DFCDHM [O-]c1c(Cl)cccc1CN(CCCO)Cc1ccccn1 ZINC000289178013 131364132 /nfs/dbraw/zinc/36/41/32/131364132.db2.gz AEIFODQGRNZNDF-UHFFFAOYSA-N -1 3 306.793 2.825 20 10 DFCDHM [O-]c1cccc(Cl)c1CN(CCCO)Cc1ccccn1 ZINC000289539844 131394294 /nfs/dbraw/zinc/39/42/94/131394294.db2.gz WSYXXWJISUDJFO-UHFFFAOYSA-N -1 3 306.793 2.825 20 10 DFCDHM Cc1ccc(C(=O)N2Cc3ccccc3OC[C@@H]2C)c([O-])c1O ZINC000272861650 292070396 /nfs/dbraw/zinc/07/03/96/292070396.db2.gz SLWRUVLGRVCJJM-LBPRGKRZSA-N -1 3 313.353 2.830 20 10 DFCDHM C[C@H]1Cc2ccccc2N1C(=O)CN(C)Cc1ccccc1[O-] ZINC000109771040 426032239 /nfs/dbraw/zinc/03/22/39/426032239.db2.gz HLSOMRIPCUMEOP-AWEZNQCLSA-N -1 3 310.397 2.802 20 10 DFCDHM CN(CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1[O-] ZINC000109769406 426033296 /nfs/dbraw/zinc/03/32/96/426033296.db2.gz HBCBRIKXTVGLNR-UHFFFAOYSA-N -1 3 316.376 2.622 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CCOC ZINC000075416859 426073034 /nfs/dbraw/zinc/07/30/34/426073034.db2.gz PFGPTRODHWFSQX-UHFFFAOYSA-N -1 3 316.195 2.540 20 10 DFCDHM CC1(C)COCCN1Cc1cc(Br)ccc1[O-] ZINC000133547675 426181416 /nfs/dbraw/zinc/18/14/16/426181416.db2.gz WOCNVSRFGSHIFS-UHFFFAOYSA-N -1 3 300.196 2.766 20 10 DFCDHM Cc1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)on1 ZINC000171934497 426218891 /nfs/dbraw/zinc/21/88/91/426218891.db2.gz OYVDTGRHUHVIGF-HNNXBMFYSA-N -1 3 302.374 2.870 20 10 DFCDHM CCN(Cc1cnn(C)c1)Cc1cc(Br)ccc1[O-] ZINC000174423801 426255972 /nfs/dbraw/zinc/25/59/72/426255972.db2.gz RNYCNDYDYCZJPM-UHFFFAOYSA-N -1 3 324.222 2.910 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000093820186 426357565 /nfs/dbraw/zinc/35/75/65/426357565.db2.gz JSKVUFIEGIWCMB-CQSZACIVSA-N -1 3 312.753 2.566 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000153051217 426368265 /nfs/dbraw/zinc/36/82/65/426368265.db2.gz ZIUBTEKAPQXKBD-MLGOLLRUSA-N -1 3 307.365 2.735 20 10 DFCDHM CCN(CCC(=O)OC)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177083302 426441264 /nfs/dbraw/zinc/44/12/64/426441264.db2.gz VEHSLCLZTSWPPO-UHFFFAOYSA-N -1 3 313.781 2.633 20 10 DFCDHM CC(C)C(=O)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000123579687 426441411 /nfs/dbraw/zinc/44/14/11/426441411.db2.gz OPZZCZRVYSDWBS-UHFFFAOYSA-N -1 3 310.825 2.736 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCSCC2)c1[O-] ZINC000272706167 426571928 /nfs/dbraw/zinc/57/19/28/426571928.db2.gz BRGRPKBOUJLWQX-UHFFFAOYSA-N -1 3 302.783 2.893 20 10 DFCDHM COc1ccccc1C1(CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000280364019 426557357 /nfs/dbraw/zinc/55/73/57/426557357.db2.gz CAEYPKYIHBENER-UHFFFAOYSA-N -1 3 313.353 2.568 20 10 DFCDHM CC(C)(O)c1ccc(CNCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000187499038 426667963 /nfs/dbraw/zinc/66/79/63/426667963.db2.gz CUERXKCJQFGONX-UHFFFAOYSA-N -1 3 316.357 2.818 20 10 DFCDHM COc1cc(Cl)cc(CN2CCOC[C@H]2CC(F)F)c1[O-] ZINC000289966224 426677954 /nfs/dbraw/zinc/67/79/54/426677954.db2.gz ZGNGTXJIUSIMSB-LLVKDONJSA-N -1 3 321.751 2.910 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000179586495 426804413 /nfs/dbraw/zinc/80/44/13/426804413.db2.gz ZKTYENABPWFFEU-MJGOQNOKSA-N -1 3 313.397 2.717 20 10 DFCDHM CCN(Cc1cc(Cl)cc(C)c1[O-])[C@H](C)CS(C)(=O)=O ZINC000180244580 426847236 /nfs/dbraw/zinc/84/72/36/426847236.db2.gz ZFLNNRAWNUHPMM-LLVKDONJSA-N -1 3 319.854 2.609 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000275538432 426867564 /nfs/dbraw/zinc/86/75/64/426867564.db2.gz YHMMDPXMCVUPTR-CQSZACIVSA-N -1 3 311.809 2.841 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@@](=O)C[C@@H](C)C2)c1[O-] ZINC000277432244 427199993 /nfs/dbraw/zinc/19/99/93/427199993.db2.gz JORJXGJRPHSUMG-APBUJDDRSA-N -1 3 301.839 2.554 20 10 DFCDHM CC[C@H](C)c1nc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277511730 427227500 /nfs/dbraw/zinc/22/75/00/427227500.db2.gz WLXDSULEEUAGSY-UWVGGRQHSA-N -1 3 319.365 2.783 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCO[C@@H](C(C)C)C2)c1[O-] ZINC000293191386 427240052 /nfs/dbraw/zinc/24/00/52/427240052.db2.gz QGOMKYKYCYWOOO-MRXNPFEDSA-N -1 3 309.381 2.981 20 10 DFCDHM C[C@@H](NCc1nnc2n1CCCC2)c1cc(Cl)ccc1[O-] ZINC000183867619 427352757 /nfs/dbraw/zinc/35/27/57/427352757.db2.gz XUIJGTWKHXLYLP-SNVBAGLBSA-N -1 3 306.797 2.824 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@@H](C)c1nnnn1C1CC1 ZINC000192049440 427470182 /nfs/dbraw/zinc/47/01/82/427470182.db2.gz MAHUZFKLKODOEL-LBPRGKRZSA-N -1 3 301.394 2.687 20 10 DFCDHM COc1ccc(C)nc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278461494 427439534 /nfs/dbraw/zinc/43/95/34/427439534.db2.gz FAUABBHSFWVAIO-UHFFFAOYSA-N -1 3 319.317 2.633 20 10 DFCDHM C[C@@H]1CN(C2CCOCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000278676377 427445904 /nfs/dbraw/zinc/44/59/04/427445904.db2.gz NPYNYZOBDWFXDX-CYBMUJFWSA-N -1 3 324.852 2.731 20 10 DFCDHM COc1c([O-])c(CN[C@@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000278575159 427446140 /nfs/dbraw/zinc/44/61/40/427446140.db2.gz DKKVPPRKRPBVPR-JTQLQIEISA-N -1 3 303.318 2.555 20 10 DFCDHM CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])cn1 ZINC000279091671 427556971 /nfs/dbraw/zinc/55/69/71/427556971.db2.gz NMVGTLJXRXUKJO-JTQLQIEISA-N -1 3 303.337 2.736 20 10 DFCDHM CCN(C)C(=O)[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(C)C ZINC000295046430 427672083 /nfs/dbraw/zinc/67/20/83/427672083.db2.gz NANJKXXKZGABBF-AWEZNQCLSA-N -1 3 316.804 2.777 20 10 DFCDHM Cn1nc(C2CCCC2)cc1NC(=O)c1cccc(O)c1[O-] ZINC000193158637 427675892 /nfs/dbraw/zinc/67/58/92/427675892.db2.gz KRXXXVXJVRYBHV-UHFFFAOYSA-N -1 3 301.346 2.741 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c([O-])c1 ZINC000279615281 427712805 /nfs/dbraw/zinc/71/28/05/427712805.db2.gz GCPPEIVLPKDBEG-KDOFPFPSSA-N -1 3 321.417 2.561 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000279831180 427719968 /nfs/dbraw/zinc/71/99/68/427719968.db2.gz QZSOFEMPXKRLJX-IAQYHMDHSA-N -1 3 309.381 2.859 20 10 DFCDHM O=C(NC1CCC(C(F)(F)F)CC1)c1cccc(O)c1[O-] ZINC000279905562 427727041 /nfs/dbraw/zinc/72/70/41/427727041.db2.gz HINMXLBQLBFVGT-UHFFFAOYSA-N -1 3 303.280 2.949 20 10 DFCDHM CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186029701 427742435 /nfs/dbraw/zinc/74/24/35/427742435.db2.gz SVXXEAKVIDGOOM-ZJUUUORDSA-N -1 3 305.827 2.519 20 10 DFCDHM O=S1(=O)C[C@H](NCc2c([O-])cccc2Cl)c2ccccc21 ZINC000370354609 428190891 /nfs/dbraw/zinc/19/08/91/428190891.db2.gz FKXRJLMPXQKFJA-ZDUSSCGKSA-N -1 3 323.801 2.664 20 10 DFCDHM Cc1nc(C)n(C[C@H]2CCCN2Cc2cccc(Cl)c2[O-])n1 ZINC000371423851 428388669 /nfs/dbraw/zinc/38/86/69/428388669.db2.gz DXMAAQNVKAHQFW-CQSZACIVSA-N -1 3 320.824 2.919 20 10 DFCDHM O=C(N[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000371338092 428383003 /nfs/dbraw/zinc/38/30/03/428383003.db2.gz YLKMARNPCVRNPX-CQSZACIVSA-N -1 3 308.809 2.536 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]1c1ncon1 ZINC000371375192 428386323 /nfs/dbraw/zinc/38/63/23/428386323.db2.gz UGBLNZBGIYTXIB-NSHDSACASA-N -1 3 324.178 2.875 20 10 DFCDHM CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(Cc2ccccc2[O-])C1 ZINC000372533531 428457439 /nfs/dbraw/zinc/45/74/39/428457439.db2.gz MGWKHHWZVGYLFO-UONOGXRCSA-N -1 3 315.373 2.615 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1[O-] ZINC000373710720 428637474 /nfs/dbraw/zinc/63/74/74/428637474.db2.gz ZZOOFWDDJNQLJS-HUUCEWRRSA-N -1 3 323.820 2.924 20 10 DFCDHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cc(F)ccc1[O-])C[C@H](C)O2 ZINC000373979274 428656490 /nfs/dbraw/zinc/65/64/90/428656490.db2.gz WDZFPLGGDDAATK-IIYDPXPESA-N -1 3 309.381 2.690 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000374898874 428781608 /nfs/dbraw/zinc/78/16/08/428781608.db2.gz RMAVENKOSBPLIX-UHFFFAOYSA-N -1 3 315.270 2.832 20 10 DFCDHM NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(Cl)ccc1[O-] ZINC000362614150 428794174 /nfs/dbraw/zinc/79/41/74/428794174.db2.gz DSSMRVAAXQFCDP-GDLCADMTSA-N -1 3 308.809 2.664 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000290088512 275060519 /nfs/dbraw/zinc/06/05/19/275060519.db2.gz GVQGZFIEKOPSOO-UHFFFAOYSA-N -1 3 301.317 2.905 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCc3ncccc3C2)c1[O-] ZINC000368327892 429831084 /nfs/dbraw/zinc/83/10/84/429831084.db2.gz HEOBTUZOKXTGTI-UHFFFAOYSA-N -1 3 300.333 2.687 20 10 DFCDHM CCc1nnc([C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)o1 ZINC000369291243 429922529 /nfs/dbraw/zinc/92/25/29/429922529.db2.gz XHMVFDHSSFECGI-ZDUSSCGKSA-N -1 3 323.780 2.565 20 10 DFCDHM Cc1cc([O-])c(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(Cl)c1 ZINC000529685227 430051117 /nfs/dbraw/zinc/05/11/17/430051117.db2.gz ZOPCPVAMOIGMCV-JGRMJRGVSA-N -1 3 313.850 2.839 20 10 DFCDHM CC(=O)Nc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000279086765 278197687 /nfs/dbraw/zinc/19/76/87/278197687.db2.gz NCVRHKDXSCHGGV-VIFPVBQESA-N -1 3 321.327 2.875 20 10 DFCDHM CC1(C)CN(C(=O)c2cccc(O)c2[O-])Cc2ccccc2O1 ZINC000290591724 278324420 /nfs/dbraw/zinc/32/44/20/278324420.db2.gz IPPHIBGMOBBKJG-UHFFFAOYSA-N -1 3 313.353 2.911 20 10 DFCDHM CC(C)[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nncn1C ZINC000294588425 280327237 /nfs/dbraw/zinc/32/72/37/280327237.db2.gz HFXXNFKIFOWCJK-ZDUSSCGKSA-N -1 3 312.776 2.800 20 10 DFCDHM C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407565 290034433 /nfs/dbraw/zinc/03/44/33/290034433.db2.gz OTADFUXCNDAENL-PZDALLCQSA-N -1 3 314.341 2.609 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](OCC(C)C)C2)c1[O-] ZINC000120135699 332383536 /nfs/dbraw/zinc/38/35/36/332383536.db2.gz FTJFHWCTSUUMMB-HNNXBMFYSA-N -1 3 309.381 2.981 20 10 DFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000266512855 333974130 /nfs/dbraw/zinc/97/41/30/333974130.db2.gz YKQINPOULNTHFR-NSHDSACASA-N -1 3 319.382 2.825 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2nnc(C)s2)c1 ZINC000274197349 334056799 /nfs/dbraw/zinc/05/67/99/334056799.db2.gz KWIHILGIHZWRFX-BDAKNGLRSA-N -1 3 321.402 2.751 20 10 DFCDHM CN(C)c1ccc(C2=CCN(C(=O)c3ccc(O)cc3[O-])C2)cc1 ZINC000368005369 336834177 /nfs/dbraw/zinc/83/41/77/336834177.db2.gz JMINSGPDQFRVKN-UHFFFAOYSA-N -1 3 324.380 2.703 20 10 DFCDHM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cc(F)ccc2[O-])C1 ZINC000374760227 336996562 /nfs/dbraw/zinc/99/65/62/336996562.db2.gz LUEDXDJJMSFPNA-INIZCTEOSA-N -1 3 314.360 2.599 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCCN(CC(F)F)CC1 ZINC000377887155 337063443 /nfs/dbraw/zinc/06/34/43/337063443.db2.gz DAFUEMHPYCSTKO-UHFFFAOYSA-N -1 3 322.758 2.958 20 10 DFCDHM Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2)c([O-])c1O ZINC000177675888 337158429 /nfs/dbraw/zinc/15/84/29/337158429.db2.gz SBNZKFZRFMQYNO-UHFFFAOYSA-N -1 3 323.352 2.522 20 10 DFCDHM Cc1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c([O-])c1O ZINC000182903266 337190584 /nfs/dbraw/zinc/19/05/84/337190584.db2.gz BSNCDDDHXCJARZ-BXUZGUMPSA-N -1 3 313.353 2.701 20 10 DFCDHM Cc1ccc([C@H](C)NCc2nnc3n2CCCCC3)c([O-])c1 ZINC000184878148 337200694 /nfs/dbraw/zinc/20/06/94/337200694.db2.gz LJQAXNMIVPBGEX-ZDUSSCGKSA-N -1 3 300.406 2.869 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](c2nccs2)C1 ZINC000187095743 337263265 /nfs/dbraw/zinc/26/32/65/337263265.db2.gz FELPVQATYSKXJD-JTQLQIEISA-N -1 3 304.371 2.574 20 10 DFCDHM Cc1csc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)n1 ZINC000188403880 337273208 /nfs/dbraw/zinc/27/32/08/337273208.db2.gz CWWMJFMXIGWFAQ-UHFFFAOYSA-N -1 3 318.398 2.883 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2[C@@H](C)CC(O)C[C@@H]2C)c1[O-] ZINC000191137488 518279279 /nfs/dbraw/zinc/27/92/79/518279279.db2.gz UUJZCKJZJIBZCP-UWVGGRQHSA-N -1 3 311.809 2.982 20 10 DFCDHM CN(CC(=O)N(C1CC1)C1CCCC1)Cc1ccccc1[O-] ZINC000264735781 522422524 /nfs/dbraw/zinc/42/25/24/522422524.db2.gz SGBKRIQYWRVTNK-UHFFFAOYSA-N -1 3 302.418 2.758 20 10 DFCDHM CNC(=O)[C@@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000228099449 524089439 /nfs/dbraw/zinc/08/94/39/524089439.db2.gz PGEGCQAGDOBBQS-AWEZNQCLSA-N -1 3 317.216 2.657 20 10 DFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000127034509 524983535 /nfs/dbraw/zinc/98/35/35/524983535.db2.gz BPNAYKHTOSATKU-AOOOYVTPSA-N -1 3 300.196 2.764 20 10 DFCDHM Cc1ccc(C(=O)N(C)[C@H]2CCCc3cccnc32)c([O-])c1O ZINC000364923795 526067201 /nfs/dbraw/zinc/06/72/01/526067201.db2.gz APSFOFVCIKAIRU-AWEZNQCLSA-N -1 3 312.369 2.951 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2nccs2)c([O-])c1O ZINC000364256402 526102999 /nfs/dbraw/zinc/10/29/99/526102999.db2.gz UQOOZHCEPKGEBW-LLVKDONJSA-N -1 3 304.371 2.840 20 10 DFCDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)cc1 ZINC000181412382 526111920 /nfs/dbraw/zinc/11/19/20/526111920.db2.gz FSOWLADQPZGRON-UHFFFAOYSA-N -1 3 310.397 2.659 20 10 DFCDHM O=C(C1CCCCC1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179998686 526299868 /nfs/dbraw/zinc/29/98/68/526299868.db2.gz QIOALSXPCKPBON-UHFFFAOYSA-N -1 3 320.408 2.756 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC(Nc2cccnn2)CC1 ZINC000180079781 526327423 /nfs/dbraw/zinc/32/74/23/526327423.db2.gz HSXWFVWJZCZBMY-UHFFFAOYSA-N -1 3 318.808 2.912 20 10 DFCDHM CC[C@@H]1COCCN1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736952010 600422459 /nfs/dbraw/zinc/42/24/59/600422459.db2.gz YBJJSKDLIUETDH-CYBMUJFWSA-N -1 3 315.369 2.854 20 10 DFCDHM Cc1cc(CN2CC[C@](F)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000832883424 601371473 /nfs/dbraw/zinc/37/14/73/601371473.db2.gz SUJWWXMIDGVFDV-QGZVFWFLSA-N -1 3 309.381 2.997 20 10 DFCDHM CCN(C)C(=O)[C@H](C)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000188496614 200256306 /nfs/dbraw/zinc/25/63/06/200256306.db2.gz JWHRHXZNKIHTGO-QMMMGPOBSA-N -1 3 305.205 2.655 20 10 DFCDHM C[C@H](NCc1cnnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287138852 299324909 /nfs/dbraw/zinc/32/49/09/299324909.db2.gz ANWDVFNDKZPBOV-ZETCQYMHSA-N -1 3 301.177 2.678 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c1[O-] ZINC000079438495 399044940 /nfs/dbraw/zinc/04/49/40/399044940.db2.gz XMWPZNRZKMGPRS-GFCCVEGCSA-N -1 3 317.364 2.837 20 10 DFCDHM C[C@@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187753370 296157787 /nfs/dbraw/zinc/15/77/87/296157787.db2.gz LPWMDAPDUCVRMK-WKFLNTIRSA-N -1 3 305.324 2.979 20 10 DFCDHM C[C@H](c1cccnc1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272323237 130021302 /nfs/dbraw/zinc/02/13/02/130021302.db2.gz UTFQXUPHNCUBNC-CQSZACIVSA-N -1 3 315.392 2.805 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCO[C@H](Cc2ccccc2)C1 ZINC000272688860 130054269 /nfs/dbraw/zinc/05/42/69/130054269.db2.gz WRULEDSVMJAHPK-MRXNPFEDSA-N -1 3 301.361 2.975 20 10 DFCDHM C[C@@H](N[C@@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273542882 130133238 /nfs/dbraw/zinc/13/32/38/130133238.db2.gz YQEGVRFCYZQLCV-BMIGLBTASA-N -1 3 320.320 2.824 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2nnc(C)s2)c1 ZINC000274197363 130215124 /nfs/dbraw/zinc/21/51/24/130215124.db2.gz KWIHILGIHZWRFX-RKDXNWHRSA-N -1 3 321.402 2.751 20 10 DFCDHM CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000284733069 131107391 /nfs/dbraw/zinc/10/73/91/131107391.db2.gz UAEZQKGGGXQONO-HLLBOEOZSA-N -1 3 309.381 2.547 20 10 DFCDHM CN(C)c1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000008698936 425672920 /nfs/dbraw/zinc/67/29/20/425672920.db2.gz XHUHSVIUFPQNJY-GOSISDBHSA-N -1 3 310.397 2.764 20 10 DFCDHM CNC(=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000133334284 426173831 /nfs/dbraw/zinc/17/38/31/426173831.db2.gz KUEGQTZIMAAURR-UHFFFAOYSA-N -1 3 317.216 2.657 20 10 DFCDHM O=C(Nc1ccc(N2CCCCC2)nc1)c1cccc(O)c1[O-] ZINC000280247536 426530183 /nfs/dbraw/zinc/53/01/83/426530183.db2.gz YRBBMDBONDUUKP-UHFFFAOYSA-N -1 3 313.357 2.735 20 10 DFCDHM C[C@H](NCC(=O)NCC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186505658 426541683 /nfs/dbraw/zinc/54/16/83/426541683.db2.gz UXCZRMJHVCKUHG-QMMMGPOBSA-N -1 3 317.216 2.876 20 10 DFCDHM C[C@@H]1OCC[C@]12CN(Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450455 426578918 /nfs/dbraw/zinc/57/89/18/426578918.db2.gz LFIJVOXVWHCBHU-WQGACYEGSA-N -1 3 311.809 2.814 20 10 DFCDHM C[C@H]1OCC[C@]12CN(Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450448 426579731 /nfs/dbraw/zinc/57/97/31/426579731.db2.gz LFIJVOXVWHCBHU-HSMVNMDESA-N -1 3 311.809 2.814 20 10 DFCDHM Cc1ccccc1OCCCN(C)C(=O)c1cccc(O)c1[O-] ZINC000186989261 426617592 /nfs/dbraw/zinc/61/75/92/426617592.db2.gz ZITDEGMRUGXRCT-UHFFFAOYSA-N -1 3 315.369 2.947 20 10 DFCDHM Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000187160972 426634411 /nfs/dbraw/zinc/63/44/11/426634411.db2.gz RMGXIURMEIYKEA-CQSZACIVSA-N -1 3 300.358 2.804 20 10 DFCDHM C[C@H](NCc1ccc(CO)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273374633 426653758 /nfs/dbraw/zinc/65/37/58/426653758.db2.gz GWPODOYMAFBNLP-JTQLQIEISA-N -1 3 320.320 2.783 20 10 DFCDHM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000187472850 426666200 /nfs/dbraw/zinc/66/62/00/426666200.db2.gz PSTKGKAWYPESAB-LRDDRELGSA-N -1 3 313.353 2.700 20 10 DFCDHM O=C(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)C1CC1 ZINC000179662400 426810351 /nfs/dbraw/zinc/81/03/51/426810351.db2.gz YMEDKCGGXWCEQM-UHFFFAOYSA-N -1 3 308.809 2.536 20 10 DFCDHM CC(=O)N(C[C@H]1CCCN1Cc1cccc(F)c1[O-])C1CC1 ZINC000275779113 426914943 /nfs/dbraw/zinc/91/49/43/426914943.db2.gz RRNGUDKMXCIERU-OAHLLOKOSA-N -1 3 306.381 2.507 20 10 DFCDHM COc1c([O-])c(CNc2cn(C)nc2C2CC2)ccc1[N+](=O)[O-] ZINC000291238279 426880966 /nfs/dbraw/zinc/88/09/66/426880966.db2.gz KXZRPSPNSKQHGC-UHFFFAOYSA-N -1 3 318.333 2.532 20 10 DFCDHM COc1cc(Cl)cc(CN2CCC(F)(F)[C@H](CO)C2)c1[O-] ZINC000291191060 426881180 /nfs/dbraw/zinc/88/11/80/426881180.db2.gz GOPQDFVLWSBUGG-JTQLQIEISA-N -1 3 321.751 2.504 20 10 DFCDHM Cc1cc(Br)cc(CN2CCn3cncc3C2)c1[O-] ZINC000291469547 426889225 /nfs/dbraw/zinc/88/92/25/426889225.db2.gz DSUPNWFOEDRROE-UHFFFAOYSA-N -1 3 322.206 2.675 20 10 DFCDHM C[C@@H](N[C@@H](C)C(=O)NCCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000282461735 426914090 /nfs/dbraw/zinc/91/40/90/426914090.db2.gz FYZSPHAVFOEEJA-SFYZADRCSA-N -1 3 323.195 2.824 20 10 DFCDHM CC(=O)NCCN(Cc1ccsc1)Cc1ccccc1[O-] ZINC000283145540 426963303 /nfs/dbraw/zinc/96/33/03/426963303.db2.gz XDDYNLLEGMQZHX-UHFFFAOYSA-N -1 3 304.415 2.592 20 10 DFCDHM CCc1nc(C)c(CN[C@@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000291899816 427019686 /nfs/dbraw/zinc/01/96/86/427019686.db2.gz LMQWKDCFKGWARS-JTQLQIEISA-N -1 3 318.373 2.888 20 10 DFCDHM CCc1nc(CNCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000295995740 427041958 /nfs/dbraw/zinc/04/19/58/427041958.db2.gz KNOMWUJJSBJZHC-UHFFFAOYSA-N -1 3 301.177 2.669 20 10 DFCDHM O=C([O-])C[C@H](NCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000277024688 427131115 /nfs/dbraw/zinc/13/11/15/427131115.db2.gz OUEDFUCMFRUFPY-AWEZNQCLSA-N -1 3 303.383 2.989 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000292921807 427205405 /nfs/dbraw/zinc/20/54/05/427205405.db2.gz BWEUDMOGLDOPHA-GOSISDBHSA-N -1 3 323.408 2.964 20 10 DFCDHM Cc1csc([C@@H](C)CNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000184725582 427527349 /nfs/dbraw/zinc/52/73/49/427527349.db2.gz XPSZWCYFPWABET-VIFPVBQESA-N -1 3 306.387 2.705 20 10 DFCDHM CC[C@@H](N[C@@H]1CCCn2nc(COC)nc21)c1ccccc1[O-] ZINC000185213951 427613927 /nfs/dbraw/zinc/61/39/27/427613927.db2.gz JMSIOXGRLOTETO-ZIAGYGMSSA-N -1 3 316.405 2.706 20 10 DFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(O)c1[O-] ZINC000192985331 427647428 /nfs/dbraw/zinc/64/74/28/427647428.db2.gz RLXVJVILIDHNKP-UHFFFAOYSA-N -1 3 312.369 2.628 20 10 DFCDHM CC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294931287 427665925 /nfs/dbraw/zinc/66/59/25/427665925.db2.gz OVZLQQAEANYHKV-NSHDSACASA-N -1 3 314.788 2.533 20 10 DFCDHM CC(C)(C)n1ncnc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294821228 427659203 /nfs/dbraw/zinc/65/92/03/427659203.db2.gz XOAIIIPBMWUVBB-UHFFFAOYSA-N -1 3 312.776 2.821 20 10 DFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2ccsc2)O1 ZINC000193133640 427672469 /nfs/dbraw/zinc/67/24/69/427672469.db2.gz BJWUMNFYQFJEDO-QMTHXVAHSA-N -1 3 319.382 2.762 20 10 DFCDHM C[C@@H](NCC(=O)NCC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193272689 427680018 /nfs/dbraw/zinc/68/00/18/427680018.db2.gz VFXYJEXNWKHWCD-MRVPVSSYSA-N -1 3 317.216 2.876 20 10 DFCDHM COCC[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)o1 ZINC000279828582 427717871 /nfs/dbraw/zinc/71/78/71/427717871.db2.gz MZLMLFDWNCNPMU-GFCCVEGCSA-N -1 3 305.330 2.507 20 10 DFCDHM CCn1cnnc1C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000371535474 428394755 /nfs/dbraw/zinc/39/47/55/428394755.db2.gz RDGDXUDEFFZLHB-UHFFFAOYSA-N -1 3 304.369 2.522 20 10 DFCDHM C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000373830295 428650456 /nfs/dbraw/zinc/65/04/56/428650456.db2.gz XQSDAYDNLGFXQB-ZBEGNZNMSA-N -1 3 313.353 2.562 20 10 DFCDHM O=C1CCCCN1[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000374908173 428784115 /nfs/dbraw/zinc/78/41/15/428784115.db2.gz GVJQXUFTTQXFRW-AWEZNQCLSA-N -1 3 306.381 2.508 20 10 DFCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000366467223 429458728 /nfs/dbraw/zinc/45/87/28/429458728.db2.gz RDBDIUHBLLDEOX-MLGOLLRUSA-N -1 3 311.809 2.816 20 10 DFCDHM O=C(C=Cc1cncc([O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000492622805 429581420 /nfs/dbraw/zinc/58/14/20/429581420.db2.gz YBAYCVNVEXZJKZ-LLPBQKLSSA-N -1 3 320.348 2.907 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1COc2ccccc2[C@H]1O ZINC000367287502 429613462 /nfs/dbraw/zinc/61/34/62/429613462.db2.gz QRHRMMJEIWXTFE-BLLLJJGKSA-N -1 3 323.751 2.769 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1COc2ccccc2[C@H]1O ZINC000367287504 429613799 /nfs/dbraw/zinc/61/37/99/429613799.db2.gz QRHRMMJEIWXTFE-MLGOLLRUSA-N -1 3 323.751 2.769 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000528277251 429869572 /nfs/dbraw/zinc/86/95/72/429869572.db2.gz PGWPXKFDIWCBHF-PUXPGTEJSA-N -1 3 312.797 2.657 20 10 DFCDHM Cc1nc([C@@H]2COCCN2Cc2cc(Cl)cc(C)c2[O-])no1 ZINC000369472526 429952342 /nfs/dbraw/zinc/95/23/42/429952342.db2.gz SXXMQJMICLNZMN-ZDUSSCGKSA-N -1 3 323.780 2.619 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529500378 430015575 /nfs/dbraw/zinc/01/55/75/430015575.db2.gz FZABBCYFJBCSOR-ZAZJYDDPSA-N -1 3 314.385 2.616 20 10 DFCDHM CNC(=O)OC[C@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000290251508 277006224 /nfs/dbraw/zinc/00/62/24/277006224.db2.gz VUOYDNXUYLDWKP-GFCCVEGCSA-N -1 3 312.797 2.756 20 10 DFCDHM C[C@H](N[C@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273542890 290036998 /nfs/dbraw/zinc/03/69/98/290036998.db2.gz YQEGVRFCYZQLCV-ZUZCIYMTSA-N -1 3 320.320 2.824 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@]2(CCCOC2)O1 ZINC000366463085 297031871 /nfs/dbraw/zinc/03/18/71/297031871.db2.gz NVATURXSMPEAHV-WBMJQRKESA-N -1 3 311.809 2.816 20 10 DFCDHM CC[C@H](N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1[O-] ZINC000363753937 332240030 /nfs/dbraw/zinc/24/00/30/332240030.db2.gz VYFFXLSJVHBGGO-LSDHHAIUSA-N -1 3 317.410 2.962 20 10 DFCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])C(=O)NCc1ccccc1 ZINC000185184006 333205309 /nfs/dbraw/zinc/20/53/09/333205309.db2.gz WBFXDVZQHPZIHJ-CHWSQXEVSA-N -1 3 316.376 2.887 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC3(C2)CCOCC3)c1[O-] ZINC000318753949 333207139 /nfs/dbraw/zinc/20/71/39/333207139.db2.gz BCYOHJZTLGSZRB-UHFFFAOYSA-N -1 3 307.365 2.736 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC(Cn2cncn2)CC1 ZINC000189977800 333265990 /nfs/dbraw/zinc/26/59/90/333265990.db2.gz SEPYVWGUUUEGGO-UHFFFAOYSA-N -1 3 306.797 2.549 20 10 DFCDHM Cn1nnnc1-c1cccc(NCc2cc(Cl)ccc2[O-])c1 ZINC000121724197 333387928 /nfs/dbraw/zinc/38/79/28/333387928.db2.gz VSXRRMOKAWTAIA-UHFFFAOYSA-N -1 3 315.764 2.848 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000272267510 334032357 /nfs/dbraw/zinc/03/23/57/334032357.db2.gz KVYVWGJOTXSSAW-UHFFFAOYSA-N -1 3 316.376 2.555 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2c(C)noc2C)c1 ZINC000273409093 334046306 /nfs/dbraw/zinc/04/63/06/334046306.db2.gz PGCZGHLLKSEGCZ-VIFPVBQESA-N -1 3 304.346 2.634 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCN([C@H]2CCSC2)CC1 ZINC000367535152 336824512 /nfs/dbraw/zinc/82/45/12/336824512.db2.gz DQLMSDCMXORBAA-AWEZNQCLSA-N -1 3 312.866 2.669 20 10 DFCDHM COc1cc(Cl)cc(CN2CCn3c(C)c(C)nc3C2)c1[O-] ZINC000368627404 336849602 /nfs/dbraw/zinc/84/96/02/336849602.db2.gz WWEIYRYEXLZRLM-UHFFFAOYSA-N -1 3 321.808 2.883 20 10 DFCDHM O=S1(=O)C[C@@H](NCc2c([O-])cccc2Cl)c2ccccc21 ZINC000370354608 336882940 /nfs/dbraw/zinc/88/29/40/336882940.db2.gz FKXRJLMPXQKFJA-CYBMUJFWSA-N -1 3 323.801 2.664 20 10 DFCDHM O=C1OCCC12CCN(Cc1c([O-])ccc(Cl)c1F)CC2 ZINC000375462881 337011692 /nfs/dbraw/zinc/01/16/92/337011692.db2.gz VDQLYZBQUNNDKU-UHFFFAOYSA-N -1 3 313.756 2.714 20 10 DFCDHM CC[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000376441109 337033468 /nfs/dbraw/zinc/03/34/68/337033468.db2.gz ITPTZICYBITODZ-RHSMWYFYSA-N -1 3 309.381 2.691 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3CCN(C)[C@H]3C2)c1[O-] ZINC000376495425 337035036 /nfs/dbraw/zinc/03/50/36/337035036.db2.gz OBMLEVQSVGNFTO-LRDDRELGSA-N -1 3 322.836 2.774 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC3(CCO3)CC2)c1[O-] ZINC000376739871 337040236 /nfs/dbraw/zinc/04/02/36/337040236.db2.gz NJTFVFNVPUVBFB-UHFFFAOYSA-N -1 3 312.753 2.709 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@@H]1c1noc(C)n1 ZINC000377548085 337054946 /nfs/dbraw/zinc/05/49/46/337054946.db2.gz FKDOVVRAHFNTLP-ZIAGYGMSSA-N -1 3 303.362 2.608 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCc2ccccc2[C@@H]1C(N)=O ZINC000377659822 337057853 /nfs/dbraw/zinc/05/78/53/337057853.db2.gz QQUQRDHFYXLCFA-FUHWJXTLSA-N -1 3 310.397 2.928 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000377690017 337058453 /nfs/dbraw/zinc/05/84/53/337058453.db2.gz FYMDMRXHLYIWQZ-GJZGRUSLSA-N -1 3 311.809 2.734 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2nccn2C)c1[O-] ZINC000378463612 337073464 /nfs/dbraw/zinc/07/34/64/337073464.db2.gz RHOGWYDWRMROBY-OAHLLOKOSA-N -1 3 317.364 2.805 20 10 DFCDHM C[C@@H](N[C@H](C)c1cc(F)ccc1[O-])c1nnc2n1CCCC2 ZINC000185586451 337249289 /nfs/dbraw/zinc/24/92/89/337249289.db2.gz FDLIGPSMTVMHRK-GHMZBOCLSA-N -1 3 304.369 2.871 20 10 DFCDHM COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(C)cc1[O-] ZINC000185775709 337251211 /nfs/dbraw/zinc/25/12/11/337251211.db2.gz BOCNWAHSKZLNBY-JSGCOSHPSA-N -1 3 316.405 2.624 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(n2cncn2)CC1 ZINC000191284704 337295418 /nfs/dbraw/zinc/29/54/18/337295418.db2.gz JXKAYIHIWIQGBT-UHFFFAOYSA-N -1 3 310.760 2.613 20 10 DFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1-n1cccn1 ZINC000193133746 337309785 /nfs/dbraw/zinc/30/97/85/337309785.db2.gz NYTUSLMTNZOCQP-GFCCVEGCSA-N -1 3 323.352 2.775 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000528277243 337799489 /nfs/dbraw/zinc/79/94/89/337799489.db2.gz PGWPXKFDIWCBHF-LFNDISMMSA-N -1 3 312.797 2.657 20 10 DFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(O)c1[O-] ZINC000188302503 521319661 /nfs/dbraw/zinc/31/96/61/521319661.db2.gz OSLANHSWGQMAIC-UHFFFAOYSA-N -1 3 314.385 2.826 20 10 DFCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H]1CCCO1 ZINC000128024262 523172715 /nfs/dbraw/zinc/17/27/15/523172715.db2.gz NZQPEYFBKVSUKK-LLVKDONJSA-N -1 3 300.742 2.565 20 10 DFCDHM CCn1cc(CNCc2cccc(Br)c2[O-])cn1 ZINC000265473323 523383150 /nfs/dbraw/zinc/38/31/50/523383150.db2.gz JLYIIFYPKMIMNX-UHFFFAOYSA-N -1 3 310.195 2.661 20 10 DFCDHM C[C@]1(O)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000129397321 525306758 /nfs/dbraw/zinc/30/67/58/525306758.db2.gz ZEJMZTXZZMZRPK-ZDUSSCGKSA-N -1 3 300.196 2.502 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c([O-])c1O ZINC000182600632 526195336 /nfs/dbraw/zinc/19/53/36/526195336.db2.gz BMBXEQNFLDQXDC-SWLSCSKDSA-N -1 3 315.369 2.648 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H]2CCC[C@H]21 ZINC000228144189 526340929 /nfs/dbraw/zinc/34/09/29/526340929.db2.gz LKTRRJPJIPJKPK-OCCSQVGLSA-N -1 3 312.207 2.908 20 10 DFCDHM Cc1csc([C@H]2COCCN2Cc2cc(F)ccc2[O-])n1 ZINC000190404605 526446382 /nfs/dbraw/zinc/44/63/82/526446382.db2.gz IMGAOBXBIAWTTK-CYBMUJFWSA-N -1 3 308.378 2.870 20 10 DFCDHM Cn1cc([C@H]2CN(Cc3c([O-])ccc4ccccc43)CCO2)cn1 ZINC000267599312 527320834 /nfs/dbraw/zinc/32/08/34/527320834.db2.gz MNNJVQYGWRYOSF-LJQANCHMSA-N -1 3 323.396 2.852 20 10 DFCDHM Cc1cc(O)c(CN(C)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826271515 607847295 /nfs/dbraw/zinc/84/72/95/607847295.db2.gz VNKXTZAGXZSTOM-UHFFFAOYSA-N -1 3 309.373 2.826 20 10 DFCDHM CN(C)c1ccc(CNc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000821589351 599464464 /nfs/dbraw/zinc/46/44/64/599464464.db2.gz KKGWIIQYMLCGJG-UHFFFAOYSA-N -1 3 312.352 2.684 20 10 DFCDHM CN(C)c1ccc(CNc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000821589351 599464465 /nfs/dbraw/zinc/46/44/65/599464465.db2.gz KKGWIIQYMLCGJG-UHFFFAOYSA-N -1 3 312.352 2.684 20 10 DFCDHM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000739501203 600433514 /nfs/dbraw/zinc/43/35/14/600433514.db2.gz UIFFCVNGJQDUQO-INIZCTEOSA-N -1 3 301.317 2.676 20 10 DFCDHM COc1ccc(O)c([C@H](C)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733966 605127878 /nfs/dbraw/zinc/12/78/78/605127878.db2.gz XAAHWXQETZYBIX-JTQLQIEISA-N -1 3 305.330 2.851 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110651 605563068 /nfs/dbraw/zinc/56/30/68/605563068.db2.gz XLWCDPOPWQFRTR-WFASDCNBSA-N -1 3 322.380 2.886 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110651 605563069 /nfs/dbraw/zinc/56/30/69/605563069.db2.gz XLWCDPOPWQFRTR-WFASDCNBSA-N -1 3 322.380 2.886 20 10 DFCDHM Oc1ccccc1CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826511322 608376902 /nfs/dbraw/zinc/37/69/02/608376902.db2.gz KTUVAMUONBPAST-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM Oc1ccccc1CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826511322 608376905 /nfs/dbraw/zinc/37/69/05/608376905.db2.gz KTUVAMUONBPAST-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM COc1cccc(CNc2cccc(-c3nnn[n-]3)c2C)c1O ZINC000826216097 609485998 /nfs/dbraw/zinc/48/59/98/609485998.db2.gz KOOIFIUOVOCXRO-UHFFFAOYSA-N -1 3 311.345 2.501 20 10 DFCDHM COc1cccc(CNc2cccc(-c3nn[n-]n3)c2C)c1O ZINC000826216097 609486000 /nfs/dbraw/zinc/48/60/00/609486000.db2.gz KOOIFIUOVOCXRO-UHFFFAOYSA-N -1 3 311.345 2.501 20 10 DFCDHM Cc1c(NCc2ccc(N(C)C)cc2)cccc1-c1nnn[n-]1 ZINC000826242324 609486078 /nfs/dbraw/zinc/48/60/78/609486078.db2.gz KFMPUIXOAKBQBS-UHFFFAOYSA-N -1 3 308.389 2.853 20 10 DFCDHM Cc1c(NCc2ccc(N(C)C)cc2)cccc1-c1nn[n-]n1 ZINC000826242324 609486079 /nfs/dbraw/zinc/48/60/79/609486079.db2.gz KFMPUIXOAKBQBS-UHFFFAOYSA-N -1 3 308.389 2.853 20 10 DFCDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(O)c1[O-] ZINC000266246799 283309315 /nfs/dbraw/zinc/30/93/15/283309315.db2.gz ZAPOGAPSBJSKDL-HNNXBMFYSA-N -1 3 304.390 2.641 20 10 DFCDHM COC(=O)CN(Cc1cc(Br)ccc1[O-])C(C)C ZINC000093286867 193224438 /nfs/dbraw/zinc/22/44/38/193224438.db2.gz CCRLPFVRCVMTFU-UHFFFAOYSA-N -1 3 316.195 2.538 20 10 DFCDHM C[C@@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187753404 296166274 /nfs/dbraw/zinc/16/62/74/296166274.db2.gz LPWMDAPDUCVRMK-OELKAKTESA-N -1 3 305.324 2.979 20 10 DFCDHM Cc1csc(N2CCN(Cc3cccc(F)c3[O-])CC2)n1 ZINC000272228864 130011026 /nfs/dbraw/zinc/01/10/26/130011026.db2.gz DHSYWKLJBYQARY-UHFFFAOYSA-N -1 3 307.394 2.618 20 10 DFCDHM COCC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(C)o1 ZINC000273002663 130081286 /nfs/dbraw/zinc/08/12/86/130081286.db2.gz OTKDAXRQRNOHFS-CYBMUJFWSA-N -1 3 319.357 2.815 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2cn(C)nc2C)c1 ZINC000273607274 130144196 /nfs/dbraw/zinc/14/41/96/130144196.db2.gz UNUMNRHYCVBRSF-MNOVXSKESA-N -1 3 317.389 2.633 20 10 DFCDHM CC[C@H](N[C@@H](C)C(=O)NCCF)c1cccc(Cl)c1[O-] ZINC000287096280 131264021 /nfs/dbraw/zinc/26/40/21/131264021.db2.gz PTKTZEAXJWVAST-CABZTGNLSA-N -1 3 302.777 2.561 20 10 DFCDHM C[C@@H](NCc1cnnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000287520337 131285146 /nfs/dbraw/zinc/28/51/46/131285146.db2.gz ZQPFMRBWMBTRPY-SSDOTTSWSA-N -1 3 301.177 2.678 20 10 DFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@H]1OCCc2sccc21 ZINC000294651702 131850795 /nfs/dbraw/zinc/85/07/95/131850795.db2.gz NAFJFADYPSUFQY-BJOHPYRUSA-N -1 3 319.382 2.592 20 10 DFCDHM C[C@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1[O-] ZINC000109769208 426033386 /nfs/dbraw/zinc/03/33/86/426033386.db2.gz BUKYYFTYEDAKCK-GFCCVEGCSA-N -1 3 304.415 2.590 20 10 DFCDHM COC(=O)CN(Cc1cc(C)no1)Cc1cc(Cl)ccc1[O-] ZINC000171938188 426220233 /nfs/dbraw/zinc/22/02/33/426220233.db2.gz UZTZPQKWIIRXQV-UHFFFAOYSA-N -1 3 324.764 2.517 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])[C@@H](C)C(=O)OC ZINC000174424190 426256404 /nfs/dbraw/zinc/25/64/04/426256404.db2.gz DWHSFAPQHRKZJU-VIFPVBQESA-N -1 3 316.195 2.538 20 10 DFCDHM CN(Cc1cnn(C)c1)Cc1cc(Br)ccc1[O-] ZINC000119659794 426301321 /nfs/dbraw/zinc/30/13/21/426301321.db2.gz NGJOBDBJHVUKKQ-UHFFFAOYSA-N -1 3 310.195 2.520 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCCN(c2cccnn2)CC1 ZINC000093150291 426354275 /nfs/dbraw/zinc/35/42/75/426354275.db2.gz FGJNBPPPDBAPNZ-UHFFFAOYSA-N -1 3 318.808 2.548 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCOCC12CCC2 ZINC000093509745 426357049 /nfs/dbraw/zinc/35/70/49/426357049.db2.gz XGIXHXFAVRCGNO-UHFFFAOYSA-N -1 3 312.207 2.910 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN(C)CCn2cccn2)c1[O-] ZINC000177160179 426448907 /nfs/dbraw/zinc/44/89/07/426448907.db2.gz XMJAKTAUTXDDPC-UHFFFAOYSA-N -1 3 307.781 2.577 20 10 DFCDHM CC1(C)CN(Cc2c([O-])cccc2Cl)C[C@@]2(CCOC2)O1 ZINC000280186912 426517491 /nfs/dbraw/zinc/51/74/91/426517491.db2.gz HCMKSQUANVZCSD-MRXNPFEDSA-N -1 3 311.809 2.816 20 10 DFCDHM C[C@H]1C[C@@H](CO)CCN1Cc1cc(Br)ccc1[O-] ZINC000290182004 426711220 /nfs/dbraw/zinc/71/12/20/426711220.db2.gz NWSGGIJPZGWZIV-QWRGUYRKSA-N -1 3 314.223 2.748 20 10 DFCDHM [O-]c1c(F)cccc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281890932 426786192 /nfs/dbraw/zinc/78/61/92/426786192.db2.gz YDBPLRWQUKSUHU-GDBMZVCRSA-N -1 3 305.324 2.978 20 10 DFCDHM CC(C)c1nnc([C@H]2COCCN2Cc2cc(F)ccc2[O-])o1 ZINC000282985002 426933445 /nfs/dbraw/zinc/93/34/45/426933445.db2.gz JQZPVICYBFEYJT-CYBMUJFWSA-N -1 3 321.352 2.611 20 10 DFCDHM CCC[C@@H]1C[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277678172 427284564 /nfs/dbraw/zinc/28/45/64/427284564.db2.gz OLHSBPIBBPIXKB-MFKMUULPSA-N -1 3 322.792 2.998 20 10 DFCDHM C[C@@H]1CCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277643493 427271379 /nfs/dbraw/zinc/27/13/79/427271379.db2.gz DOXZLAGHRXSDAE-ZWNOBZJWSA-N -1 3 322.792 2.998 20 10 DFCDHM CCCc1nc(C)c(CNC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000293654822 427395707 /nfs/dbraw/zinc/39/57/07/427395707.db2.gz HHINJBJRHRZDBT-UHFFFAOYSA-N -1 3 304.346 2.585 20 10 DFCDHM Cn1cc([C@@]2(C)CN(Cc3c([O-])cccc3Cl)CCO2)cn1 ZINC000271265112 427474054 /nfs/dbraw/zinc/47/40/54/427474054.db2.gz IBOZMNGHECILOY-MRXNPFEDSA-N -1 3 321.808 2.527 20 10 DFCDHM COc1c([O-])c(CN2CCS[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278166035 427423950 /nfs/dbraw/zinc/42/39/50/427423950.db2.gz FEXZGDJMBXNNAX-VHSXEESVSA-N -1 3 312.391 2.635 20 10 DFCDHM COc1c([O-])c(CN2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000278240856 427428050 /nfs/dbraw/zinc/42/80/50/427428050.db2.gz NXAGWMMSGKMAGV-UHFFFAOYSA-N -1 3 320.370 2.929 20 10 DFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000278673848 427445022 /nfs/dbraw/zinc/44/50/22/427445022.db2.gz LICCEYKXYJFTME-UHFFFAOYSA-N -1 3 320.414 2.821 20 10 DFCDHM COCCN(Cc1cc(Cl)cc(OC)c1[O-])CC(F)F ZINC000184687308 427517145 /nfs/dbraw/zinc/51/71/45/427517145.db2.gz YTLDXQJAMGVIHB-UHFFFAOYSA-N -1 3 309.740 2.768 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000271441595 427537131 /nfs/dbraw/zinc/53/71/31/427537131.db2.gz RZOUJMIADILHMD-ZBFHGGJFSA-N -1 3 319.426 2.778 20 10 DFCDHM CC(C)NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184896200 427559895 /nfs/dbraw/zinc/55/98/95/427559895.db2.gz BCRDVHBXTXVHFH-QMMMGPOBSA-N -1 3 305.205 2.874 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271743525 427583288 /nfs/dbraw/zinc/58/32/88/427583288.db2.gz RVAOXNHXNOCTCY-JQWIXIFHSA-N -1 3 309.715 2.933 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000271743527 427583699 /nfs/dbraw/zinc/58/36/99/427583699.db2.gz RVAOXNHXNOCTCY-ZYHUDNBSSA-N -1 3 309.715 2.933 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@]2(C)CCCO)c1[O-] ZINC000271884577 427593132 /nfs/dbraw/zinc/59/31/32/427593132.db2.gz AIIYJGXCEUJOPC-QGZVFWFLSA-N -1 3 309.381 2.861 20 10 DFCDHM [O-]c1ccc(F)cc1CNc1ccccc1CN1CCOCC1 ZINC000294723763 427649625 /nfs/dbraw/zinc/64/96/25/427649625.db2.gz IIEBHXIJFQFYFY-UHFFFAOYSA-N -1 3 316.376 2.976 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000295044792 427671467 /nfs/dbraw/zinc/67/14/67/427671467.db2.gz YQCSHXXSZUQUHO-NSHDSACASA-N -1 3 324.787 2.688 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000371417537 428390178 /nfs/dbraw/zinc/39/01/78/428390178.db2.gz LBZCQLZZDISOMQ-OAHLLOKOSA-N -1 3 322.836 2.845 20 10 DFCDHM C[C@@H]1COCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000376582680 429142459 /nfs/dbraw/zinc/14/24/59/429142459.db2.gz VHLYZJJCUYFNDK-JTQLQIEISA-N -1 3 300.196 2.623 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC([C@H]3CCOC3)CC2)c1[O-] ZINC000364663509 429245624 /nfs/dbraw/zinc/24/56/24/429245624.db2.gz VYDOKPSFAMLUTC-AWEZNQCLSA-N -1 3 321.392 2.982 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@H](c2nncn2CC)C1 ZINC000365524455 429335549 /nfs/dbraw/zinc/33/55/49/429335549.db2.gz ANBZNZZTVALIOT-HOCLYGCPSA-N -1 3 316.405 2.528 20 10 DFCDHM Cc1nc(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n[nH]1 ZINC000365268532 429290390 /nfs/dbraw/zinc/29/03/90/429290390.db2.gz YQNIMWQJVZXMCK-UHFFFAOYSA-N -1 3 324.787 2.991 20 10 DFCDHM Cc1n[nH]c(C2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)n1 ZINC000365268532 429290393 /nfs/dbraw/zinc/29/03/93/429290393.db2.gz YQNIMWQJVZXMCK-UHFFFAOYSA-N -1 3 324.787 2.991 20 10 DFCDHM O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000365759483 429367629 /nfs/dbraw/zinc/36/76/29/429367629.db2.gz TUWVSNOPFQJZDS-BBRMVZONSA-N -1 3 313.353 2.605 20 10 DFCDHM O=C(NC1CCN(Cc2cc(Cl)ccc2[O-])CC1)C1CCC1 ZINC000367421363 429644357 /nfs/dbraw/zinc/64/43/57/429644357.db2.gz AVCQDYMOGZPSRH-UHFFFAOYSA-N -1 3 322.836 2.926 20 10 DFCDHM CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](O)C(F)(F)F ZINC000273452900 288061083 /nfs/dbraw/zinc/06/10/83/288061083.db2.gz GNHLVISKZDPCOM-VIRWGQHYSA-N -1 3 322.283 2.653 20 10 DFCDHM CC[C@@H](NCc1cc(Cl)c(F)cc1[O-])[C@H](O)C(F)(F)F ZINC000293520552 335111260 /nfs/dbraw/zinc/11/12/60/335111260.db2.gz CYXLMOUNKVQCBG-KOLCDFICSA-N -1 3 315.694 2.976 20 10 DFCDHM Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000179505568 333151550 /nfs/dbraw/zinc/15/15/50/333151550.db2.gz TVLMZNDFTGPGIA-CYBMUJFWSA-N -1 3 317.341 2.521 20 10 DFCDHM COC[C@@]1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295177939 335130687 /nfs/dbraw/zinc/13/06/87/335130687.db2.gz VHFLKRNPSQIXHQ-AWEZNQCLSA-N -1 3 314.769 2.812 20 10 DFCDHM COC(=O)[C@@]1(C)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295440672 335134874 /nfs/dbraw/zinc/13/48/74/335134874.db2.gz UNPJUSAOAKHDBY-AWEZNQCLSA-N -1 3 301.745 2.570 20 10 DFCDHM CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272273964 334032671 /nfs/dbraw/zinc/03/26/71/334032671.db2.gz LTSMFZKHPVXAGV-ZDUSSCGKSA-N -1 3 324.396 2.973 20 10 DFCDHM COc1c([O-])c(CN(C)[C@@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000278515941 334097381 /nfs/dbraw/zinc/09/73/81/334097381.db2.gz QSQPTNDEAFBCSX-NSHDSACASA-N -1 3 317.345 2.897 20 10 DFCDHM [O-]c1cccc(Cl)c1CN[C@H]1COc2ccccc2[C@@H]1O ZINC000367282083 336598193 /nfs/dbraw/zinc/59/81/93/336598193.db2.gz GNIANHXQRTXZJT-BBRMVZONSA-N -1 3 305.761 2.630 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@@H]1c1nc(C)no1 ZINC000368029119 336835622 /nfs/dbraw/zinc/83/56/22/336835622.db2.gz HTXJOSMQFYQCOI-ZIAGYGMSSA-N -1 3 303.362 2.608 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000374435589 336989291 /nfs/dbraw/zinc/98/92/91/336989291.db2.gz QRMRJPLIWRFDTE-KRWDZBQOSA-N -1 3 319.307 2.948 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)c([O-])c1O ZINC000376840166 337042523 /nfs/dbraw/zinc/04/25/23/337042523.db2.gz CBBAXTMTCXBMSI-KGLIPLIRSA-N -1 3 319.401 2.685 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000377690019 337058558 /nfs/dbraw/zinc/05/85/58/337058558.db2.gz FYMDMRXHLYIWQZ-HUUCEWRRSA-N -1 3 311.809 2.734 20 10 DFCDHM CN1Cc2ccccc2[C@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000378266344 337069097 /nfs/dbraw/zinc/06/90/97/337069097.db2.gz ALOIZFULSPUJDO-MRXNPFEDSA-N -1 3 313.357 2.577 20 10 DFCDHM CC(C)Cn1cnnc1[C@H]1CCCN1Cc1ccccc1[O-] ZINC000360042935 337084350 /nfs/dbraw/zinc/08/43/50/337084350.db2.gz ZITDZIRLKYOBBD-OAHLLOKOSA-N -1 3 300.406 2.977 20 10 DFCDHM Cc1ccc(C(=O)Nc2cccc(-c3ncon3)c2)c([O-])c1O ZINC000182286273 337187901 /nfs/dbraw/zinc/18/79/01/337187901.db2.gz HILLKACOMOHIML-UHFFFAOYSA-N -1 3 311.297 2.709 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)c([O-])c1O ZINC000182903243 337190641 /nfs/dbraw/zinc/19/06/41/337190641.db2.gz BSNCDDDHXCJARZ-SMDDNHRTSA-N -1 3 313.353 2.701 20 10 DFCDHM Cc1nc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)no1 ZINC000188290791 337272581 /nfs/dbraw/zinc/27/25/81/337272581.db2.gz DEPDKRQJVKLDHW-UHFFFAOYSA-N -1 3 311.297 2.709 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](n2cncn2)C1 ZINC000191328107 337296067 /nfs/dbraw/zinc/29/60/67/337296067.db2.gz ZCLMZTOXSKUIMX-JTQLQIEISA-N -1 3 310.760 2.613 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](Cn2ccnn2)C1 ZINC000191449955 337297054 /nfs/dbraw/zinc/29/70/54/337297054.db2.gz VOWCVBZVEWPOQA-NSHDSACASA-N -1 3 324.787 2.688 20 10 DFCDHM CCOc1ccc(NC(=O)CN(C)Cc2ccccc2[O-])cc1 ZINC000264726803 521058383 /nfs/dbraw/zinc/05/83/83/521058383.db2.gz QIFMAMJKJAMPAA-UHFFFAOYSA-N -1 3 314.385 2.861 20 10 DFCDHM CC[C@@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000132012705 523449881 /nfs/dbraw/zinc/44/98/81/523449881.db2.gz DBUROQUWNFPALN-GFCCVEGCSA-N -1 3 300.196 2.766 20 10 DFCDHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1cc(F)ccc1[O-] ZINC000180285009 523492089 /nfs/dbraw/zinc/49/20/89/523492089.db2.gz MENQGAWWTZIMGS-UHFFFAOYSA-N -1 3 317.286 2.916 20 10 DFCDHM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000189434269 523829118 /nfs/dbraw/zinc/82/91/18/523829118.db2.gz RRIOYKFGRLYMGN-UHFFFAOYSA-N -1 3 319.382 2.690 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c([O-])c1O ZINC000182832121 526193922 /nfs/dbraw/zinc/19/39/22/526193922.db2.gz NRXONPWCXSETPM-LBPRGKRZSA-N -1 3 315.369 2.863 20 10 DFCDHM Cc1csc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)n1 ZINC000180035061 526424065 /nfs/dbraw/zinc/42/40/65/526424065.db2.gz CQZALPOQEJJBNT-AWEZNQCLSA-N -1 3 308.378 2.870 20 10 DFCDHM Cc1nc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)cs1 ZINC000179899492 526865816 /nfs/dbraw/zinc/86/58/16/526865816.db2.gz SUDHPJKGXNRWRU-UHFFFAOYSA-N -1 3 321.421 2.614 20 10 DFCDHM O=C([O-])CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000181537352 527582360 /nfs/dbraw/zinc/58/23/60/527582360.db2.gz AMEAWAQEOWEBPJ-OAHLLOKOSA-N -1 3 307.390 2.628 20 10 DFCDHM O=C([O-])CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000181537352 527582363 /nfs/dbraw/zinc/58/23/63/527582363.db2.gz AMEAWAQEOWEBPJ-OAHLLOKOSA-N -1 3 307.390 2.628 20 10 DFCDHM COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)[O-])c(C)o2)c1 ZINC000833733631 605126913 /nfs/dbraw/zinc/12/69/13/605126913.db2.gz LXRGFEVLGINCAK-SECBINFHSA-N -1 3 305.330 2.851 20 10 DFCDHM COc1ccc(O)c([C@@H](C)NCc2cc(C(=O)[O-])oc2C)c1 ZINC000833733221 605127186 /nfs/dbraw/zinc/12/71/86/605127186.db2.gz CXMXEOMJOYPZSY-SECBINFHSA-N -1 3 305.330 2.851 20 10 DFCDHM C[C@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000833811442 605595551 /nfs/dbraw/zinc/59/55/51/605595551.db2.gz CNYBBFDURGUTBR-JSGCOSHPSA-N -1 3 323.412 2.760 20 10 DFCDHM C[C@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000833811441 605595648 /nfs/dbraw/zinc/59/56/48/605595648.db2.gz CNYBBFDURGUTBR-GXTWGEPZSA-N -1 3 323.412 2.760 20 10 DFCDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(N(C)C)cc2C)n1 ZINC000826276446 608288600 /nfs/dbraw/zinc/28/86/00/608288600.db2.gz HCDVUIRNXAIAQY-UHFFFAOYSA-N -1 3 323.404 2.557 20 10 DFCDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(N(C)C)cc2C)n1 ZINC000826276446 608288601 /nfs/dbraw/zinc/28/86/01/608288601.db2.gz HCDVUIRNXAIAQY-UHFFFAOYSA-N -1 3 323.404 2.557 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])c1ncccn1 ZINC000089602647 398459419 /nfs/dbraw/zinc/45/94/19/398459419.db2.gz CKNZHRJPZXAOHJ-UHFFFAOYSA-N -1 3 308.179 2.971 20 10 DFCDHM CCN(C)C(=O)[C@@H](C)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000188496597 200255892 /nfs/dbraw/zinc/25/58/92/200255892.db2.gz JWHRHXZNKIHTGO-MRVPVSSYSA-N -1 3 305.205 2.655 20 10 DFCDHM CO[C@H]1CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000091772178 193104506 /nfs/dbraw/zinc/10/45/06/193104506.db2.gz JABOFDPUTOCIGY-LBPRGKRZSA-N -1 3 300.196 2.766 20 10 DFCDHM C[C@@H](O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092969737 193190412 /nfs/dbraw/zinc/19/04/12/193190412.db2.gz HPHZOHWJBVSLBW-SECBINFHSA-N -1 3 314.769 2.547 20 10 DFCDHM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272309005 130018395 /nfs/dbraw/zinc/01/83/95/130018395.db2.gz RGQFVBHKYIGOCW-OAQYLSRUSA-N -1 3 307.390 2.901 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2nc(C)cs2)c1 ZINC000273297596 130103288 /nfs/dbraw/zinc/10/32/88/130103288.db2.gz ANCQDYDVMFECEE-JTQLQIEISA-N -1 3 306.387 2.795 20 10 DFCDHM C[C@@H](NCc1cccc(CO)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615753 130145457 /nfs/dbraw/zinc/14/54/57/130145457.db2.gz XHPFFJYTBJRNAA-LLVKDONJSA-N -1 3 302.330 2.644 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CCO)c2ccco2)c1 ZINC000274459826 130237623 /nfs/dbraw/zinc/23/76/23/130237623.db2.gz NYIKWJWXUYAGAY-RISCZKNCSA-N -1 3 319.357 2.546 20 10 DFCDHM C[C@H]1OCCN(Cc2ccccc2[O-])[C@@H]1c1nc(C2CC2)no1 ZINC000284756305 131109484 /nfs/dbraw/zinc/10/94/84/131109484.db2.gz ZKQPBCZWJAQEGG-ABAIWWIYSA-N -1 3 315.373 2.615 20 10 DFCDHM COc1ccc([C@H](CN(C)C)NCc2cccc(F)c2[O-])cc1 ZINC000284964438 131126398 /nfs/dbraw/zinc/12/63/98/131126398.db2.gz IBPHIKFONMHLOI-KRWDZBQOSA-N -1 3 318.392 2.932 20 10 DFCDHM COC(=O)CN(CCCCF)Cc1cc(Cl)ccc1[O-] ZINC000285116101 131139525 /nfs/dbraw/zinc/13/95/25/131139525.db2.gz AEICFQZBIQKTHQ-UHFFFAOYSA-N -1 3 303.761 2.770 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289529625 131394039 /nfs/dbraw/zinc/39/40/39/131394039.db2.gz HPDNMPWTTFCLKW-CYBMUJFWSA-N -1 3 307.287 2.811 20 10 DFCDHM CO[C@H]1COC[C@@H]1N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000289587321 131399310 /nfs/dbraw/zinc/39/93/10/131399310.db2.gz ATFBHDKAHXNFNT-XDYOCTJHSA-N -1 3 306.189 2.763 20 10 DFCDHM COCCCCc1cccnc1NC(=O)c1cccc(O)c1[O-] ZINC000291231760 292326168 /nfs/dbraw/zinc/32/61/68/292326168.db2.gz KJCOOZGGDYPMKI-UHFFFAOYSA-N -1 3 316.357 2.714 20 10 DFCDHM C[C@@H](C(=O)NCc1cccs1)N(C)Cc1ccccc1[O-] ZINC000109769205 426033362 /nfs/dbraw/zinc/03/33/62/426033362.db2.gz BUKYYFTYEDAKCK-LBPRGKRZSA-N -1 3 304.415 2.590 20 10 DFCDHM CCN(C(C)=O)c1nc(CN(C)Cc2ccccc2[O-])cs1 ZINC000171937284 426219966 /nfs/dbraw/zinc/21/99/66/426219966.db2.gz AXHNMVPWSKVUDH-UHFFFAOYSA-N -1 3 319.430 2.854 20 10 DFCDHM Cc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c([O-])c1 ZINC000175426096 426304144 /nfs/dbraw/zinc/30/41/44/426304144.db2.gz BYTFJJCJLHWRBE-UHFFFAOYSA-N -1 3 312.369 2.806 20 10 DFCDHM NC(=O)C[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093808878 426357433 /nfs/dbraw/zinc/35/74/33/426357433.db2.gz HYJFZUVDFGAFRP-SECBINFHSA-N -1 3 317.216 2.786 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN(C)CC2(O)CCCC2)c1[O-] ZINC000124264434 426476937 /nfs/dbraw/zinc/47/69/37/426476937.db2.gz NUZFLLPMHMEALO-UHFFFAOYSA-N -1 3 311.809 2.985 20 10 DFCDHM COc1ccc2c(c1)CN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000177676108 426504239 /nfs/dbraw/zinc/50/42/39/426504239.db2.gz SAKNQUSAFHPIBM-UHFFFAOYSA-N -1 3 313.353 2.613 20 10 DFCDHM Cc1ccc(C)n1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000280759895 426649387 /nfs/dbraw/zinc/64/93/87/426649387.db2.gz XXLFJFMIWPSHSI-UHFFFAOYSA-N -1 3 314.385 2.993 20 10 DFCDHM CCN(CC)[C@H](CNC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000187033885 426623213 /nfs/dbraw/zinc/62/32/13/426623213.db2.gz LUBHPYUJAHLSCM-CYBMUJFWSA-N -1 3 318.373 2.504 20 10 DFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000266512853 426728273 /nfs/dbraw/zinc/72/82/73/426728273.db2.gz YKQINPOULNTHFR-LLVKDONJSA-N -1 3 319.382 2.825 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1[O-] ZINC000245608040 426756613 /nfs/dbraw/zinc/75/66/13/426756613.db2.gz AAPHOAUFLWFWMM-HUUCEWRRSA-N -1 3 311.809 2.734 20 10 DFCDHM Cc1c[nH]nc1CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000290436784 426764129 /nfs/dbraw/zinc/76/41/29/426764129.db2.gz NLCZWVNIDVESCC-HNNXBMFYSA-N -1 3 301.390 2.605 20 10 DFCDHM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000179513215 426797687 /nfs/dbraw/zinc/79/76/87/426797687.db2.gz PQEAQDRTZVJRMO-STQMWFEESA-N -1 3 307.390 2.682 20 10 DFCDHM Cc1cc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)c(C)o1 ZINC000179562023 426802834 /nfs/dbraw/zinc/80/28/34/426802834.db2.gz WOLCRHGOATUWPZ-UHFFFAOYSA-N -1 3 314.385 2.560 20 10 DFCDHM CCn1ccnc1[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000281962965 426803471 /nfs/dbraw/zinc/80/34/71/426803471.db2.gz XVSQZDVTOIEVAZ-CYBMUJFWSA-N -1 3 315.373 2.682 20 10 DFCDHM CON(Cc1cc(F)cc(C(C)=O)c1[O-])CC1CCOCC1 ZINC000282477865 426915059 /nfs/dbraw/zinc/91/50/59/426915059.db2.gz LYLKYNFMAURUDE-UHFFFAOYSA-N -1 3 311.353 2.524 20 10 DFCDHM Cn1cc([C@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000295262124 426882008 /nfs/dbraw/zinc/88/20/08/426882008.db2.gz GYDOKVMVWNUSDR-JTQLQIEISA-N -1 3 309.772 2.908 20 10 DFCDHM COc1cc(Cl)cc(CNCc2ncccc2N(C)C)c1[O-] ZINC000291453317 426885559 /nfs/dbraw/zinc/88/55/59/426885559.db2.gz CQZGUMAUNNGMOU-UHFFFAOYSA-N -1 3 321.808 2.805 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](C2OCCO2)C1 ZINC000295323281 426909038 /nfs/dbraw/zinc/90/90/38/426909038.db2.gz LKYVZMPECANGHB-SNVBAGLBSA-N -1 3 315.772 2.770 20 10 DFCDHM COC(=O)CN(Cc1cc(F)cc(C(C)=O)c1[O-])C1CCCC1 ZINC000268583562 427059322 /nfs/dbraw/zinc/05/93/22/427059322.db2.gz SKJASJWJLBWQLI-UHFFFAOYSA-N -1 3 323.364 2.652 20 10 DFCDHM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000276865653 427126294 /nfs/dbraw/zinc/12/62/94/427126294.db2.gz GRAFAGLBGRHQKW-PSASIEDQSA-N -1 3 318.377 2.529 20 10 DFCDHM Cc1cc(CNCc2cccc(F)c2[O-])nc(N2CCCC2)n1 ZINC000292786302 427199389 /nfs/dbraw/zinc/19/93/89/427199389.db2.gz LYFMGVPYDMZVIU-UHFFFAOYSA-N -1 3 316.380 2.520 20 10 DFCDHM CCCOc1ccc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c([O-])c1 ZINC000271167809 427429168 /nfs/dbraw/zinc/42/91/68/427429168.db2.gz CXPCMLFBSNAMLX-BHVCSQLQSA-N -1 3 311.447 2.522 20 10 DFCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325687 427430066 /nfs/dbraw/zinc/43/00/66/427430066.db2.gz GORBUXQHYNWTPT-FZMZJTMJSA-N -1 3 324.396 2.876 20 10 DFCDHM Cc1cnc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)s1 ZINC000278397013 427431186 /nfs/dbraw/zinc/43/11/86/427431186.db2.gz DELLRYKGICIIQO-UHFFFAOYSA-N -1 3 318.398 2.883 20 10 DFCDHM CCOC(=O)N1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271186563 427438572 /nfs/dbraw/zinc/43/85/72/427438572.db2.gz KGTOANMEBAJNRU-UHFFFAOYSA-N -1 3 312.797 2.710 20 10 DFCDHM COc1c([O-])c(CN[C@@H](C)c2ncc(C)s2)ccc1[N+](=O)[O-] ZINC000278530471 427441343 /nfs/dbraw/zinc/44/13/43/427441343.db2.gz UYXZPCZQTLFMQW-VIFPVBQESA-N -1 3 323.374 2.925 20 10 DFCDHM COC(=O)[C@@H]1CCCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184676172 427515343 /nfs/dbraw/zinc/51/53/43/427515343.db2.gz WWPCBHXPOCWMDV-LBPRGKRZSA-N -1 3 313.781 2.582 20 10 DFCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])C(=O)NC(C)(C)C ZINC000294269080 427606369 /nfs/dbraw/zinc/60/63/69/427606369.db2.gz OJEPTOCCCPYCCH-MRVPVSSYSA-N -1 3 302.777 2.578 20 10 DFCDHM C[C@@H](c1nccs1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000185609250 427680759 /nfs/dbraw/zinc/68/07/59/427680759.db2.gz LOMAMOCEUYQBJH-ZDUSSCGKSA-N -1 3 303.431 2.728 20 10 DFCDHM C[C@@H](N[C@@H](C)C(=O)N(C)C)c1cc(Cl)c(Cl)cc1[O-] ZINC000193353457 427687286 /nfs/dbraw/zinc/68/72/86/427687286.db2.gz RRXRRBKZHMFRNA-SFYZADRCSA-N -1 3 305.205 2.826 20 10 DFCDHM C=Cn1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cn1 ZINC000193605492 427698815 /nfs/dbraw/zinc/69/88/15/427698815.db2.gz RLIOTGFCLVHGND-QGZVFWFLSA-N -1 3 313.401 2.870 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@]3(CCO[C@H]3C)C2)c([O-])c1 ZINC000279615279 427713519 /nfs/dbraw/zinc/71/35/19/427713519.db2.gz GCPPEIVLPKDBEG-KBXCAEBGSA-N -1 3 321.417 2.561 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000279717116 427716346 /nfs/dbraw/zinc/71/63/46/427716346.db2.gz UDFKIQSHPRNRJK-WBMJQRKESA-N -1 3 311.809 2.734 20 10 DFCDHM CC[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000369545194 427995545 /nfs/dbraw/zinc/99/55/45/427995545.db2.gz DOEBFDFEHZWQOP-GOEBONIOSA-N -1 3 311.809 2.816 20 10 DFCDHM Cc1ccc(C(=O)N2CC(C)(c3ccccc3F)C2)c([O-])c1O ZINC000370101546 428135347 /nfs/dbraw/zinc/13/53/47/428135347.db2.gz KXSGYOCNDXQWOF-UHFFFAOYSA-N -1 3 315.344 2.959 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](n3cccn3)C2)c1[O-] ZINC000370175156 428152419 /nfs/dbraw/zinc/15/24/19/428152419.db2.gz LGVGZPGTHNSWPI-HNNXBMFYSA-N -1 3 317.364 2.768 20 10 DFCDHM Nc1nccc([C@@H]2CCCN(Cc3c([O-])cccc3Cl)C2)n1 ZINC000377691099 428196593 /nfs/dbraw/zinc/19/65/93/428196593.db2.gz HGLUFBYUYQPGHN-LLVKDONJSA-N -1 3 318.808 2.797 20 10 DFCDHM NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cccc(Cl)c1[O-] ZINC000371422982 428389562 /nfs/dbraw/zinc/38/95/62/428389562.db2.gz HZIAMNJFVVDMAI-HONMWMINSA-N -1 3 308.809 2.664 20 10 DFCDHM O=C([C@@H]1CCCCN1Cc1cccc(F)c1[O-])N1CCCC1 ZINC000361050953 428531659 /nfs/dbraw/zinc/53/16/59/428531659.db2.gz IOUDYSHLQAGUJI-HNNXBMFYSA-N -1 3 306.381 2.508 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@H](COC(C)C)C2)c([O-])c1 ZINC000373489106 428591578 /nfs/dbraw/zinc/59/15/78/428591578.db2.gz IUKJJQOETAOPIO-KRWDZBQOSA-N -1 3 323.433 2.807 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)c1[O-] ZINC000373710716 428638945 /nfs/dbraw/zinc/63/89/45/428638945.db2.gz ZZOOFWDDJNQLJS-CABCVRRESA-N -1 3 323.820 2.924 20 10 DFCDHM COc1c([O-])c(CN[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000373918567 428655057 /nfs/dbraw/zinc/65/50/57/428655057.db2.gz RBDJYDIBCGZIII-LBPRGKRZSA-N -1 3 316.313 2.532 20 10 DFCDHM NC(=O)[C@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1[O-] ZINC000374306586 428675251 /nfs/dbraw/zinc/67/52/51/428675251.db2.gz FIMDGPPXXRYXBN-MRXNPFEDSA-N -1 3 316.788 2.630 20 10 DFCDHM C[C@H]1COCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000376582681 429143310 /nfs/dbraw/zinc/14/33/10/429143310.db2.gz VHLYZJJCUYFNDK-SNVBAGLBSA-N -1 3 300.196 2.623 20 10 DFCDHM C[C@H]1OCC[C@]12CN(Cc1cc(Cl)ccc1[O-])C[C@@H](C)O2 ZINC000365751449 429366994 /nfs/dbraw/zinc/36/69/94/429366994.db2.gz CETDPMYZDWRYQJ-HSMVNMDESA-N -1 3 311.809 2.814 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](Oc2ccccc2)C1 ZINC000365757275 429367239 /nfs/dbraw/zinc/36/72/39/429367239.db2.gz IBQAFSNTKMDVIE-AWEZNQCLSA-N -1 3 313.353 2.781 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccccc2F)C1 ZINC000365755129 429367686 /nfs/dbraw/zinc/36/76/86/429367686.db2.gz WOSYJLLOCAQNQC-UHFFFAOYSA-N -1 3 301.317 2.552 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1COc2ccccc2[C@@H]1O ZINC000367287505 429613558 /nfs/dbraw/zinc/61/35/58/429613558.db2.gz QRHRMMJEIWXTFE-WBMJQRKESA-N -1 3 323.751 2.769 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC23CCOCC3)c1[O-] ZINC000368475832 429855085 /nfs/dbraw/zinc/85/50/85/429855085.db2.gz WVHGDFWTZZFYOK-UHFFFAOYSA-N -1 3 312.753 2.709 20 10 DFCDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528420605 429887166 /nfs/dbraw/zinc/88/71/66/429887166.db2.gz WUHRHQVESUDZEN-MRXNPFEDSA-N -1 3 302.418 2.758 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000120825247 277105986 /nfs/dbraw/zinc/10/59/86/277105986.db2.gz SUZWHHNOPIFCNH-JKSUJKDBSA-N -1 3 307.365 2.877 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N(CCC(F)(F)F)CC1CC1 ZINC000185816325 304549009 /nfs/dbraw/zinc/54/90/09/304549009.db2.gz AYSJDLLOYSPFGK-UHFFFAOYSA-N -1 3 303.280 2.902 20 10 DFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)O1 ZINC000127034732 300269434 /nfs/dbraw/zinc/26/94/34/300269434.db2.gz BPNAYKHTOSATKU-UWVGGRQHSA-N -1 3 300.196 2.764 20 10 DFCDHM Cc1c[nH]nc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000290436789 301032603 /nfs/dbraw/zinc/03/26/03/301032603.db2.gz NLCZWVNIDVESCC-OAHLLOKOSA-N -1 3 301.390 2.605 20 10 DFCDHM Cc1cc(Br)cc(CN2CCOC[C@H](C)C2)c1[O-] ZINC000378446518 333039338 /nfs/dbraw/zinc/03/93/38/333039338.db2.gz ZLCKWTPCRSZODZ-SNVBAGLBSA-N -1 3 314.223 2.931 20 10 DFCDHM CC[C@@H](NCC(F)(F)CO)c1cc(Br)ccc1[O-] ZINC000186420690 335158092 /nfs/dbraw/zinc/15/80/92/335158092.db2.gz VOASMUNPHBUXOO-SNVBAGLBSA-N -1 3 324.165 2.823 20 10 DFCDHM Cc1nc(C[C@@H]2CCCN(Cc3cccc(F)c3[O-])C2)no1 ZINC000272272505 334032601 /nfs/dbraw/zinc/03/26/01/334032601.db2.gz LSLPYWXFEPFJAI-LBPRGKRZSA-N -1 3 305.353 2.677 20 10 DFCDHM Cc1cnc(N2CCN(Cc3cccc(F)c3[O-])CC2)s1 ZINC000272334933 334033423 /nfs/dbraw/zinc/03/34/23/334033423.db2.gz XDXKXLONAOUADB-UHFFFAOYSA-N -1 3 307.394 2.618 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000352110185 336195307 /nfs/dbraw/zinc/19/53/07/336195307.db2.gz ARPOHYDTUMIKLK-UHFFFAOYSA-N -1 3 319.368 2.688 20 10 DFCDHM O=S1(=O)C[C@@H](NCc2cc(Cl)ccc2[O-])c2ccccc21 ZINC000370354576 336882937 /nfs/dbraw/zinc/88/29/37/336882937.db2.gz DZNGRPLKWCWCBF-CYBMUJFWSA-N -1 3 323.801 2.664 20 10 DFCDHM CC(C)COC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000181484753 519750027 /nfs/dbraw/zinc/75/00/27/519750027.db2.gz ULIJNOJXSFWXPY-INIZCTEOSA-N -1 3 321.417 2.572 20 10 DFCDHM COCCOc1ncccc1CNCc1c([O-])cccc1Cl ZINC000264952251 521756211 /nfs/dbraw/zinc/75/62/11/521756211.db2.gz LDRXVLMHERJGOT-UHFFFAOYSA-N -1 3 322.792 2.756 20 10 DFCDHM COc1ccccc1CN(CCO)Cc1cc(F)ccc1[O-] ZINC000179940045 524440775 /nfs/dbraw/zinc/44/07/75/524440775.db2.gz BJPOWFBZKWKCRM-UHFFFAOYSA-N -1 3 305.349 2.534 20 10 DFCDHM C[C@@H](NCc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000181013582 525554993 /nfs/dbraw/zinc/55/49/93/525554993.db2.gz RHMNMDGMLCOVQB-SECBINFHSA-N -1 3 310.195 2.739 20 10 DFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000158067606 527025546 /nfs/dbraw/zinc/02/55/46/527025546.db2.gz IZHYPRRHGKWZEK-AWEZNQCLSA-N -1 3 308.809 2.536 20 10 DFCDHM COCCOc1ncccc1CN[C@H](C)c1cc(F)ccc1[O-] ZINC000273439458 536742457 /nfs/dbraw/zinc/74/24/57/536742457.db2.gz XZHZHRLRGAHUMQ-GFCCVEGCSA-N -1 3 320.364 2.802 20 10 DFCDHM Cc1noc(-c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)n1 ZINC000737534560 598859982 /nfs/dbraw/zinc/85/99/82/598859982.db2.gz PVNBRZRJRFCUMS-UHFFFAOYSA-N -1 3 321.344 2.633 20 10 DFCDHM CCOc1ccc(C[NH2+][C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000820387603 598193523 /nfs/dbraw/zinc/19/35/23/598193523.db2.gz UTPLSQBYDZUSEJ-MRXNPFEDSA-N -1 3 315.369 2.576 20 10 DFCDHM O=C([O-])c1cc2ccccc2c(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000833307168 601055319 /nfs/dbraw/zinc/05/53/19/601055319.db2.gz FZEZQPYRUWQHDP-BETUJISGSA-N -1 3 313.353 2.607 20 10 DFCDHM CN(C(=O)[O-])[C@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000827890788 603915899 /nfs/dbraw/zinc/91/58/99/603915899.db2.gz UABIOWIKUHRTPJ-ZDUSSCGKSA-N -1 3 322.405 2.579 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CNC2(C(N)=O)CCCCC2)c1[O-] ZINC000088545497 185257141 /nfs/dbraw/zinc/25/71/41/185257141.db2.gz GNZQTEOVPHRWTG-UHFFFAOYSA-N -1 3 324.808 2.526 20 10 DFCDHM CCN(Cc1ncc[nH]1)Cc1cc(Br)ccc1[O-] ZINC000072876263 191247342 /nfs/dbraw/zinc/24/73/42/191247342.db2.gz NGSJYSTUIDVYCM-UHFFFAOYSA-N -1 3 310.195 2.900 20 10 DFCDHM CCNC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000080660171 192180219 /nfs/dbraw/zinc/18/02/19/192180219.db2.gz UJHWFGUAGMVARX-UHFFFAOYSA-N -1 3 301.184 2.706 20 10 DFCDHM COC(=O)N1CC(N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186137809 291181443 /nfs/dbraw/zinc/18/14/43/291181443.db2.gz IVKDOBVUGGPFPD-SSDOTTSWSA-N -1 3 319.188 2.800 20 10 DFCDHM Cc1ccc(C(=O)N(C)[C@H](CCO)c2ccccc2)c([O-])c1O ZINC000272546663 130039936 /nfs/dbraw/zinc/03/99/36/130039936.db2.gz ACIGTECKQNBVMJ-OAHLLOKOSA-N -1 3 315.369 2.602 20 10 DFCDHM COCC[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000272571661 130042768 /nfs/dbraw/zinc/04/27/68/130042768.db2.gz OQUCBRABMGMNTH-ZDUSSCGKSA-N -1 3 306.318 2.761 20 10 DFCDHM Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c([O-])c1O ZINC000272815742 130066412 /nfs/dbraw/zinc/06/64/12/130066412.db2.gz NZCMOZIESAFGKW-CYBMUJFWSA-N -1 3 320.414 2.500 20 10 DFCDHM COCC[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccco1 ZINC000272990399 130079733 /nfs/dbraw/zinc/07/97/33/130079733.db2.gz MZUXSRSLQDHDAS-GFCCVEGCSA-N -1 3 305.330 2.507 20 10 DFCDHM CCc1nn(C)cc1N[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273541976 130133639 /nfs/dbraw/zinc/13/36/39/130133639.db2.gz YIUAUQJUNMOIOP-JTQLQIEISA-N -1 3 303.362 2.648 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](COc2ccccc2)C1 ZINC000279805371 130764413 /nfs/dbraw/zinc/76/44/13/130764413.db2.gz KOVDDBJCWOIDME-CYBMUJFWSA-N -1 3 313.353 2.639 20 10 DFCDHM COc1cc(Cl)cc(CNC(C)(C)c2nc(C)no2)c1[O-] ZINC000285280010 131153785 /nfs/dbraw/zinc/15/37/85/131153785.db2.gz UXOPGFUPACTCFX-UHFFFAOYSA-N -1 3 311.769 2.771 20 10 DFCDHM C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000285510306 131176342 /nfs/dbraw/zinc/17/63/42/131176342.db2.gz MRRGSUYKPIYIPU-DEYYWGMASA-N -1 3 319.401 2.644 20 10 DFCDHM CC[C@H](NCc1cnn(CCOC)c1)c1ccc(F)cc1[O-] ZINC000287468038 131281296 /nfs/dbraw/zinc/28/12/96/131281296.db2.gz MFCFRWFAJCLFMP-HNNXBMFYSA-N -1 3 307.369 2.615 20 10 DFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)[S@]1=O ZINC000289586380 131399401 /nfs/dbraw/zinc/39/94/01/131399401.db2.gz KFCQISRZVWWTDW-XCJKDKRRSA-N -1 3 301.839 2.777 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](CO)c2ccccc2)c1 ZINC000273549279 292013937 /nfs/dbraw/zinc/01/39/37/292013937.db2.gz FQZCZSZKPSREFQ-WBMJQRKESA-N -1 3 315.369 2.563 20 10 DFCDHM C[C@@H](C1CC1)N(C(=O)CN(C)Cc1ccccc1[O-])C1CC1 ZINC000111236194 426038614 /nfs/dbraw/zinc/03/86/14/426038614.db2.gz WQCGULARRFTMML-ZDUSSCGKSA-N -1 3 302.418 2.614 20 10 DFCDHM C[C@@H](C(=O)NCCc1cccs1)N(C)Cc1ccccc1[O-] ZINC000114721351 426143226 /nfs/dbraw/zinc/14/32/26/426143226.db2.gz LTBVFGNVQQMTOX-ZDUSSCGKSA-N -1 3 318.442 2.633 20 10 DFCDHM CN(CC(=O)N(C)Cc1cccs1)Cc1ccccc1[O-] ZINC000174854143 426267374 /nfs/dbraw/zinc/26/73/74/426267374.db2.gz XSPIZRPXXGOLSV-UHFFFAOYSA-N -1 3 304.415 2.544 20 10 DFCDHM Cc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1[O-] ZINC000175425774 426303562 /nfs/dbraw/zinc/30/35/62/426303562.db2.gz PBAGIVWMIJMULA-UHFFFAOYSA-N -1 3 312.369 2.806 20 10 DFCDHM Cc1ccc(C(=O)NCCc2csc(C(C)C)n2)c([O-])c1O ZINC000177679841 426506067 /nfs/dbraw/zinc/50/60/67/426506067.db2.gz NBWOGCGQDOUYNV-UHFFFAOYSA-N -1 3 320.414 2.959 20 10 DFCDHM C[C@@H]1OCC[C@]12CN(Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529129 426592383 /nfs/dbraw/zinc/59/23/83/426592383.db2.gz RMAMAJFBAKYFOA-WQGACYEGSA-N -1 3 311.809 2.814 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](Nc2ccccc2)C1 ZINC000187192366 426637694 /nfs/dbraw/zinc/63/76/94/426637694.db2.gz JQKFDGKCMAUGMK-CQSZACIVSA-N -1 3 312.369 2.815 20 10 DFCDHM CC[C@@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000281098054 426699885 /nfs/dbraw/zinc/69/98/85/426699885.db2.gz AERAFXRFNZXBNE-SNVBAGLBSA-N -1 3 315.797 2.828 20 10 DFCDHM C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1[O-] ZINC000245792435 426772536 /nfs/dbraw/zinc/77/25/36/426772536.db2.gz CPNYRMNCKWGCNA-ZNMIVQPWSA-N -1 3 304.434 2.717 20 10 DFCDHM [O-]c1ccc(F)cc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281764722 426761674 /nfs/dbraw/zinc/76/16/74/426761674.db2.gz LSWZSKQTDORETA-CVEARBPZSA-N -1 3 305.324 2.978 20 10 DFCDHM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(O)cc1[O-] ZINC000179457646 426790277 /nfs/dbraw/zinc/79/02/77/426790277.db2.gz OEDKFPLPWUUKRZ-UHFFFAOYSA-N -1 3 314.385 2.826 20 10 DFCDHM CC(C)N(Cc1cc(Br)ccc1[O-])C1COC1 ZINC000296154016 427095564 /nfs/dbraw/zinc/09/55/64/427095564.db2.gz WCLBSQHVLUGHQQ-UHFFFAOYSA-N -1 3 300.196 2.764 20 10 DFCDHM Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c([O-])c1O ZINC000292466495 427182160 /nfs/dbraw/zinc/18/21/60/427182160.db2.gz MGQZYPMWOSFAMU-XJKSGUPXSA-N -1 3 317.385 2.580 20 10 DFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1C1CCCC1 ZINC000277395527 427188445 /nfs/dbraw/zinc/18/84/45/427188445.db2.gz NVEQETSBBXWUGC-UHFFFAOYSA-N -1 3 308.765 2.752 20 10 DFCDHM Cc1nc2n(n1)CCC[C@@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000293676520 427403414 /nfs/dbraw/zinc/40/34/14/427403414.db2.gz RATDFUGEFZGZRR-LBPRGKRZSA-N -1 3 310.760 2.709 20 10 DFCDHM CC(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000270990222 427367977 /nfs/dbraw/zinc/36/79/77/427367977.db2.gz HQFLXAGRUAGKIF-UHFFFAOYSA-N -1 3 310.397 2.723 20 10 DFCDHM COc1c([O-])c(CN2CCC[C@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000278294600 427427576 /nfs/dbraw/zinc/42/75/76/427427576.db2.gz VHTLANIZLRKCQF-ZDUSSCGKSA-N -1 3 317.345 2.974 20 10 DFCDHM CCCOc1ccc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000271167810 427428288 /nfs/dbraw/zinc/42/82/88/427428288.db2.gz CXPCMLFBSNAMLX-BYVOGVQKSA-N -1 3 311.447 2.522 20 10 DFCDHM CN(Cc1c(Br)cnn1C)Cc1ccccc1[O-] ZINC000278454721 427438295 /nfs/dbraw/zinc/43/82/95/427438295.db2.gz NSUQXHIFXBBADT-UHFFFAOYSA-N -1 3 310.195 2.520 20 10 DFCDHM COC(=O)[C@H]1CCCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184676150 427514960 /nfs/dbraw/zinc/51/49/60/427514960.db2.gz WWPCBHXPOCWMDV-GFCCVEGCSA-N -1 3 313.781 2.582 20 10 DFCDHM CC(C)NC(=O)CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192617080 427574870 /nfs/dbraw/zinc/57/48/70/427574870.db2.gz PGXBBTKIJLUDCW-QMMMGPOBSA-N -1 3 305.205 2.874 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000271743526 427584926 /nfs/dbraw/zinc/58/49/26/427584926.db2.gz RVAOXNHXNOCTCY-PWSUYJOCSA-N -1 3 309.715 2.933 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@H]2C)c1[O-] ZINC000271903978 427591454 /nfs/dbraw/zinc/59/14/54/427591454.db2.gz ZXRLOBMQAXPAED-FDMGOTLNSA-N -1 3 301.839 2.695 20 10 DFCDHM CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000193142826 427671929 /nfs/dbraw/zinc/67/19/29/427671929.db2.gz LMOJEINFIDJSLZ-CQSZACIVSA-N -1 3 315.369 2.511 20 10 DFCDHM COc1ccccc1N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272241868 427684039 /nfs/dbraw/zinc/68/40/39/427684039.db2.gz GQTUGTBBQLBPEV-UHFFFAOYSA-N -1 3 316.376 2.862 20 10 DFCDHM CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc(F)ccc1[O-] ZINC000185683441 427690664 /nfs/dbraw/zinc/69/06/64/427690664.db2.gz NMXNKSNTFBDKNC-GWCFXTLKSA-N -1 3 304.369 2.871 20 10 DFCDHM C[C@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000185812819 427712377 /nfs/dbraw/zinc/71/23/77/427712377.db2.gz XWLVSPJZHMMGGD-BLLLJJGKSA-N -1 3 314.360 2.987 20 10 DFCDHM CC(C)c1nnc([C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)o1 ZINC000279632207 427715493 /nfs/dbraw/zinc/71/54/93/427715493.db2.gz IDMNXWAJPRZMEW-CQSZACIVSA-N -1 3 321.352 2.611 20 10 DFCDHM CC[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000369879105 428081718 /nfs/dbraw/zinc/08/17/18/428081718.db2.gz XCUIXCQLWAEMAZ-DOTOQJQBSA-N -1 3 309.381 2.691 20 10 DFCDHM CC1(c2ccccc2F)CN(C(=O)c2cccc(O)c2[O-])C1 ZINC000370104322 428135567 /nfs/dbraw/zinc/13/55/67/428135567.db2.gz IMOYUSKELKILDO-UHFFFAOYSA-N -1 3 301.317 2.651 20 10 DFCDHM CC(C)c1nc([C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)no1 ZINC000371535595 428395129 /nfs/dbraw/zinc/39/51/29/428395129.db2.gz RLOIVDVLXUOOSU-CQSZACIVSA-N -1 3 321.352 2.611 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H]1c1ncon1 ZINC000371375191 428385309 /nfs/dbraw/zinc/38/53/09/428385309.db2.gz UGBLNZBGIYTXIB-LLVKDONJSA-N -1 3 324.178 2.875 20 10 DFCDHM CC1(C)CN(Cc2cccc(F)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000373602857 428615950 /nfs/dbraw/zinc/61/59/50/428615950.db2.gz GVLOHRSGMZGRNR-QGZVFWFLSA-N -1 3 309.381 2.691 20 10 DFCDHM Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000374258099 428669354 /nfs/dbraw/zinc/66/93/54/428669354.db2.gz IJYBDKXNLRXWNT-CQSZACIVSA-N -1 3 321.808 2.959 20 10 DFCDHM Cc1nc2c(s1)CCC[C@@H]2CNC(=O)c1cccc(O)c1[O-] ZINC000364567089 429224983 /nfs/dbraw/zinc/22/49/83/429224983.db2.gz JHYPKSRVIDENFH-SNVBAGLBSA-N -1 3 318.398 2.713 20 10 DFCDHM CN(C)c1ccc(C2=CCN(C(=O)c3ccccc3[O-])C2)cc1 ZINC000367525341 429663361 /nfs/dbraw/zinc/66/33/61/429663361.db2.gz SWMLIWZJSHUQFS-UHFFFAOYSA-N -1 3 308.381 2.998 20 10 DFCDHM CN(Cc1ccccc1[O-])[C@H]1CCN(C2CCCCC2)C1=O ZINC000528420603 429886858 /nfs/dbraw/zinc/88/68/58/429886858.db2.gz WUHRHQVESUDZEN-INIZCTEOSA-N -1 3 302.418 2.758 20 10 DFCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC2(CCOCC2)O1 ZINC000369128840 429914723 /nfs/dbraw/zinc/91/47/23/429914723.db2.gz YOINOWBUDWULBS-GFCCVEGCSA-N -1 3 311.809 2.816 20 10 DFCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000294797341 335127488 /nfs/dbraw/zinc/12/74/88/335127488.db2.gz VSQSLXLPOUZNKF-GXSJLCMTSA-N -1 3 315.772 2.816 20 10 DFCDHM O=C1N=C(N2CCCCC2)S/C1=C\c1cc([O-])cc(F)c1 ZINC000184547421 333198137 /nfs/dbraw/zinc/19/81/37/333198137.db2.gz FLEFMUZXNGFBIU-JYRVWZFOSA-N -1 3 306.362 2.988 20 10 DFCDHM CCOC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294800983 335127855 /nfs/dbraw/zinc/12/78/55/335127855.db2.gz DGUDACGHIAJFFK-UHFFFAOYSA-N -1 3 315.772 2.960 20 10 DFCDHM Cc1ccc(C(=O)N2CCCC[C@H]2c2ccnn2C)c([O-])c1O ZINC000282129133 334131890 /nfs/dbraw/zinc/13/18/90/334131890.db2.gz PFULFELOFAISNJ-AWEZNQCLSA-N -1 3 315.373 2.507 20 10 DFCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@@H]1c1cccs1 ZINC000371330841 336900777 /nfs/dbraw/zinc/90/07/77/336900777.db2.gz CWPJFSKEZMHECO-CQSZACIVSA-N -1 3 322.817 2.780 20 10 DFCDHM Cn1cc([C@H]2CSCCN2Cc2cccc(F)c2[O-])cn1 ZINC000375462825 337011600 /nfs/dbraw/zinc/01/16/00/337011600.db2.gz UKFXLCFRJJMEFL-CQSZACIVSA-N -1 3 307.394 2.555 20 10 DFCDHM Cc1cnc([C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000375679042 337016336 /nfs/dbraw/zinc/01/63/36/337016336.db2.gz NLACWPHKIOBGLC-LLVKDONJSA-N -1 3 318.398 2.883 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@@](=O)CC[C@H]2C)c1[O-] ZINC000376660631 337039260 /nfs/dbraw/zinc/03/92/60/337039260.db2.gz ZEDAQQFPUPJHAK-WYRIXSBYSA-N -1 3 301.839 2.697 20 10 DFCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])c2ccccc2C(=O)N1 ZINC000378131061 337066972 /nfs/dbraw/zinc/06/69/72/337066972.db2.gz NZGRTZHKISPQPO-NSHDSACASA-N -1 3 300.333 2.670 20 10 DFCDHM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCO1 ZINC000378345928 337070690 /nfs/dbraw/zinc/07/06/90/337070690.db2.gz NXXWKNNSVGIVCN-UHFFFAOYSA-N -1 3 314.769 2.955 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2nccn2C)c1[O-] ZINC000378463611 337073501 /nfs/dbraw/zinc/07/35/01/337073501.db2.gz RHOGWYDWRMROBY-HNNXBMFYSA-N -1 3 317.364 2.805 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC(c3cc[nH]n3)CC2)c1[O-] ZINC000175619678 337148547 /nfs/dbraw/zinc/14/85/47/337148547.db2.gz ICHHBXPRTQMNBO-UHFFFAOYSA-N -1 3 317.364 2.837 20 10 DFCDHM COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C)cc1[O-] ZINC000185775669 337251188 /nfs/dbraw/zinc/25/11/88/337251188.db2.gz BOCNWAHSKZLNBY-GXTWGEPZSA-N -1 3 316.405 2.624 20 10 DFCDHM CC(C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158017386 519512509 /nfs/dbraw/zinc/51/25/09/519512509.db2.gz GMGZLWQKJDPFRD-CQSZACIVSA-N -1 3 310.825 2.782 20 10 DFCDHM CCCCCN1CC(=O)N[C@@H]1c1ccc(OCCC)cc1[O-] ZINC000182333118 520181165 /nfs/dbraw/zinc/18/11/65/520181165.db2.gz ZNUGCHOVBBMJOH-KRWDZBQOSA-N -1 3 306.406 2.802 20 10 DFCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(O)c1[O-] ZINC000266246801 521698898 /nfs/dbraw/zinc/69/88/98/521698898.db2.gz ZAPOGAPSBJSKDL-OAHLLOKOSA-N -1 3 304.390 2.641 20 10 DFCDHM COC(=O)C[C@@H]1CSCCN1Cc1cccc(Cl)c1[O-] ZINC000180401741 523308307 /nfs/dbraw/zinc/30/83/07/523308307.db2.gz NIEGPURCTVNMQN-LLVKDONJSA-N -1 3 315.822 2.526 20 10 DFCDHM Cc1ccc(C(=O)N(C)Cc2cc(Cl)cn2C)c([O-])c1O ZINC000182597380 526060779 /nfs/dbraw/zinc/06/07/79/526060779.db2.gz WNCJWLZPLXYIDH-UHFFFAOYSA-N -1 3 308.765 2.670 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCCC2=O)c([O-])c1O ZINC000182581396 526100583 /nfs/dbraw/zinc/10/05/83/526100583.db2.gz HYMMMKQUFBGJAY-TZMCWYRMSA-N -1 3 317.385 2.770 20 10 DFCDHM Cc1ccc(C(=O)NCc2ccnc(OC(C)C)c2)c([O-])c1O ZINC000182890646 526190166 /nfs/dbraw/zinc/19/01/66/526190166.db2.gz BFXSCVUEOVZQPU-UHFFFAOYSA-N -1 3 316.357 2.518 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCCN(CC(F)(F)F)CC1 ZINC000179923514 526348563 /nfs/dbraw/zinc/34/85/63/526348563.db2.gz VKGCCVATYVBDCL-UHFFFAOYSA-N -1 3 306.303 2.601 20 10 DFCDHM Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182944040 526522250 /nfs/dbraw/zinc/52/22/50/526522250.db2.gz KAEJNKVOCPUNIQ-CYBMUJFWSA-N -1 3 315.373 2.723 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000365100987 526771384 /nfs/dbraw/zinc/77/13/84/526771384.db2.gz RQAKLELPDAWPDO-CYBMUJFWSA-N -1 3 323.352 2.535 20 10 DFCDHM Cc1nc(N2CCN(Cc3cc(F)ccc3[O-])CC2)sc1C ZINC000180205873 526969774 /nfs/dbraw/zinc/96/97/74/526969774.db2.gz IIPUTLWBWKLOMP-UHFFFAOYSA-N -1 3 321.421 2.927 20 10 DFCDHM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3)ccc2O1 ZINC000271980713 534954715 /nfs/dbraw/zinc/95/47/15/534954715.db2.gz WYMXMLDMWRLAEO-UHFFFAOYSA-N -1 3 319.382 2.907 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000832504725 601814557 /nfs/dbraw/zinc/81/45/57/601814557.db2.gz VDZMJVRWOLDJHE-ABAIWWIYSA-N -1 3 315.369 2.707 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)c2c1 ZINC000832504725 601814558 /nfs/dbraw/zinc/81/45/58/601814558.db2.gz VDZMJVRWOLDJHE-ABAIWWIYSA-N -1 3 315.369 2.707 20 10 DFCDHM Cc1ccc([C@@H]2COCCN2Cc2cc3c(cc2[O-])OCO3)o1 ZINC000093460049 193255441 /nfs/dbraw/zinc/25/54/41/193255441.db2.gz IGFNBDNMOBBWTD-ZDUSSCGKSA-N -1 3 317.341 2.596 20 10 DFCDHM C[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])C(=O)NC(C)(C)C ZINC000187675426 296158575 /nfs/dbraw/zinc/15/85/75/296158575.db2.gz WRAPQLVDRXNQCV-RKDXNWHRSA-N -1 3 300.349 2.624 20 10 DFCDHM Cc1cccc([O-])c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000625916249 399685519 /nfs/dbraw/zinc/68/55/19/399685519.db2.gz OOGQYBCPJMSPPK-UHFFFAOYSA-N -1 3 312.369 2.806 20 10 DFCDHM COCC[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000272571659 130042063 /nfs/dbraw/zinc/04/20/63/130042063.db2.gz OQUCBRABMGMNTH-CYBMUJFWSA-N -1 3 306.318 2.761 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(C)nc2)c1 ZINC000273360857 130111173 /nfs/dbraw/zinc/11/11/73/130111173.db2.gz CWULZISJSZUWHN-GFCCVEGCSA-N -1 3 300.358 2.733 20 10 DFCDHM C[C@@H](NCC(=O)N(C)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000273588358 130140890 /nfs/dbraw/zinc/14/08/90/130140890.db2.gz OLCDKCAAANTYCD-GFCCVEGCSA-N -1 3 308.397 2.973 20 10 DFCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278227045 130672838 /nfs/dbraw/zinc/67/28/38/130672838.db2.gz JRNSPVPGBOOCIB-JGVFFNPUSA-N -1 3 305.205 2.874 20 10 DFCDHM CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000284733074 131107776 /nfs/dbraw/zinc/10/77/76/131107776.db2.gz UAEZQKGGGXQONO-YQQAZPJKSA-N -1 3 309.381 2.547 20 10 DFCDHM Cc1noc(C)c1C(C)(C)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000285372863 131161807 /nfs/dbraw/zinc/16/18/07/131161807.db2.gz CCRBOXRFMFCRRD-UHFFFAOYSA-N -1 3 305.334 2.930 20 10 DFCDHM CCCN(Cc1oncc1C(=O)OC)Cc1ccccc1[O-] ZINC000286403637 131234414 /nfs/dbraw/zinc/23/44/14/131234414.db2.gz LMBDWYCPBPBFGC-UHFFFAOYSA-N -1 3 304.346 2.579 20 10 DFCDHM CCC[C@]1(CO)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000288715900 131336170 /nfs/dbraw/zinc/33/61/70/131336170.db2.gz FOPGTYVBCLWPMJ-KRWDZBQOSA-N -1 3 309.381 2.718 20 10 DFCDHM CN(CC(=O)NCCC1=CCCCC1)Cc1ccccc1[O-] ZINC000109769370 426032339 /nfs/dbraw/zinc/03/23/39/426032339.db2.gz MMQFCMHJKRIQAO-UHFFFAOYSA-N -1 3 302.418 2.831 20 10 DFCDHM CN(Cc1ccccc1[O-])[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000109771578 426032589 /nfs/dbraw/zinc/03/25/89/426032589.db2.gz LPIDQFKBHJOSIG-SFHVURJKSA-N -1 3 310.397 2.844 20 10 DFCDHM COc1ccc(C)cc1NC(=O)CN(C)Cc1ccccc1[O-] ZINC000109771918 426032988 /nfs/dbraw/zinc/03/29/88/426032988.db2.gz DTXHAZLASHACGG-UHFFFAOYSA-N -1 3 314.385 2.780 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@@H](C)OC ZINC000075417044 426072603 /nfs/dbraw/zinc/07/26/03/426072603.db2.gz SVSZFXHBMQBROL-SECBINFHSA-N -1 3 316.195 2.538 20 10 DFCDHM CN(Cc1ccccc1[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000112347744 426073062 /nfs/dbraw/zinc/07/30/62/426073062.db2.gz FMOGMEKGPYWYAM-INIZCTEOSA-N -1 3 314.360 2.769 20 10 DFCDHM C[C@H](C(=O)NCCc1cccs1)N(C)Cc1ccccc1[O-] ZINC000114721352 426143803 /nfs/dbraw/zinc/14/38/03/426143803.db2.gz LTBVFGNVQQMTOX-CYBMUJFWSA-N -1 3 318.442 2.633 20 10 DFCDHM Cc1nnnn1-c1cccc(N[C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000170789397 426150348 /nfs/dbraw/zinc/15/03/48/426150348.db2.gz VADQSOCJDVGWLK-JTQLQIEISA-N -1 3 313.336 2.989 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c([O-])c1 ZINC000091927910 426344418 /nfs/dbraw/zinc/34/44/18/426344418.db2.gz YYUTVSIOUWCEPO-ROUUACIJSA-N -1 3 321.417 2.561 20 10 DFCDHM C[C@H]1OCCN(Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000093417626 426355653 /nfs/dbraw/zinc/35/56/53/426355653.db2.gz WWRNOWKQFJODBZ-NXEZZACHSA-N -1 3 300.196 2.764 20 10 DFCDHM CCOC[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093838866 426357526 /nfs/dbraw/zinc/35/75/26/426357526.db2.gz GPOFDWBUQYJREB-SNVBAGLBSA-N -1 3 314.769 2.812 20 10 DFCDHM CCOC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000153994791 426416728 /nfs/dbraw/zinc/41/67/28/426416728.db2.gz USKZYCDGEVRYLY-NSHDSACASA-N -1 3 312.797 2.756 20 10 DFCDHM Cc1nnnn1-c1cccc(N[C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000176984940 426430526 /nfs/dbraw/zinc/43/05/26/426430526.db2.gz RSACLIIKKXYVLA-JTQLQIEISA-N -1 3 313.336 2.989 20 10 DFCDHM C[C@@H](NCC(=O)NCC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186505682 426540436 /nfs/dbraw/zinc/54/04/36/426540436.db2.gz UXCZRMJHVCKUHG-MRVPVSSYSA-N -1 3 317.216 2.876 20 10 DFCDHM O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000186843866 426597972 /nfs/dbraw/zinc/59/79/72/426597972.db2.gz YFJVJOQXCGCGKX-RKDXNWHRSA-N -1 3 303.280 2.949 20 10 DFCDHM COc1ccccc1CN(C(=O)c1cccc(O)c1[O-])C1CC1 ZINC000186976275 426615731 /nfs/dbraw/zinc/61/57/31/426615731.db2.gz WJXHFIXXPSAOJT-UHFFFAOYSA-N -1 3 313.353 2.911 20 10 DFCDHM CC[C@@]1(CO)CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000187624081 426677530 /nfs/dbraw/zinc/67/75/30/426677530.db2.gz CFZRFAYUGCUIKL-QGZVFWFLSA-N -1 3 309.381 2.718 20 10 DFCDHM O=C(C1CCN(Cc2cc(F)ccc2[O-])CC1)C(F)(F)F ZINC000187656489 426679567 /nfs/dbraw/zinc/67/95/67/426679567.db2.gz IAAFWYMXMPKJMC-UHFFFAOYSA-N -1 3 305.271 2.875 20 10 DFCDHM C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1[O-] ZINC000179555728 426800693 /nfs/dbraw/zinc/80/06/93/426800693.db2.gz UUXDIKHULRZGES-ZDUSSCGKSA-N -1 3 319.426 2.989 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCCN(CC(F)F)CC1 ZINC000290607984 426805069 /nfs/dbraw/zinc/80/50/69/426805069.db2.gz WIZLULKLTSZGQL-UHFFFAOYSA-N -1 3 304.768 2.818 20 10 DFCDHM CC(C)C(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179796885 426819135 /nfs/dbraw/zinc/81/91/35/426819135.db2.gz DIIGNPOJPCIEGJ-UHFFFAOYSA-N -1 3 310.825 2.736 20 10 DFCDHM CCCOc1ccc(CNCc2ncnn2C(C)(C)C)c([O-])c1 ZINC000282191317 426850000 /nfs/dbraw/zinc/85/00/00/426850000.db2.gz BLZSDMNSSLORHV-UHFFFAOYSA-N -1 3 318.421 2.817 20 10 DFCDHM C[C@@H](N[C@H](C)c1cc(Cl)c(Cl)cc1[O-])C(=O)NCCF ZINC000282461733 426914956 /nfs/dbraw/zinc/91/49/56/426914956.db2.gz FYZSPHAVFOEEJA-HTQZYQBOSA-N -1 3 323.195 2.824 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@H](OC(=O)N(C)C)C2)c1[O-] ZINC000295209242 426864530 /nfs/dbraw/zinc/86/45/30/426864530.db2.gz ZVJCGDFWMRUNPU-ZDUSSCGKSA-N -1 3 312.797 2.627 20 10 DFCDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])CC[C@H]1O ZINC000276011723 426964817 /nfs/dbraw/zinc/96/48/17/426964817.db2.gz PYXACGLDQRCGJD-CYBMUJFWSA-N -1 3 314.223 2.748 20 10 DFCDHM CCn1cc([C@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])cn1 ZINC000296103856 427075963 /nfs/dbraw/zinc/07/59/63/427075963.db2.gz QDVKIWSTZAKPJF-JTQLQIEISA-N -1 3 305.353 2.801 20 10 DFCDHM C[C@H](NCc1ccc(N(C)C)nc1)c1ccc(F)c(F)c1[O-] ZINC000276933605 427126601 /nfs/dbraw/zinc/12/66/01/427126601.db2.gz ONRFZJVGVMVZAJ-JTQLQIEISA-N -1 3 307.344 2.982 20 10 DFCDHM CC(C)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277361031 427177634 /nfs/dbraw/zinc/17/76/34/427177634.db2.gz MJAYWWHXZJZDCB-UHFFFAOYSA-N -1 3 310.781 2.856 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@](CO)(C(C)C)C2)c1[O-] ZINC000292921811 427205459 /nfs/dbraw/zinc/20/54/59/427205459.db2.gz BWEUDMOGLDOPHA-SFHVURJKSA-N -1 3 323.408 2.964 20 10 DFCDHM C[C@@H]1CCC[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277643484 427273209 /nfs/dbraw/zinc/27/32/09/427273209.db2.gz DOXZLAGHRXSDAE-MFKMUULPSA-N -1 3 322.792 2.998 20 10 DFCDHM CC[C@@H](C)NC(=O)[C@@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000293624543 427384056 /nfs/dbraw/zinc/38/40/56/427384056.db2.gz MTQRXXGUQUNIOP-RKDXNWHRSA-N -1 3 302.777 2.578 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cc[nH]n2)c1[O-] ZINC000278706778 427450324 /nfs/dbraw/zinc/45/03/24/427450324.db2.gz UCCJNGRLVAIRSV-OAHLLOKOSA-N -1 3 303.337 2.794 20 10 DFCDHM CCN(C)C(=O)CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278837339 427470817 /nfs/dbraw/zinc/47/08/17/427470817.db2.gz UOLKSEGPUKJLMA-QMMMGPOBSA-N -1 3 305.205 2.828 20 10 DFCDHM COc1c([O-])c(CN2CC[C@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278616558 427446816 /nfs/dbraw/zinc/44/68/16/427446816.db2.gz FHEFAMMLRIWQOC-ZDUSSCGKSA-N -1 3 324.377 2.556 20 10 DFCDHM COc1cccc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278946017 427511175 /nfs/dbraw/zinc/51/11/75/427511175.db2.gz YQPVPCNZFSTFQE-UHFFFAOYSA-N -1 3 318.329 2.607 20 10 DFCDHM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271312500 427490649 /nfs/dbraw/zinc/49/06/49/427490649.db2.gz MFRYMZAJTPIMOZ-UHFFFAOYSA-N -1 3 319.382 2.826 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1[O-] ZINC000271903979 427593079 /nfs/dbraw/zinc/59/30/79/427593079.db2.gz ZXRLOBMQAXPAED-QQKBFRNYSA-N -1 3 301.839 2.695 20 10 DFCDHM C[C@H](NCC(=O)NCC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193272672 427679965 /nfs/dbraw/zinc/67/99/65/427679965.db2.gz VFXYJEXNWKHWCD-QMMMGPOBSA-N -1 3 317.216 2.876 20 10 DFCDHM COCC[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(C)o1 ZINC000279828583 427718224 /nfs/dbraw/zinc/71/82/24/427718224.db2.gz MZLMLFDWNCNPMU-LBPRGKRZSA-N -1 3 305.330 2.507 20 10 DFCDHM CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000186029735 427743061 /nfs/dbraw/zinc/74/30/61/427743061.db2.gz SVXXEAKVIDGOOM-NXEZZACHSA-N -1 3 305.827 2.519 20 10 DFCDHM Cc1nnc([C@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)o1 ZINC000369680327 428034599 /nfs/dbraw/zinc/03/45/99/428034599.db2.gz FCPWOTPYHKXFJM-CYBMUJFWSA-N -1 3 323.780 2.619 20 10 DFCDHM CC[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000369879107 428080825 /nfs/dbraw/zinc/08/08/25/428080825.db2.gz XCUIXCQLWAEMAZ-RDJZCZTQSA-N -1 3 309.381 2.691 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2c2ccco2)c1[O-] ZINC000370168307 428150572 /nfs/dbraw/zinc/15/05/72/428150572.db2.gz CCGDEKILZSFKIH-OAHLLOKOSA-N -1 3 319.332 2.900 20 10 DFCDHM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2[O-])no1 ZINC000371663357 428397149 /nfs/dbraw/zinc/39/71/49/428397149.db2.gz CYASLJDJQITDLN-ZDUSSCGKSA-N -1 3 302.330 2.680 20 10 DFCDHM C[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000371248122 428379649 /nfs/dbraw/zinc/37/96/49/428379649.db2.gz UJHBZAZGKATLBW-BYCMXARLSA-N -1 3 322.836 2.782 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@H](COC(C)C)C2)c1[O-] ZINC000372118005 428415255 /nfs/dbraw/zinc/41/52/55/428415255.db2.gz ZMZYFQYUZFPVOL-HNNXBMFYSA-N -1 3 313.825 2.980 20 10 DFCDHM Cc1nc(C)n(C[C@H]2CCCCN2Cc2cccc(F)c2[O-])n1 ZINC000361050408 428532352 /nfs/dbraw/zinc/53/23/52/428532352.db2.gz HCKCSEDXZOJSEB-OAHLLOKOSA-N -1 3 318.396 2.794 20 10 DFCDHM O=C([C@@H]1CCCCN1Cc1cc(F)ccc1[O-])N1CCCC1 ZINC000361049384 428533380 /nfs/dbraw/zinc/53/33/80/428533380.db2.gz CMILEFZMKBBEHW-HNNXBMFYSA-N -1 3 306.381 2.508 20 10 DFCDHM NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(Cl)ccc1[O-] ZINC000362614149 428794666 /nfs/dbraw/zinc/79/46/66/428794666.db2.gz DSSMRVAAXQFCDP-BPNCWPANSA-N -1 3 308.809 2.664 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@H](C2CC2)C1 ZINC000364496248 429213602 /nfs/dbraw/zinc/21/36/02/429213602.db2.gz RVOUGTVHVJNJSK-AWEZNQCLSA-N -1 3 312.207 2.766 20 10 DFCDHM C[C@@H]1OCC[C@]12CN(Cc1cc(Cl)ccc1[O-])C[C@@H](C)O2 ZINC000365751450 429367290 /nfs/dbraw/zinc/36/72/90/429367290.db2.gz CETDPMYZDWRYQJ-WQGACYEGSA-N -1 3 311.809 2.814 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000366174625 429430314 /nfs/dbraw/zinc/43/03/14/429430314.db2.gz ZLGKZKPZHVVMQB-CYBMUJFWSA-N -1 3 323.352 2.535 20 10 DFCDHM [O-]c1cccc(Cl)c1CNc1cnccc1-n1ccnn1 ZINC000367465294 429655526 /nfs/dbraw/zinc/65/55/26/429655526.db2.gz JMFCYAWIBVZDCQ-UHFFFAOYSA-N -1 3 301.737 2.633 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1Cc2ccccc2C[C@H]1C(N)=O ZINC000368586791 429871739 /nfs/dbraw/zinc/87/17/39/429871739.db2.gz ZPFYARURNSKXHX-IRXDYDNUSA-N -1 3 310.397 2.756 20 10 DFCDHM CC[C@H](NCCS(=O)(=O)C(C)C)c1cccc(Cl)c1[O-] ZINC000290504886 288042096 /nfs/dbraw/zinc/04/20/96/288042096.db2.gz YIPLDXPWPLVSRJ-ZDUSSCGKSA-N -1 3 319.854 2.910 20 10 DFCDHM COc1ccc(CCCN(C)C(=O)c2cccc(O)c2[O-])cc1 ZINC000192989168 333296800 /nfs/dbraw/zinc/29/68/00/333296800.db2.gz VEUSSTOYZUTLAT-UHFFFAOYSA-N -1 3 315.369 2.811 20 10 DFCDHM Cc1nnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)s1 ZINC000271482513 334023733 /nfs/dbraw/zinc/02/37/33/334023733.db2.gz XZZPOWSSUYJQPW-CQSZACIVSA-N -1 3 319.430 2.733 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000273459307 334046803 /nfs/dbraw/zinc/04/68/03/334046803.db2.gz HUTPZSIGKQQJCY-HZMBPMFUSA-N -1 3 315.373 2.630 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000366892675 335309472 /nfs/dbraw/zinc/30/94/72/335309472.db2.gz KUUHGABIHCTURI-CFVMTHIKSA-N -1 3 319.401 2.562 20 10 DFCDHM [O-]c1cccc(Cl)c1CN[C@H]1COc2ccccc2[C@H]1O ZINC000367282086 336598181 /nfs/dbraw/zinc/59/81/81/336598181.db2.gz GNIANHXQRTXZJT-XJKSGUPXSA-N -1 3 305.761 2.630 20 10 DFCDHM O=C(N[C@H]1C[C@H](c2ccccc2F)C1)c1cccc(O)c1[O-] ZINC000373914820 336977107 /nfs/dbraw/zinc/97/71/07/336977107.db2.gz ZRQDLIAGRXLJOB-XYPYZODXSA-N -1 3 301.317 2.913 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(C3CCOCC3)CC2)c([O-])c1O ZINC000378559716 337075708 /nfs/dbraw/zinc/07/57/08/337075708.db2.gz LNZCHATWTUGSGI-UHFFFAOYSA-N -1 3 319.401 2.685 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(c3ccccn3)CC2)c([O-])c1O ZINC000378566865 337075742 /nfs/dbraw/zinc/07/57/42/337075742.db2.gz UFBVKRHUCPJHQZ-UHFFFAOYSA-N -1 3 312.369 2.821 20 10 DFCDHM Cc1ccc(C(=O)Nc2cccc3c2OCCC3=O)c([O-])c1O ZINC000378594292 337076266 /nfs/dbraw/zinc/07/62/66/337076266.db2.gz WZBNVHIHTOVRBF-UHFFFAOYSA-N -1 3 313.309 2.624 20 10 DFCDHM O=C(c1cccs1)N1CCCN(Cc2ccccc2[O-])CC1 ZINC000179574861 337170214 /nfs/dbraw/zinc/17/02/14/337170214.db2.gz PIVCUOPNTFLSNQ-UHFFFAOYSA-N -1 3 316.426 2.802 20 10 DFCDHM C[C@H](N[C@@H](C)c1cc(F)ccc1[O-])c1nnc2n1CCCC2 ZINC000185586393 337249303 /nfs/dbraw/zinc/24/93/03/337249303.db2.gz FDLIGPSMTVMHRK-QWRGUYRKSA-N -1 3 304.369 2.871 20 10 DFCDHM Cc1ccc(C(=O)N2CC3(CCCC3)OC(C)(C)C2)c([O-])c1O ZINC000189949838 337284088 /nfs/dbraw/zinc/28/40/88/337284088.db2.gz UBACKXNCUDFYIN-UHFFFAOYSA-N -1 3 319.401 2.970 20 10 DFCDHM CO[C@H]1C[C@@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2[O-])C1 ZINC000190146118 337285213 /nfs/dbraw/zinc/28/52/13/337285213.db2.gz ONWNNEPQVKQBPW-STQMWFEESA-N -1 3 323.780 2.699 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1Cc2ccccc2[C@H]1O ZINC000191086234 337293664 /nfs/dbraw/zinc/29/36/64/337293664.db2.gz ZFBUDFLKNVWLKO-XJKSGUPXSA-N -1 3 307.752 2.933 20 10 DFCDHM Cn1cnnc1C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000091795098 337896282 /nfs/dbraw/zinc/89/62/82/337896282.db2.gz CQZNYUVYWPANGL-UHFFFAOYSA-N -1 3 306.797 2.554 20 10 DFCDHM CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000276403046 341656310 /nfs/dbraw/zinc/65/63/10/341656310.db2.gz WXNHNXIGMZOZDW-JTQLQIEISA-N -1 3 303.280 2.901 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@@H](C)O)c1[O-] ZINC000267393833 518277722 /nfs/dbraw/zinc/27/77/22/518277722.db2.gz PKBVSDYEJJIZDM-IAQYHMDHSA-N -1 3 311.809 2.984 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN(C)CCc2noc(C)n2)c1[O-] ZINC000267431508 518278291 /nfs/dbraw/zinc/27/82/91/518278291.db2.gz YSIDSWAJLFKRCV-UHFFFAOYSA-N -1 3 323.780 2.614 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](C)C(=O)OC(C)C)c1[O-] ZINC000129568260 518284232 /nfs/dbraw/zinc/28/42/32/518284232.db2.gz RLXUDSFNASFPLM-SNVBAGLBSA-N -1 3 311.353 2.506 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nc[nH]n2)c1[O-] ZINC000182703600 518284647 /nfs/dbraw/zinc/28/46/47/518284647.db2.gz ARQBBKMHOBTSRC-CQSZACIVSA-N -1 3 318.352 2.579 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2c2nnc[nH]2)c1[O-] ZINC000182703600 518284652 /nfs/dbraw/zinc/28/46/52/518284652.db2.gz ARQBBKMHOBTSRC-CQSZACIVSA-N -1 3 318.352 2.579 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC(c3ncc[nH]3)CC2)c1[O-] ZINC000267430787 518285359 /nfs/dbraw/zinc/28/53/59/518285359.db2.gz DADNBNXCBMUNIJ-UHFFFAOYSA-N -1 3 317.364 2.837 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H]3CCCC[C@H]32)c1[O-] ZINC000249890927 518287979 /nfs/dbraw/zinc/28/79/79/518287979.db2.gz SUZWHHNOPIFCNH-HZPDHXFCSA-N -1 3 307.365 2.877 20 10 DFCDHM Cc1ccc(C(=O)N(C)[C@@H]2CCCc3cccnc32)c([O-])c1O ZINC000364923796 526065079 /nfs/dbraw/zinc/06/50/79/526065079.db2.gz APSFOFVCIKAIRU-CQSZACIVSA-N -1 3 312.369 2.951 20 10 DFCDHM Cc1ccc(C(=O)NCc2nc(C3CC3)cs2)c([O-])c1O ZINC000182825182 526189933 /nfs/dbraw/zinc/18/99/33/526189933.db2.gz SJWLPHJYBRXOQM-UHFFFAOYSA-N -1 3 304.371 2.670 20 10 DFCDHM Cc1ccc(C(=O)N[C@H](CCCO)c2ccccc2)c([O-])c1O ZINC000182821112 526210916 /nfs/dbraw/zinc/21/09/16/526210916.db2.gz YBSAIXOSPJRSQL-OAHLLOKOSA-N -1 3 315.369 2.650 20 10 DFCDHM COc1ccc(O)c(CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC000833733597 605546683 /nfs/dbraw/zinc/54/66/83/605546683.db2.gz LATCNELNKZKLGI-UHFFFAOYSA-N -1 3 313.353 2.657 20 10 DFCDHM C[C@H](NCc1cc(F)ccc1[O-])c1nnc2n1CCCCC2 ZINC000361051005 398642187 /nfs/dbraw/zinc/64/21/87/398642187.db2.gz JDQDHDBKHSCVDP-NSHDSACASA-N -1 3 304.369 2.700 20 10 DFCDHM C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)NCCF ZINC000282878933 299345215 /nfs/dbraw/zinc/34/52/15/299345215.db2.gz VOVPCIYSKSVPMH-YUMQZZPRSA-N -1 3 323.195 2.824 20 10 DFCDHM C[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000290207510 299428318 /nfs/dbraw/zinc/42/83/18/299428318.db2.gz HCEJAWIRVHYIJB-UOWOHEGISA-N -1 3 321.323 2.816 20 10 DFCDHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cccc(F)c1[O-])C[C@H](C)O2 ZINC000366811528 335019377 /nfs/dbraw/zinc/01/93/77/335019377.db2.gz RAPPCNYAZHFOEM-IGCXYCKISA-N -1 3 309.381 2.690 20 10 DFCDHM CN(Cc1ccc([S@](C)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272309003 130019316 /nfs/dbraw/zinc/01/93/16/130019316.db2.gz RGQFVBHKYIGOCW-NRFANRHFSA-N -1 3 307.390 2.901 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2ccccn2)c1 ZINC000273388799 130116212 /nfs/dbraw/zinc/11/62/12/130116212.db2.gz KECVBEWNBPFTPS-NWDGAFQWSA-N -1 3 300.358 2.986 20 10 DFCDHM C[C@@H](N[C@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273542888 130133416 /nfs/dbraw/zinc/13/34/16/130133416.db2.gz YQEGVRFCYZQLCV-MEBBXXQBSA-N -1 3 320.320 2.824 20 10 DFCDHM Cc1nn(C)c(C)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273562197 130136295 /nfs/dbraw/zinc/13/62/95/130136295.db2.gz IIFRTAGTGBPALH-SECBINFHSA-N -1 3 304.350 2.502 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2cn(C)nc2C)c1 ZINC000273607280 130143295 /nfs/dbraw/zinc/14/32/95/130143295.db2.gz UNUMNRHYCVBRSF-WDEREUQCSA-N -1 3 317.389 2.633 20 10 DFCDHM Cn1ccnc1[C@H](NCc1cccc(F)c1[O-])C1CCOCC1 ZINC000284526688 131089073 /nfs/dbraw/zinc/08/90/73/131089073.db2.gz FFWARZNFIJTGTQ-OAHLLOKOSA-N -1 3 319.380 2.522 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC(F)F)c1[O-] ZINC000286658998 131244854 /nfs/dbraw/zinc/24/48/54/131244854.db2.gz ZSVJADNLXJIKSV-GFCCVEGCSA-N -1 3 317.307 2.590 20 10 DFCDHM CC[C@@H](N[C@H](C)C(=O)NCCF)c1cccc(Cl)c1[O-] ZINC000287096276 131263733 /nfs/dbraw/zinc/26/37/33/131263733.db2.gz PTKTZEAXJWVAST-BXKDBHETSA-N -1 3 302.777 2.561 20 10 DFCDHM CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287823204 131301803 /nfs/dbraw/zinc/30/18/03/131301803.db2.gz VICCQTWFFFQDHR-ZIAGYGMSSA-N -1 3 309.797 2.553 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289529628 131393474 /nfs/dbraw/zinc/39/34/74/131393474.db2.gz HPDNMPWTTFCLKW-ZDUSSCGKSA-N -1 3 307.287 2.811 20 10 DFCDHM CC(C)CN(CC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132892982 426170925 /nfs/dbraw/zinc/17/09/25/426170925.db2.gz NNNZTAZUMIVIHZ-UHFFFAOYSA-N -1 3 305.205 2.642 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000132769398 426171295 /nfs/dbraw/zinc/17/12/95/426171295.db2.gz LKTRRJPJIPJKPK-GXTWGEPZSA-N -1 3 312.207 2.908 20 10 DFCDHM CCCOc1ccc(CN2CCC[C@@H]2c2nncn2C)c([O-])c1 ZINC000093810226 426357513 /nfs/dbraw/zinc/35/75/13/426357513.db2.gz XOPDIRMZYFFPKY-OAHLLOKOSA-N -1 3 316.405 2.647 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000153977540 426416237 /nfs/dbraw/zinc/41/62/37/426416237.db2.gz NDNWFLPWMYLKNR-MRXNPFEDSA-N -1 3 309.793 2.861 20 10 DFCDHM Cc1cnc([C@@H](C)CNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000186395026 426519184 /nfs/dbraw/zinc/51/91/84/426519184.db2.gz DUHDJVPJCVYYPY-VIFPVBQESA-N -1 3 306.387 2.705 20 10 DFCDHM Cc1ccc(C(=O)N(C)CCOc2ccccc2C)c([O-])c1O ZINC000177663807 426502044 /nfs/dbraw/zinc/50/20/44/426502044.db2.gz YZJXRRGAZJWTSF-UHFFFAOYSA-N -1 3 315.369 2.866 20 10 DFCDHM COc1c([O-])c(CN2CCO[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000280456466 426580214 /nfs/dbraw/zinc/58/02/14/426580214.db2.gz LUSJXNWCEXEIAM-CYBMUJFWSA-N -1 3 324.377 2.556 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@@H]1c1nccs1 ZINC000187144941 426633715 /nfs/dbraw/zinc/63/37/15/426633715.db2.gz AZOJHBXNCPSLTD-LLVKDONJSA-N -1 3 304.371 2.922 20 10 DFCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273437615 426664248 /nfs/dbraw/zinc/66/42/48/426664248.db2.gz XOGSHISVBKUUKB-HTQZYQBOSA-N -1 3 305.205 2.874 20 10 DFCDHM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000187472886 426665869 /nfs/dbraw/zinc/66/58/69/426665869.db2.gz PSTKGKAWYPESAB-BLLLJJGKSA-N -1 3 313.353 2.700 20 10 DFCDHM COc1cc(Cl)cc(CN[C@H](CCO)c2ccco2)c1[O-] ZINC000187528327 426670082 /nfs/dbraw/zinc/67/00/82/426670082.db2.gz RVZBAEXZGQMKBK-GFCCVEGCSA-N -1 3 311.765 2.861 20 10 DFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@H]2C1 ZINC000246807130 426866530 /nfs/dbraw/zinc/86/65/30/426866530.db2.gz QXLRPNOHIBYVCX-YCPHGPKFSA-N -1 3 311.809 2.814 20 10 DFCDHM [O-]c1c(F)cccc1CN[C@]1(CO)CCCc2ccccc21 ZINC000282424017 426910534 /nfs/dbraw/zinc/91/05/34/426910534.db2.gz SUNQLGSTSDDNHG-SFHVURJKSA-N -1 3 301.361 2.845 20 10 DFCDHM CCc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1[O-] ZINC000291715747 426962449 /nfs/dbraw/zinc/96/24/49/426962449.db2.gz QINUEDLITQCBGR-NSHDSACASA-N -1 3 315.369 2.727 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCCc3c[nH]nc32)c1[O-] ZINC000268883953 427139403 /nfs/dbraw/zinc/13/94/03/427139403.db2.gz YQALCLWLIBTGMA-NSHDSACASA-N -1 3 322.752 2.844 20 10 DFCDHM Cn1ccnc1[C@@H](NCc1cccc(F)c1[O-])C1CCOCC1 ZINC000284526686 427196026 /nfs/dbraw/zinc/19/60/26/427196026.db2.gz FFWARZNFIJTGTQ-HNNXBMFYSA-N -1 3 319.380 2.522 20 10 DFCDHM C[C@H]1CCC[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277643465 427272847 /nfs/dbraw/zinc/27/28/47/427272847.db2.gz DOXZLAGHRXSDAE-GWCFXTLKSA-N -1 3 322.792 2.998 20 10 DFCDHM C[C@H](NCc1nncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278153694 427419223 /nfs/dbraw/zinc/41/92/23/427419223.db2.gz AKJANLDKGYQMTD-ZETCQYMHSA-N -1 3 301.177 2.678 20 10 DFCDHM COc1c([O-])c(CN(C)Cc2ccc(C)o2)ccc1[N+](=O)[O-] ZINC000278277072 427426636 /nfs/dbraw/zinc/42/66/36/427426636.db2.gz SJXGWRPXDQIRDH-UHFFFAOYSA-N -1 3 306.318 2.842 20 10 DFCDHM COc1c([O-])c(CNc2ccc3c(c2)CCO3)ccc1[N+](=O)[O-] ZINC000278520239 427442397 /nfs/dbraw/zinc/44/23/97/427442397.db2.gz RWIBOQKRTURFTC-UHFFFAOYSA-N -1 3 316.313 2.856 20 10 DFCDHM COc1c([O-])c(CN[C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000278575162 427445564 /nfs/dbraw/zinc/44/55/64/427445564.db2.gz DKKVPPRKRPBVPR-SNVBAGLBSA-N -1 3 303.318 2.555 20 10 DFCDHM COC[C@@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccco1 ZINC000184577618 427492374 /nfs/dbraw/zinc/49/23/74/427492374.db2.gz BKBAUNVQIRQQLS-CQSZACIVSA-N -1 3 307.321 2.804 20 10 DFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2ccsc2)O1 ZINC000193133652 427671875 /nfs/dbraw/zinc/67/18/75/427671875.db2.gz BJWUMNFYQFJEDO-IINYFYTJSA-N -1 3 319.382 2.762 20 10 DFCDHM CC(C)(C)Oc1ccc(CNC(=O)c2cccc(O)c2[O-])cn1 ZINC000193156010 427675432 /nfs/dbraw/zinc/67/54/32/427675432.db2.gz AOSHPLVZJGQQNP-UHFFFAOYSA-N -1 3 316.357 2.600 20 10 DFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](c2ccccc2)CO1 ZINC000185767599 427704216 /nfs/dbraw/zinc/70/42/16/427704216.db2.gz IXNYEKLCQJZOTO-WFASDCNBSA-N -1 3 313.353 2.700 20 10 DFCDHM O=C(C=Cc1cncc([O-])c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000185820176 427715509 /nfs/dbraw/zinc/71/55/09/427715509.db2.gz YBAYCVNVEXZJKZ-LVDDQXARSA-N -1 3 320.348 2.907 20 10 DFCDHM CC(C)c1nnc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)o1 ZINC000279632204 427716501 /nfs/dbraw/zinc/71/65/01/427716501.db2.gz IDMNXWAJPRZMEW-AWEZNQCLSA-N -1 3 321.352 2.611 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCOC2(CCOCC2)CC1 ZINC000372127945 428417510 /nfs/dbraw/zinc/41/75/10/428417510.db2.gz HYQZIPLJMQJBIP-UHFFFAOYSA-N -1 3 311.809 2.817 20 10 DFCDHM COc1cc(Cl)cc(CN2CCn3cc(C)nc3C2)c1[O-] ZINC000372943586 428509050 /nfs/dbraw/zinc/50/90/50/428509050.db2.gz GZRMJDVURLJECF-UHFFFAOYSA-N -1 3 307.781 2.575 20 10 DFCDHM CCC(=O)N1CCCN(Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000373224588 428523715 /nfs/dbraw/zinc/52/37/15/428523715.db2.gz WIRTYXKUMKKONC-UHFFFAOYSA-N -1 3 310.825 2.798 20 10 DFCDHM O=C([C@H]1CCCCN1Cc1cccc(F)c1[O-])N1CCCC1 ZINC000361050954 428532703 /nfs/dbraw/zinc/53/27/03/428532703.db2.gz IOUDYSHLQAGUJI-OAHLLOKOSA-N -1 3 306.381 2.508 20 10 DFCDHM Cc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2[O-])n1 ZINC000374285311 428671953 /nfs/dbraw/zinc/67/19/53/428671953.db2.gz YXDOWKNCNZCOOM-HNNXBMFYSA-N -1 3 311.385 2.699 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC2(CCO2)CC1 ZINC000374320909 428674624 /nfs/dbraw/zinc/67/46/24/428674624.db2.gz NTDZMIHNYRNUFU-UHFFFAOYSA-N -1 3 312.207 2.910 20 10 DFCDHM [O-]c1cccc(Cl)c1CNc1ncccc1N1CCOCC1 ZINC000364066472 429166258 /nfs/dbraw/zinc/16/62/58/429166258.db2.gz MRMRTFIWWVAGDG-UHFFFAOYSA-N -1 3 319.792 2.889 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](c2nnc[nH]2)C1 ZINC000364506763 429216031 /nfs/dbraw/zinc/21/60/31/429216031.db2.gz RQMMSWQEDMSNPT-SECBINFHSA-N -1 3 310.760 2.682 20 10 DFCDHM CN1CCc2cc(CNC(=O)c3cc([O-])ccc3Cl)ccc21 ZINC000365627130 429355081 /nfs/dbraw/zinc/35/50/81/429355081.db2.gz RBWKVIQJDDRQHD-UHFFFAOYSA-N -1 3 316.788 2.968 20 10 DFCDHM Cc1ccc(C(=O)N2CC(C)(C)O[C@@H]3CCC[C@H]32)c([O-])c1O ZINC000369106638 429912879 /nfs/dbraw/zinc/91/28/79/429912879.db2.gz KKDQVZFKRCVPSB-CHWSQXEVSA-N -1 3 305.374 2.578 20 10 DFCDHM Cc1c(/C=C/C(=O)N2CC[C@H](C)c3cccc([O-])c32)cnn1C ZINC000186262628 280197002 /nfs/dbraw/zinc/19/70/02/280197002.db2.gz VVEIJQAVLOUEAO-GUOLPTJISA-N -1 3 311.385 2.988 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1COc2ccccc2[C@H]1O ZINC000293780949 335117560 /nfs/dbraw/zinc/11/75/60/335117560.db2.gz BUVHZCBQVBBATJ-CZUORRHYSA-N -1 3 323.751 2.769 20 10 DFCDHM COc1ccc([C@@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000187439932 333232680 /nfs/dbraw/zinc/23/26/80/333232680.db2.gz DTGXCHHVACADTA-CYBMUJFWSA-N -1 3 313.353 2.736 20 10 DFCDHM COC(=O)[C@@H](CC(C)C)NCc1cc(Cl)cc(OC)c1[O-] ZINC000185205521 333368868 /nfs/dbraw/zinc/36/88/68/333368868.db2.gz QWMPPDCKQYDQEA-GFCCVEGCSA-N -1 3 315.797 2.732 20 10 DFCDHM CC[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000286248284 334152539 /nfs/dbraw/zinc/15/25/39/334152539.db2.gz UHEYFJXFFROZBQ-CYBMUJFWSA-N -1 3 317.426 2.785 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c([O-])c1O ZINC000366892677 335309620 /nfs/dbraw/zinc/30/96/20/335309620.db2.gz KUUHGABIHCTURI-YUELXQCFSA-N -1 3 319.401 2.562 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@](F)(c2ccccc2F)C1 ZINC000367235231 336550376 /nfs/dbraw/zinc/55/03/76/336550376.db2.gz ANOUYAVIBXIRRS-QGZVFWFLSA-N -1 3 319.307 2.948 20 10 DFCDHM COc1cccc(-n2cc(CN[C@@H](C)c3ccccc3[O-])nn2)c1 ZINC000367798642 336829763 /nfs/dbraw/zinc/82/97/63/336829763.db2.gz ALZDLXKLTRLIHC-ZDUSSCGKSA-N -1 3 324.384 2.832 20 10 DFCDHM Cc1ccc(C(=O)NCc2ncoc2-c2ccccc2)c([O-])c1O ZINC000371580580 336908297 /nfs/dbraw/zinc/90/82/97/336908297.db2.gz DKBHOZAXHYFAFS-UHFFFAOYSA-N -1 3 324.336 2.991 20 10 DFCDHM CCCOc1ccc(CN2CC[S@@](=O)CC[C@@H]2C)c([O-])c1 ZINC000376660759 337039307 /nfs/dbraw/zinc/03/93/07/337039307.db2.gz ZSWRNBSQURPYFP-ZSEKCTLFSA-N -1 3 311.447 2.524 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H](C[C@H]3CCOC3)C2)c([O-])c1O ZINC000376840167 337042557 /nfs/dbraw/zinc/04/25/57/337042557.db2.gz CBBAXTMTCXBMSI-UONOGXRCSA-N -1 3 319.401 2.685 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCOC[C@H]1c1noc(C)n1 ZINC000377548083 337054866 /nfs/dbraw/zinc/05/48/66/337054866.db2.gz FKDOVVRAHFNTLP-KGLIPLIRSA-N -1 3 303.362 2.608 20 10 DFCDHM CCCOc1ccc(CN2CCOC[C@@H]2[C@H]2CCCO2)c([O-])c1 ZINC000377708701 337059469 /nfs/dbraw/zinc/05/94/69/337059469.db2.gz XOGXJMBEKAXBEZ-SJLPKXTDSA-N -1 3 321.417 2.561 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000175588636 337148136 /nfs/dbraw/zinc/14/81/36/337148136.db2.gz FKZCKUNFJZCNNU-GFCCVEGCSA-N -1 3 317.364 2.837 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCOc3ccc(F)cc32)c([O-])c1O ZINC000182415013 337188267 /nfs/dbraw/zinc/18/82/67/337188267.db2.gz VYVAABYBQOAOBC-ZDUSSCGKSA-N -1 3 317.316 2.799 20 10 DFCDHM Cn1cc([C@@H]2CCN(Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000191381672 337296459 /nfs/dbraw/zinc/29/64/59/337296459.db2.gz GMVICZKQOZKQQF-SNVBAGLBSA-N -1 3 309.772 2.908 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCS[C@H]2COCC[C@@H]21 ZINC000191436123 337296980 /nfs/dbraw/zinc/29/69/80/337296980.db2.gz KXVUNMLXQPFEPT-AAEUAGOBSA-N -1 3 317.813 2.891 20 10 DFCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@@H]1c1ccccc1 ZINC000092675448 337907077 /nfs/dbraw/zinc/90/70/77/337907077.db2.gz HFNYYRLJPKWJRE-MRXNPFEDSA-N -1 3 316.788 2.719 20 10 DFCDHM CN1CCCN(C(=O)/C=C\c2cncc([O-])c2)c2ccccc21 ZINC000492522131 339902900 /nfs/dbraw/zinc/90/29/00/339902900.db2.gz SGWDWZMFQZXVJW-FPLPWBNLSA-N -1 3 309.369 2.674 20 10 DFCDHM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000182534610 521753712 /nfs/dbraw/zinc/75/37/12/521753712.db2.gz HWCAATBJMZPMPP-SJKOYZFVSA-N -1 3 307.390 2.682 20 10 DFCDHM Cc1cc(Cl)cc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000180260230 524860003 /nfs/dbraw/zinc/86/00/03/524860003.db2.gz NLKYJQMNWIVIOZ-GHMZBOCLSA-N -1 3 319.854 2.607 20 10 DFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1O ZINC000182476673 525287186 /nfs/dbraw/zinc/28/71/86/525287186.db2.gz AXNSVTOQLSOFOC-LLVKDONJSA-N -1 3 319.382 2.825 20 10 DFCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272314001 534903611 /nfs/dbraw/zinc/90/36/11/534903611.db2.gz SDMURDBLNBHURW-LBPRGKRZSA-N -1 3 310.369 2.630 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H]2c2cccn2C)c([O-])c1O ZINC000181821942 526106240 /nfs/dbraw/zinc/10/62/40/526106240.db2.gz FVKVHKUVXAYMPW-AWEZNQCLSA-N -1 3 300.358 2.722 20 10 DFCDHM Cc1ccc(C(=O)N[C@H](C)CCc2ccc(O)cc2)c([O-])c1O ZINC000182832134 526209194 /nfs/dbraw/zinc/20/91/94/526209194.db2.gz NRXONPWCXSETPM-GFCCVEGCSA-N -1 3 315.369 2.863 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000179926675 526348148 /nfs/dbraw/zinc/34/81/48/526348148.db2.gz WPOGHSUIVDLHEB-UHFFFAOYSA-N -1 3 321.783 2.902 20 10 DFCDHM CCOc1ccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)c([O-])c1 ZINC000820387639 598194065 /nfs/dbraw/zinc/19/40/65/598194065.db2.gz VNLJLWGWSSBFNT-UHFFFAOYSA-N -1 3 301.342 2.779 20 10 DFCDHM CN(C)c1ccc(CNCc2cccc(C(=O)[O-])c2)cc1F ZINC000820547977 598194105 /nfs/dbraw/zinc/19/41/05/598194105.db2.gz QWABQKSCRUBKJN-UHFFFAOYSA-N -1 3 302.349 2.880 20 10 DFCDHM CN(C(=O)[O-])[C@@H]1CCN(Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000827890787 603916074 /nfs/dbraw/zinc/91/60/74/603916074.db2.gz UABIOWIKUHRTPJ-CYBMUJFWSA-N -1 3 322.405 2.579 20 10 DFCDHM CN(C(=O)[O-])[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000827889395 603918854 /nfs/dbraw/zinc/91/88/54/603918854.db2.gz GKQJWOFCRCKKKL-ZDUSSCGKSA-N -1 3 300.358 2.730 20 10 DFCDHM CN(C(=O)[O-])[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000827889395 603918857 /nfs/dbraw/zinc/91/88/57/603918857.db2.gz GKQJWOFCRCKKKL-ZDUSSCGKSA-N -1 3 300.358 2.730 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110646 605562582 /nfs/dbraw/zinc/56/25/82/605562582.db2.gz XLWCDPOPWQFRTR-SWLSCSKDSA-N -1 3 322.380 2.886 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110646 605562590 /nfs/dbraw/zinc/56/25/90/605562590.db2.gz XLWCDPOPWQFRTR-SWLSCSKDSA-N -1 3 322.380 2.886 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110643 605562942 /nfs/dbraw/zinc/56/29/42/605562942.db2.gz XLWCDPOPWQFRTR-IUODEOHRSA-N -1 3 322.380 2.886 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000834110643 605562945 /nfs/dbraw/zinc/56/29/45/605562945.db2.gz XLWCDPOPWQFRTR-IUODEOHRSA-N -1 3 322.380 2.886 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000834106335 605563007 /nfs/dbraw/zinc/56/30/07/605563007.db2.gz JCQATXLTXJUFDK-UKRRQHHQSA-N -1 3 304.390 2.747 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000834106335 605563008 /nfs/dbraw/zinc/56/30/08/605563008.db2.gz JCQATXLTXJUFDK-UKRRQHHQSA-N -1 3 304.390 2.747 20 10 DFCDHM C[C@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093482457 398639701 /nfs/dbraw/zinc/63/97/01/398639701.db2.gz PISQMPDBDQCNDO-JOYOIKCWSA-N -1 3 314.769 2.689 20 10 DFCDHM COC[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093337597 193234454 /nfs/dbraw/zinc/23/44/54/193234454.db2.gz ADASYQAIEYWZSP-SNVBAGLBSA-N -1 3 314.769 2.812 20 10 DFCDHM Cc1ccc([C@H]2COCCN2Cc2cc3c(cc2[O-])OCO3)o1 ZINC000093460050 193255298 /nfs/dbraw/zinc/25/52/98/193255298.db2.gz IGFNBDNMOBBWTD-CYBMUJFWSA-N -1 3 317.341 2.596 20 10 DFCDHM CC(=O)c1cc(F)cc(CN[C@@H](CCO)c2ccccc2)c1[O-] ZINC000271817028 129965298 /nfs/dbraw/zinc/96/52/98/129965298.db2.gz VDIPVXPCXSZHIV-KRWDZBQOSA-N -1 3 317.360 2.947 20 10 DFCDHM CC1(C)CN=C(N2CCN(Cc3cccc(F)c3[O-])CC2)S1 ZINC000272300460 130017678 /nfs/dbraw/zinc/01/76/78/130017678.db2.gz PRLADYBZUXCFLP-UHFFFAOYSA-N -1 3 323.437 2.530 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCO[C@@H](Cc2ccccc2)C1 ZINC000272688857 130053846 /nfs/dbraw/zinc/05/38/46/130053846.db2.gz WRULEDSVMJAHPK-INIZCTEOSA-N -1 3 301.361 2.975 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2cnn(C)c2C)c1 ZINC000273390369 130115290 /nfs/dbraw/zinc/11/52/90/130115290.db2.gz KOXNAUVPLJXVLN-WDEREUQCSA-N -1 3 317.389 2.633 20 10 DFCDHM C[C@@H](NCc1nccn1C)c1cc(Br)ccc1[O-] ZINC000273593471 130142445 /nfs/dbraw/zinc/14/24/45/130142445.db2.gz PYIHRCXMNPIICY-SECBINFHSA-N -1 3 310.195 2.739 20 10 DFCDHM COc1cc(Cl)cc(CNC(C)(C)c2noc(C)n2)c1[O-] ZINC000273791353 130167665 /nfs/dbraw/zinc/16/76/65/130167665.db2.gz VGANMJFMYBCIGJ-UHFFFAOYSA-N -1 3 311.769 2.771 20 10 DFCDHM C[S@@](=O)C[C@@H](NCc1cccc(F)c1[O-])c1ccccc1 ZINC000274176985 130214069 /nfs/dbraw/zinc/21/40/69/130214069.db2.gz CJNMZQVYONBPNS-QVKFZJNVSA-N -1 3 307.390 2.741 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CCO)c2ccco2)c1 ZINC000274459822 130237908 /nfs/dbraw/zinc/23/79/08/130237908.db2.gz NYIKWJWXUYAGAY-FZMZJTMJSA-N -1 3 319.357 2.546 20 10 DFCDHM O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(O)c1[O-] ZINC000275571660 130340371 /nfs/dbraw/zinc/34/03/71/130340371.db2.gz IJQIQINOTQNKDE-GUYCJALGSA-N -1 3 313.353 2.605 20 10 DFCDHM C[C@H](NCc1cnnn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000287520342 131284647 /nfs/dbraw/zinc/28/46/47/131284647.db2.gz ZQPFMRBWMBTRPY-ZETCQYMHSA-N -1 3 301.177 2.678 20 10 DFCDHM CN(Cc1cnc(C2OCCO2)s1)Cc1ccccc1[O-] ZINC000289019869 131352610 /nfs/dbraw/zinc/35/26/10/131352610.db2.gz GEQGYAQEQSYEJE-UHFFFAOYSA-N -1 3 306.387 2.526 20 10 DFCDHM CC[C@@H](N[C@@H](C)C(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000291883474 286918784 /nfs/dbraw/zinc/91/87/84/286918784.db2.gz JSMGAHJCMHWUDB-WRWORJQWSA-N -1 3 305.205 2.874 20 10 DFCDHM C[C@@H](NCc1cccc(N(C)C)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273348172 287041206 /nfs/dbraw/zinc/04/12/06/287041206.db2.gz BFMQZAGIXAEVNU-LLVKDONJSA-N -1 3 316.361 2.612 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2cnn(C)c2)c1[O-] ZINC000175638010 426319681 /nfs/dbraw/zinc/31/96/81/426319681.db2.gz BDVINNVJYRBNTO-MRXNPFEDSA-N -1 3 317.364 2.805 20 10 DFCDHM CCOC[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175673633 426320542 /nfs/dbraw/zinc/32/05/42/426320542.db2.gz FPGREDBTPVYRNW-ZDUSSCGKSA-N -1 3 309.381 2.982 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCOC2(CCC2)C1 ZINC000093639862 426358228 /nfs/dbraw/zinc/35/82/28/426358228.db2.gz RKFLJGCNTZWSHF-UHFFFAOYSA-N -1 3 312.207 2.910 20 10 DFCDHM CCCOc1ccc(CNC(C)(C)c2noc(C)n2)c([O-])c1 ZINC000264361659 426541945 /nfs/dbraw/zinc/54/19/45/426541945.db2.gz GHHSUULOMXYFDW-UHFFFAOYSA-N -1 3 305.378 2.897 20 10 DFCDHM Cc1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280304294 426546525 /nfs/dbraw/zinc/54/65/25/426546525.db2.gz PBVJMKZYUQLSAO-LRDDRELGSA-N -1 3 311.809 2.734 20 10 DFCDHM C[C@H]1CN(Cc2c([O-])cccc2Cl)CC2(CCOCC2)O1 ZINC000280449010 426578155 /nfs/dbraw/zinc/57/81/55/426578155.db2.gz LELGJFOUJRCTOM-LBPRGKRZSA-N -1 3 311.809 2.816 20 10 DFCDHM C[C@@H]1OCC[C@@]12CN(Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450441 426579530 /nfs/dbraw/zinc/57/95/30/426579530.db2.gz LFIJVOXVWHCBHU-BFQNTYOBSA-N -1 3 311.809 2.814 20 10 DFCDHM CCOCc1nc([C@@H](C)N[C@H](C)c2cc(F)ccc2[O-])no1 ZINC000290280667 426732419 /nfs/dbraw/zinc/73/24/19/426732419.db2.gz XDEHCMPCZPOACT-NXEZZACHSA-N -1 3 309.341 2.863 20 10 DFCDHM CC1(O)CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000179721529 426813552 /nfs/dbraw/zinc/81/35/52/426813552.db2.gz DHJQPUNFKZRUMM-UHFFFAOYSA-N -1 3 300.196 2.502 20 10 DFCDHM CCN(Cc1cc(Cl)cc(C)c1[O-])[C@@H](C)CS(C)(=O)=O ZINC000180244563 426847274 /nfs/dbraw/zinc/84/72/74/426847274.db2.gz ZFLNNRAWNUHPMM-NSHDSACASA-N -1 3 319.854 2.609 20 10 DFCDHM O=C([N-]Cc1ccc(N2CCCC2)cc1)C(F)(F)C(F)F ZINC000267228204 426849374 /nfs/dbraw/zinc/84/93/74/426849374.db2.gz YNOBWPZFHKRTNP-UHFFFAOYSA-N -1 3 304.287 2.803 20 10 DFCDHM C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C(=O)NCCF ZINC000282461736 426914879 /nfs/dbraw/zinc/91/48/79/426914879.db2.gz FYZSPHAVFOEEJA-YUMQZZPRSA-N -1 3 323.195 2.824 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000275538428 426867830 /nfs/dbraw/zinc/86/78/30/426867830.db2.gz YHMMDPXMCVUPTR-AWEZNQCLSA-N -1 3 311.809 2.841 20 10 DFCDHM CNC(=O)CC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295481719 426976991 /nfs/dbraw/zinc/97/69/91/426976991.db2.gz XEFXZXQVPKWNOL-UHFFFAOYSA-N -1 3 314.788 2.533 20 10 DFCDHM COCc1n[nH]c([C@H]2CCCCN2Cc2cccc(F)c2[O-])n1 ZINC000295988801 427038998 /nfs/dbraw/zinc/03/89/98/427038998.db2.gz KATVBWZLCOZYHP-CYBMUJFWSA-N -1 3 320.368 2.523 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H](n3cccn3)C2)c1[O-] ZINC000292005487 427053249 /nfs/dbraw/zinc/05/32/49/427053249.db2.gz XOMPYLBJPHBUIZ-AWEZNQCLSA-N -1 3 319.792 2.892 20 10 DFCDHM C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000249080999 427085369 /nfs/dbraw/zinc/08/53/69/427085369.db2.gz LPWMDAPDUCVRMK-FVLGBLRTSA-N -1 3 305.324 2.979 20 10 DFCDHM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000276865661 427126776 /nfs/dbraw/zinc/12/67/76/427126776.db2.gz GRAFAGLBGRHQKW-WCBMZHEXSA-N -1 3 318.377 2.529 20 10 DFCDHM Cc1c(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)cnn1C ZINC000268916472 427137915 /nfs/dbraw/zinc/13/79/15/427137915.db2.gz QHFFDTFHRFDJLI-QGZVFWFLSA-N -1 3 315.417 2.615 20 10 DFCDHM CC[C@H](C)NC(=O)[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000293624539 427384313 /nfs/dbraw/zinc/38/43/13/427384313.db2.gz MTQRXXGUQUNIOP-IUCAKERBSA-N -1 3 302.777 2.578 20 10 DFCDHM CCCOc1ccc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c([O-])c1 ZINC000271167813 427426295 /nfs/dbraw/zinc/42/62/95/427426295.db2.gz CXPCMLFBSNAMLX-ZNLKAECVSA-N -1 3 311.447 2.522 20 10 DFCDHM COc1c([O-])c(CN(C)Cc2ccoc2C)ccc1[N+](=O)[O-] ZINC000278307241 427427803 /nfs/dbraw/zinc/42/78/03/427427803.db2.gz WKFBUXLJRFPOAT-UHFFFAOYSA-N -1 3 306.318 2.842 20 10 DFCDHM CCCOc1ccc(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c([O-])c1 ZINC000271167811 427428804 /nfs/dbraw/zinc/42/88/04/427428804.db2.gz CXPCMLFBSNAMLX-QRQYBIJMSA-N -1 3 311.447 2.522 20 10 DFCDHM COc1c([O-])c(CN(C)[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278502960 427443242 /nfs/dbraw/zinc/44/32/42/427443242.db2.gz OGRBPAVIIZLCKE-NSHDSACASA-N -1 3 317.345 2.897 20 10 DFCDHM CCn1nc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c1C ZINC000278521197 427444360 /nfs/dbraw/zinc/44/43/60/427444360.db2.gz RXUZFCAAZYTGSF-UHFFFAOYSA-N -1 3 320.349 2.754 20 10 DFCDHM CC(C)NC(=O)CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192617091 427572814 /nfs/dbraw/zinc/57/28/14/427572814.db2.gz PGXBBTKIJLUDCW-MRVPVSSYSA-N -1 3 305.205 2.874 20 10 DFCDHM C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000371248123 428380468 /nfs/dbraw/zinc/38/04/68/428380468.db2.gz UJHBZAZGKATLBW-UGFHNGPFSA-N -1 3 322.836 2.782 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCO[C@H](c2noc(C)n2)C1 ZINC000372595713 428472272 /nfs/dbraw/zinc/47/22/72/428472272.db2.gz QOSULZGXBPSCMP-HIFRSBDPSA-N -1 3 303.362 2.608 20 10 DFCDHM C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000366467224 429457544 /nfs/dbraw/zinc/45/75/44/429457544.db2.gz RDBDIUHBLLDEOX-WBMJQRKESA-N -1 3 311.809 2.816 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCSC2(CCCCC2)C1 ZINC000187172704 304549449 /nfs/dbraw/zinc/54/94/49/304549449.db2.gz DSMGSBMVIFFFCL-UHFFFAOYSA-N -1 3 307.415 2.990 20 10 DFCDHM Cc1cc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)no1 ZINC000070976853 301271757 /nfs/dbraw/zinc/27/17/57/301271757.db2.gz CMKAKTOAGADHLC-MRXNPFEDSA-N -1 3 302.374 2.870 20 10 DFCDHM CC[C@H](NCc1cc(Cl)c(F)cc1[O-])[C@@H](O)C(F)(F)F ZINC000293520547 335111426 /nfs/dbraw/zinc/11/14/26/335111426.db2.gz CYXLMOUNKVQCBG-GXSJLCMTSA-N -1 3 315.694 2.976 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1c2ccccc2C[C@H]1O ZINC000293738197 335112687 /nfs/dbraw/zinc/11/26/87/335112687.db2.gz WYTNHTDBDFRZLF-CVEARBPZSA-N -1 3 307.752 2.933 20 10 DFCDHM COc1ccncc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293981546 335116583 /nfs/dbraw/zinc/11/65/83/335116583.db2.gz BJUGPNJHIYOQPF-JTQLQIEISA-N -1 3 303.318 2.555 20 10 DFCDHM Cc1ccc(C(=O)N(C)CCOCc2ccccc2)c([O-])c1O ZINC000179543714 333152507 /nfs/dbraw/zinc/15/25/07/333152507.db2.gz SYMLCNVTOFHNAD-UHFFFAOYSA-N -1 3 315.369 2.695 20 10 DFCDHM COC(=O)[C@H](CC(C)C)NCc1cc(Cl)cc(OC)c1[O-] ZINC000185205502 333368930 /nfs/dbraw/zinc/36/89/30/333368930.db2.gz QWMPPDCKQYDQEA-LBPRGKRZSA-N -1 3 315.797 2.732 20 10 DFCDHM [O-]c1ccccc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000271368689 334021751 /nfs/dbraw/zinc/02/17/51/334021751.db2.gz OWJKWPMGQMGULG-BBRMVZONSA-N -1 3 305.324 2.978 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H]2CCCc3c[nH]nc32)c1 ZINC000273459309 334047034 /nfs/dbraw/zinc/04/70/34/334047034.db2.gz HUTPZSIGKQQJCY-IINYFYTJSA-N -1 3 315.373 2.630 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@@H](C)[S@](=O)CC2)c1[O-] ZINC000277667307 334089795 /nfs/dbraw/zinc/08/97/95/334089795.db2.gz PLMJENDVJXATOE-NSPYISDASA-N -1 3 301.839 2.697 20 10 DFCDHM COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000279093512 334105197 /nfs/dbraw/zinc/10/51/97/334105197.db2.gz GNDUIZROPIMOFK-GFCCVEGCSA-N -1 3 313.353 2.736 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000367725384 336828819 /nfs/dbraw/zinc/82/88/19/336828819.db2.gz YGJFADONDFUGSE-UHFFFAOYSA-N -1 3 321.783 2.902 20 10 DFCDHM Cc1ccc(C(=O)N2CC(Cc3ccccc3F)C2)c([O-])c1O ZINC000371573778 336908242 /nfs/dbraw/zinc/90/82/42/336908242.db2.gz KBJOGARTBUKNDJ-UHFFFAOYSA-N -1 3 315.344 2.860 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375671325 337016141 /nfs/dbraw/zinc/01/61/41/337016141.db2.gz HJEDSEZPACEPJA-OAHLLOKOSA-N -1 3 321.808 2.714 20 10 DFCDHM CC[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@]2(CCCOC2)O1 ZINC000376441108 337033483 /nfs/dbraw/zinc/03/34/83/337033483.db2.gz ITPTZICYBITODZ-PBHICJAKSA-N -1 3 309.381 2.691 20 10 DFCDHM [O-]c1c(Cl)cccc1CN[C@]1(CO)CCc2ccccc21 ZINC000305782109 337037175 /nfs/dbraw/zinc/03/71/75/337037175.db2.gz PHKMGKISILKGNR-KRWDZBQOSA-N -1 3 303.789 2.969 20 10 DFCDHM COCCn1cc2c(n1)[C@@H](NCc1cc(F)ccc1[O-])CCC2 ZINC000376613775 337038050 /nfs/dbraw/zinc/03/80/50/337038050.db2.gz AANNUIHMHLWCKB-HNNXBMFYSA-N -1 3 319.380 2.541 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)CC[C@H]2C)c1[O-] ZINC000376660629 337039208 /nfs/dbraw/zinc/03/92/08/337039208.db2.gz ZEDAQQFPUPJHAK-NSPYISDASA-N -1 3 301.839 2.697 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ccc(F)cn2)CC1 ZINC000377703776 337059301 /nfs/dbraw/zinc/05/93/01/337059301.db2.gz QXBNZJCIIMXNLJ-UHFFFAOYSA-N -1 3 321.783 2.902 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCCN(c2ncccn2)CC1 ZINC000378439314 337072688 /nfs/dbraw/zinc/07/26/88/337072688.db2.gz OMJWJPYGTSGQIC-UHFFFAOYSA-N -1 3 318.808 2.548 20 10 DFCDHM CCn1ncc2c1CCC[C@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000360091348 337085239 /nfs/dbraw/zinc/08/52/39/337085239.db2.gz CBNQKUJJXMAADI-CQSZACIVSA-N -1 3 316.361 2.684 20 10 DFCDHM CCCO[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000179487893 337169798 /nfs/dbraw/zinc/16/97/98/337169798.db2.gz NWNIVXQDLNYTBG-ZDUSSCGKSA-N -1 3 307.390 2.828 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCO[C@H](c2cccc(O)c2)C1 ZINC000180165085 337175142 /nfs/dbraw/zinc/17/51/42/337175142.db2.gz RMSJJDDOMVJCOY-KRWDZBQOSA-N -1 3 303.333 2.810 20 10 DFCDHM Cc1nccn1-c1ncccc1NC(=O)c1ccc(C)c(O)c1[O-] ZINC000182125047 337186649 /nfs/dbraw/zinc/18/66/49/337186649.db2.gz VVQMOVWLRVBWNX-UHFFFAOYSA-N -1 3 324.340 2.548 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@H](C)O)c1[O-] ZINC000267393834 518278976 /nfs/dbraw/zinc/27/89/76/518278976.db2.gz PKBVSDYEJJIZDM-NHYWBVRUSA-N -1 3 311.809 2.984 20 10 DFCDHM CC(C)(O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000189555314 519350899 /nfs/dbraw/zinc/35/08/99/519350899.db2.gz WDKAVNOWYVGBEW-UHFFFAOYSA-N -1 3 315.369 2.511 20 10 DFCDHM CN(C)c1ccc(C2=CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000365549573 522157213 /nfs/dbraw/zinc/15/72/13/522157213.db2.gz BHQGDMJZYOKIGC-UHFFFAOYSA-N -1 3 324.380 2.703 20 10 DFCDHM CN(C(=O)CNCc1c([O-])cccc1Cl)C1CCCCC1 ZINC000267125691 523826466 /nfs/dbraw/zinc/82/64/66/523826466.db2.gz UWMZMBBWIXMGBH-UHFFFAOYSA-N -1 3 310.825 2.926 20 10 DFCDHM COC(=O)[C@]1(C)CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000189989373 524008241 /nfs/dbraw/zinc/00/82/41/524008241.db2.gz FZDMWSCMLIVGAD-HNNXBMFYSA-N -1 3 313.781 2.582 20 10 DFCDHM CC(C)(C)OC(=O)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000272215620 534810000 /nfs/dbraw/zinc/81/00/00/534810000.db2.gz BBPXBTXRPCADGA-UHFFFAOYSA-N -1 3 324.396 2.974 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC3(CCOCC3)C2)c1[O-] ZINC000180699536 524867137 /nfs/dbraw/zinc/86/71/37/524867137.db2.gz ZJOOLFHFCCMVHM-UHFFFAOYSA-N -1 3 311.809 2.735 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3cccs3)C2)c([O-])c1O ZINC000182615615 526119991 /nfs/dbraw/zinc/11/99/91/526119991.db2.gz AXACQMIMHVDHJS-LBPRGKRZSA-N -1 3 319.382 2.681 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCN(CC2CCOCC2)CC1 ZINC000180228300 526326913 /nfs/dbraw/zinc/32/69/13/526326913.db2.gz DMTUPTHAAMNBHO-UHFFFAOYSA-N -1 3 324.852 2.590 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](n2ncc3ccccc32)C1 ZINC000366174626 526771729 /nfs/dbraw/zinc/77/17/29/526771729.db2.gz ZLGKZKPZHVVMQB-ZDUSSCGKSA-N -1 3 323.352 2.535 20 10 DFCDHM Cc1ncc(CN2CCN(Cc3cc(F)ccc3[O-])CC2)s1 ZINC000180094256 527258328 /nfs/dbraw/zinc/25/83/28/527258328.db2.gz WPDHELXTWHMAAW-UHFFFAOYSA-N -1 3 321.421 2.614 20 10 DFCDHM CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287823194 535808136 /nfs/dbraw/zinc/80/81/36/535808136.db2.gz VICCQTWFFFQDHR-KGLIPLIRSA-N -1 3 309.797 2.553 20 10 DFCDHM CCOc1ccc(N(C)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736644802 598864703 /nfs/dbraw/zinc/86/47/03/598864703.db2.gz PLKNQJAJXUFCBG-UHFFFAOYSA-N -1 3 309.373 2.902 20 10 DFCDHM CCOc1ccc(N(C)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736644802 598864704 /nfs/dbraw/zinc/86/47/04/598864704.db2.gz PLKNQJAJXUFCBG-UHFFFAOYSA-N -1 3 309.373 2.902 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832504728 601814694 /nfs/dbraw/zinc/81/46/94/601814694.db2.gz VDZMJVRWOLDJHE-XHDPSFHLSA-N -1 3 315.369 2.707 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3C[C@H](C)[C@H](C(=O)[O-])C3)c2c1 ZINC000832504728 601814695 /nfs/dbraw/zinc/81/46/95/601814695.db2.gz VDZMJVRWOLDJHE-XHDPSFHLSA-N -1 3 315.369 2.707 20 10 DFCDHM COc1ccc(O)c([C@H](C)NCc2cc(C(=O)[O-])oc2C)c1 ZINC000833733222 605126815 /nfs/dbraw/zinc/12/68/15/605126815.db2.gz CXMXEOMJOYPZSY-VIFPVBQESA-N -1 3 305.330 2.851 20 10 DFCDHM Cn1cc([C@]2(C)CN(Cc3cc(Cl)ccc3[O-])CCO2)cn1 ZINC000092016601 398552975 /nfs/dbraw/zinc/55/29/75/398552975.db2.gz QPJJSZIFUHQOKQ-INIZCTEOSA-N -1 3 321.808 2.527 20 10 DFCDHM C[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1ccc(F)c(F)c1[O-] ZINC000290207507 299398326 /nfs/dbraw/zinc/39/83/26/299398326.db2.gz HCEJAWIRVHYIJB-LQBHMHGISA-N -1 3 321.323 2.816 20 10 DFCDHM COc1ccc([C@@H](CO)N(C)Cc2cccc(F)c2[O-])cc1 ZINC000272214325 130008692 /nfs/dbraw/zinc/00/86/92/130008692.db2.gz AZCSMRKMBFXKHL-MRXNPFEDSA-N -1 3 305.349 2.705 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c([O-])c1O ZINC000272921596 130075450 /nfs/dbraw/zinc/07/54/50/130075450.db2.gz FFQDPVLWAXRJCS-QWHCGFSZSA-N -1 3 307.390 2.730 20 10 DFCDHM Cc1ccc(C(=O)N(CC(=O)OC(C)(C)C)C(C)C)c([O-])c1O ZINC000273046584 130085069 /nfs/dbraw/zinc/08/50/69/130085069.db2.gz VZLVSEVABBNLKA-UHFFFAOYSA-N -1 3 323.389 2.599 20 10 DFCDHM COc1cc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000273384956 130114631 /nfs/dbraw/zinc/11/46/31/130114631.db2.gz JGDQSQIRCXIVMR-JTQLQIEISA-N -1 3 303.318 2.555 20 10 DFCDHM C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502158 130129223 /nfs/dbraw/zinc/12/92/23/130129223.db2.gz QKHXAEQKFJGGLC-SJCJKPOMSA-N -1 3 311.385 2.663 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2cnc(C)s2)c1 ZINC000273552564 130134701 /nfs/dbraw/zinc/13/47/01/130134701.db2.gz GEMMWHANDJFGPD-SECBINFHSA-N -1 3 306.387 2.795 20 10 DFCDHM C[C@H](NCC(=O)N(C)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000273588362 130140569 /nfs/dbraw/zinc/14/05/69/130140569.db2.gz OLCDKCAAANTYCD-LBPRGKRZSA-N -1 3 308.397 2.973 20 10 DFCDHM C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000285510316 131176218 /nfs/dbraw/zinc/17/62/18/131176218.db2.gz MRRGSUYKPIYIPU-LBTNJELSSA-N -1 3 319.401 2.644 20 10 DFCDHM Cc1cc(Cl)cc(CN[C@@H](c2nncn2C)C(C)C)c1[O-] ZINC000289070392 131356681 /nfs/dbraw/zinc/35/66/81/131356681.db2.gz AEIWXGRMPLWOPD-CYBMUJFWSA-N -1 3 308.813 2.969 20 10 DFCDHM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000289547665 131395585 /nfs/dbraw/zinc/39/55/85/131395585.db2.gz IININJHICSAMFU-ZDUSSCGKSA-N -1 3 310.369 2.584 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CO)c2ccccc2)c1 ZINC000273549253 292014257 /nfs/dbraw/zinc/01/42/57/292014257.db2.gz FQZCZSZKPSREFQ-BLLLJJGKSA-N -1 3 315.369 2.563 20 10 DFCDHM CO[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000282247138 286059168 /nfs/dbraw/zinc/05/91/68/286059168.db2.gz JJJGIZXKQJBZKC-CABZTGNLSA-N -1 3 314.769 2.953 20 10 DFCDHM Cc1nc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])sc1C ZINC000109773167 426032281 /nfs/dbraw/zinc/03/22/81/426032281.db2.gz XBJBYJBEIZAOBQ-LLVKDONJSA-N -1 3 319.430 2.925 20 10 DFCDHM C[C@@H]1Cc2ccccc2N1C(=O)CN(C)Cc1ccccc1[O-] ZINC000109771036 426032641 /nfs/dbraw/zinc/03/26/41/426032641.db2.gz HLSOMRIPCUMEOP-CQSZACIVSA-N -1 3 310.397 2.802 20 10 DFCDHM C[C@H](C1CC1)N(C(=O)CN(C)Cc1ccccc1[O-])C1CC1 ZINC000111236196 426039035 /nfs/dbraw/zinc/03/90/35/426039035.db2.gz WQCGULARRFTMML-CYBMUJFWSA-N -1 3 302.418 2.614 20 10 DFCDHM C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000111235793 426039741 /nfs/dbraw/zinc/03/97/41/426039741.db2.gz KWUCXQXLISVCIH-ZBFHGGJFSA-N -1 3 304.434 2.861 20 10 DFCDHM CCONC(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000166552670 426128409 /nfs/dbraw/zinc/12/84/09/426128409.db2.gz WLAOANGSYAJEQQ-UHFFFAOYSA-N -1 3 317.183 2.638 20 10 DFCDHM CCCOC(=O)[C@H](C)N(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119489426 426292303 /nfs/dbraw/zinc/29/23/03/426292303.db2.gz GWMVNUSOJIADJO-HOCLYGCPSA-N -1 3 321.417 2.715 20 10 DFCDHM Cc1cc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)on1 ZINC000122379148 426372923 /nfs/dbraw/zinc/37/29/23/426372923.db2.gz VMDIXOJMXMLZOB-UHFFFAOYSA-N -1 3 321.808 2.660 20 10 DFCDHM CCN(CC(=O)Nc1ccccc1OC)Cc1ccccc1[O-] ZINC000154870326 426459000 /nfs/dbraw/zinc/45/90/00/426459000.db2.gz NAZWWNAKEQXNRK-UHFFFAOYSA-N -1 3 314.385 2.861 20 10 DFCDHM Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c([O-])c1O ZINC000177662379 426502356 /nfs/dbraw/zinc/50/23/56/426502356.db2.gz VNXNJBHIAYWWBX-UHFFFAOYSA-N -1 3 314.385 2.744 20 10 DFCDHM CCOCCC1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000187189273 426637124 /nfs/dbraw/zinc/63/71/24/426637124.db2.gz GUMLKNFTEWRGIG-UHFFFAOYSA-N -1 3 307.390 2.815 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@]3(CCCOC3)C2)c([O-])c1 ZINC000289662658 426670362 /nfs/dbraw/zinc/67/03/62/426670362.db2.gz YRGPBNMGNYAENT-GOSISDBHSA-N -1 3 321.417 2.562 20 10 DFCDHM CCN(Cc1ccncc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000289702119 426673005 /nfs/dbraw/zinc/67/30/05/426673005.db2.gz GDYIKUUURLLVOK-UHFFFAOYSA-N -1 3 317.345 2.726 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC(OC2CCCC2)CC1 ZINC000187054572 426624802 /nfs/dbraw/zinc/62/48/02/426624802.db2.gz UWOIDPCDCUMHMT-UHFFFAOYSA-N -1 3 305.374 2.662 20 10 DFCDHM C[C@H](N[C@H]1COc2ccccc2[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000290207509 426717178 /nfs/dbraw/zinc/71/71/78/426717178.db2.gz HCEJAWIRVHYIJB-LUFJJVMOSA-N -1 3 321.323 2.816 20 10 DFCDHM CN(CCCOCc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000281534308 426721294 /nfs/dbraw/zinc/72/12/94/426721294.db2.gz JJPNWANGCGMDQM-UHFFFAOYSA-N -1 3 315.369 2.777 20 10 DFCDHM CCc1ccc([C@H](COC)NC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000179516030 426797194 /nfs/dbraw/zinc/79/71/94/426797194.db2.gz CFVICUISYJNOEP-ZDUSSCGKSA-N -1 3 319.357 2.679 20 10 DFCDHM COCCOC[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295248033 426876069 /nfs/dbraw/zinc/87/60/69/426876069.db2.gz FRQUSAJMACOSLH-LLVKDONJSA-N -1 3 317.788 2.670 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2cn(C)nc2C2CC2)c1 ZINC000291356215 426882411 /nfs/dbraw/zinc/88/24/11/426882411.db2.gz XRKZJYFJGPBJBR-SNVBAGLBSA-N -1 3 315.373 2.963 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2cn(C)nc2C2CC2)c1 ZINC000291356211 426883011 /nfs/dbraw/zinc/88/30/11/426883011.db2.gz XRKZJYFJGPBJBR-JTQLQIEISA-N -1 3 315.373 2.963 20 10 DFCDHM NC(=O)CCC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295310738 426901529 /nfs/dbraw/zinc/90/15/29/426901529.db2.gz KPDICWIBBKXHMH-UHFFFAOYSA-N -1 3 314.788 2.662 20 10 DFCDHM Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ncon2)c([O-])c1O ZINC000276158665 426996041 /nfs/dbraw/zinc/99/60/41/426996041.db2.gz CXUQBVDVQPNJMW-GFCCVEGCSA-N -1 3 317.345 2.547 20 10 DFCDHM CCN(C(=O)c1ccc(C)c(O)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000292832990 427202768 /nfs/dbraw/zinc/20/27/68/427202768.db2.gz WVYJGOKOJNOEDA-GFCCVEGCSA-N -1 3 307.390 2.826 20 10 DFCDHM CC(C)C(=O)NC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000271052486 427389048 /nfs/dbraw/zinc/38/90/48/427389048.db2.gz QKAPLCNHJVYDOY-UHFFFAOYSA-N -1 3 310.825 2.782 20 10 DFCDHM COC[C@@H]1CCN1Cc1cc(Br)cc(C)c1[O-] ZINC000293678776 427404439 /nfs/dbraw/zinc/40/44/39/427404439.db2.gz PNANYVADMRVCTJ-LBPRGKRZSA-N -1 3 300.196 2.684 20 10 DFCDHM COc1c([O-])c(CN2CCOC[C@@H]2CC(C)C)ccc1[N+](=O)[O-] ZINC000278178679 427424111 /nfs/dbraw/zinc/42/41/11/427424111.db2.gz GRMXDNULPHUAKG-ZDUSSCGKSA-N -1 3 324.377 2.556 20 10 DFCDHM CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1 ZINC000278223388 427425554 /nfs/dbraw/zinc/42/55/54/427425554.db2.gz LRZZCNFHAGORCT-LLVKDONJSA-N -1 3 312.391 2.636 20 10 DFCDHM COc1c([O-])c(CN2CCOc3ccccc32)ccc1[N+](=O)[O-] ZINC000278461711 427439899 /nfs/dbraw/zinc/43/98/99/427439899.db2.gz FEGYBZXVVFNLKB-UHFFFAOYSA-N -1 3 316.313 2.708 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000271441582 427537691 /nfs/dbraw/zinc/53/76/91/427537691.db2.gz RZOUJMIADILHMD-GDBMZVCRSA-N -1 3 319.426 2.778 20 10 DFCDHM C[C@H](NCc1ccnn1C)c1ccc(Br)cc1[O-] ZINC000184996462 427574763 /nfs/dbraw/zinc/57/47/63/427574763.db2.gz RPLYDQQSZOBZCP-VIFPVBQESA-N -1 3 310.195 2.739 20 10 DFCDHM CCc1nn(C)c(OC)c1CNCc1c([O-])cccc1Cl ZINC000271608205 427581933 /nfs/dbraw/zinc/58/19/33/427581933.db2.gz ZNEKQTLAHGWIAH-UHFFFAOYSA-N -1 3 309.797 2.640 20 10 DFCDHM C[C@H](NCc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000185113356 427595904 /nfs/dbraw/zinc/59/59/04/427595904.db2.gz GUIAYHUADYACML-VIFPVBQESA-N -1 3 310.195 2.739 20 10 DFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])[C@@H]1OCCc2sccc21 ZINC000294651714 427649907 /nfs/dbraw/zinc/64/99/07/427649907.db2.gz NAFJFADYPSUFQY-VFZGTOFNSA-N -1 3 319.382 2.592 20 10 DFCDHM C=Cn1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cn1 ZINC000193605455 427699497 /nfs/dbraw/zinc/69/94/97/427699497.db2.gz RLIOTGFCLVHGND-KRWDZBQOSA-N -1 3 313.401 2.870 20 10 DFCDHM NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cccc(Cl)c1[O-] ZINC000371422981 428389822 /nfs/dbraw/zinc/38/98/22/428389822.db2.gz HZIAMNJFVVDMAI-GDLCADMTSA-N -1 3 308.809 2.664 20 10 DFCDHM CCOc1ncnc2c1CN(Cc1cc(Cl)ccc1[O-])CC2 ZINC000362388267 428729132 /nfs/dbraw/zinc/72/91/32/428729132.db2.gz CPRAAEUJBPDVRJ-UHFFFAOYSA-N -1 3 319.792 2.793 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC(n3cccn3)CC2)c1[O-] ZINC000363321081 428906927 /nfs/dbraw/zinc/90/69/27/428906927.db2.gz MIZPNUUBVLYVTH-UHFFFAOYSA-N -1 3 317.364 2.768 20 10 DFCDHM COc1cncc(/C=C\C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000492490540 429549934 /nfs/dbraw/zinc/54/99/34/429549934.db2.gz OJRUVORUNUHSDM-FPLPWBNLSA-N -1 3 310.353 2.788 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000367457445 429652398 /nfs/dbraw/zinc/65/23/98/429652398.db2.gz GMVWCRDMSDNXJU-HZPDHXFCSA-N -1 3 307.365 2.877 20 10 DFCDHM Cn1ccnc1[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000367702077 429703724 /nfs/dbraw/zinc/70/37/24/429703724.db2.gz LXQVCOCTYWFRIH-SNVBAGLBSA-N -1 3 309.772 2.908 20 10 DFCDHM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000368120346 429792510 /nfs/dbraw/zinc/79/25/10/429792510.db2.gz ONPDHLZVHRXXGQ-KRWDZBQOSA-N -1 3 314.360 2.513 20 10 DFCDHM Cc1nc2c(s1)[C@@H](NC(=O)c1cccc(O)c1[O-])CCC2 ZINC000369101655 429912659 /nfs/dbraw/zinc/91/26/59/429912659.db2.gz RICSGQLPFRJJDZ-NSHDSACASA-N -1 3 304.371 2.670 20 10 DFCDHM CCCN(CCc1ccccn1)C(=O)c1cccc(O)c1[O-] ZINC000192991147 333296804 /nfs/dbraw/zinc/29/68/04/333296804.db2.gz RGHWSZVCECFPSZ-UHFFFAOYSA-N -1 3 300.358 2.588 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)c1[O-] ZINC000279243814 334106959 /nfs/dbraw/zinc/10/69/59/334106959.db2.gz GHQDZHPPSHHPPX-MGPLVRAMSA-N -1 3 307.365 2.733 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](F)(c2ccccc2F)C1 ZINC000367235230 336550332 /nfs/dbraw/zinc/55/03/32/336550332.db2.gz ANOUYAVIBXIRRS-KRWDZBQOSA-N -1 3 319.307 2.948 20 10 DFCDHM CCCOc1ccc(CN2CC(n3cc(C)cn3)C2)c([O-])c1 ZINC000375853597 337021523 /nfs/dbraw/zinc/02/15/23/337021523.db2.gz XBHLKJZUFCCEAK-UHFFFAOYSA-N -1 3 301.390 2.743 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2C[C@@H](CO)c3ccccc32)c1 ZINC000376956563 337044190 /nfs/dbraw/zinc/04/41/90/337044190.db2.gz GYJJCKYEHBWSCW-BLLLJJGKSA-N -1 3 314.341 2.611 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCn2c(nnc2C2CC2)C1 ZINC000377197746 337048569 /nfs/dbraw/zinc/04/85/69/337048569.db2.gz RQBQVVYTJWQLBG-UHFFFAOYSA-N -1 3 304.781 2.530 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCC(C)(C)S(=O)(=O)CC1 ZINC000377672708 337058069 /nfs/dbraw/zinc/05/80/69/337058069.db2.gz LRYCUZOEIWALTA-CQSZACIVSA-N -1 3 311.447 2.742 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000377690021 337058600 /nfs/dbraw/zinc/05/86/00/337058600.db2.gz FYMDMRXHLYIWQZ-LSDHHAIUSA-N -1 3 311.809 2.734 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCO[C@@H](c2nnc(C)o2)C1 ZINC000377713716 337059373 /nfs/dbraw/zinc/05/93/73/337059373.db2.gz AKUKRIQPSWLMPE-UKRRQHHQSA-N -1 3 303.362 2.608 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1c2ccccc2C[C@H]1O ZINC000190930116 337291467 /nfs/dbraw/zinc/29/14/67/337291467.db2.gz CCHQTSGNHSHLTB-ZBFHGGJFSA-N -1 3 307.752 2.933 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC(OCC2CCCC2)CC1 ZINC000193129882 337308487 /nfs/dbraw/zinc/30/84/87/337308487.db2.gz KGPZWXXQNVWBFR-UHFFFAOYSA-N -1 3 319.401 2.909 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](NCc2ncc[nH]2)C1 ZINC000113359322 337391029 /nfs/dbraw/zinc/39/10/29/337391029.db2.gz OFSBMYMWRLTIFK-AWEZNQCLSA-N -1 3 320.824 2.523 20 10 DFCDHM C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(=O)N1CCCC1 ZINC000134589012 341219029 /nfs/dbraw/zinc/21/90/29/341219029.db2.gz XNBNUJWJRHKZIM-VIFPVBQESA-N -1 3 317.216 2.800 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOC3(CCCC3)C2)c1[O-] ZINC000158343169 518283490 /nfs/dbraw/zinc/28/34/90/518283490.db2.gz AKXSQEFTURFKBV-UHFFFAOYSA-N -1 3 307.365 2.879 20 10 DFCDHM CCCOc1ccc(CN2CCCN(CCC)C(=O)C2)c([O-])c1 ZINC000189218059 520347603 /nfs/dbraw/zinc/34/76/03/520347603.db2.gz HBHGZOONNYSROW-UHFFFAOYSA-N -1 3 320.433 2.625 20 10 DFCDHM CC[C@H](NCc1nnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000367729714 522674813 /nfs/dbraw/zinc/67/48/13/522674813.db2.gz VGMOLXOWGPJGAG-ZDUSSCGKSA-N -1 3 304.369 2.700 20 10 DFCDHM COCCN(Cc1ccc(C)o1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000182609206 523747759 /nfs/dbraw/zinc/74/77/59/523747759.db2.gz CKPSDYDCYQTZLC-UHFFFAOYSA-N -1 3 319.357 2.596 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC(Oc2cnccn2)CC1 ZINC000365940052 526346451 /nfs/dbraw/zinc/34/64/51/526346451.db2.gz GEIAJGSKTWORJK-UHFFFAOYSA-N -1 3 319.792 2.879 20 10 DFCDHM O=C1CCCN1C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000132007560 526973955 /nfs/dbraw/zinc/97/39/55/526973955.db2.gz KPIXFKUVWCFBQB-UHFFFAOYSA-N -1 3 308.809 2.632 20 10 DFCDHM Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737271102 599064088 /nfs/dbraw/zinc/06/40/88/599064088.db2.gz RJYGAQDOYUSYMA-UHFFFAOYSA-N -1 3 308.389 2.853 20 10 DFCDHM COc1ccc2ccc([O-])c(C[NH+]3CCC(C(=O)[O-])CC3)c2c1 ZINC000739941706 596914356 /nfs/dbraw/zinc/91/43/56/596914356.db2.gz MRCOUIFDFCPGMG-UHFFFAOYSA-N -1 3 315.369 2.851 20 10 DFCDHM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000820547924 598220339 /nfs/dbraw/zinc/22/03/39/598220339.db2.gz OEBYNADGCQNLRA-INIZCTEOSA-N -1 3 302.349 2.807 20 10 DFCDHM Cc1cc(O)c(CN(C)c2ccccc2-c2nnn[n-]2)cc1C ZINC000826271233 607847704 /nfs/dbraw/zinc/84/77/04/607847704.db2.gz JALXKKJSIJJAEL-UHFFFAOYSA-N -1 3 309.373 2.826 20 10 DFCDHM Cc1cc(O)c(CN(C)c2ccccc2-c2nn[n-]n2)cc1C ZINC000826271233 607847705 /nfs/dbraw/zinc/84/77/05/607847705.db2.gz JALXKKJSIJJAEL-UHFFFAOYSA-N -1 3 309.373 2.826 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+](CC(=O)[O-])C3CC3)c2c1 ZINC000832504444 601377303 /nfs/dbraw/zinc/37/73/03/601377303.db2.gz PBFHDPONLWBDJL-UHFFFAOYSA-N -1 3 301.342 2.603 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+](CC(=O)[O-])C3CC3)c2c1 ZINC000832504444 601377306 /nfs/dbraw/zinc/37/73/06/601377306.db2.gz PBFHDPONLWBDJL-UHFFFAOYSA-N -1 3 301.342 2.603 20 10 DFCDHM COc1ccc(N(C)Cc2ccccc2-c2nnn[n-]2)cc1F ZINC000821827588 606881495 /nfs/dbraw/zinc/88/14/95/606881495.db2.gz FYYWNOJENOHUHX-UHFFFAOYSA-N -1 3 313.336 2.651 20 10 DFCDHM COc1ccc(N(C)Cc2ccccc2-c2nn[n-]n2)cc1F ZINC000821827588 606881497 /nfs/dbraw/zinc/88/14/97/606881497.db2.gz FYYWNOJENOHUHX-UHFFFAOYSA-N -1 3 313.336 2.651 20 10 DFCDHM COc1cc(-c2nn[n-]n2)ccc1CSc1nccs1 ZINC000826173861 608264261 /nfs/dbraw/zinc/26/42/61/608264261.db2.gz YMRBUPGGODIMGL-UHFFFAOYSA-N -1 3 305.388 2.624 20 10 DFCDHM COc1cc(-c2nnn[n-]2)ccc1CSc1nccs1 ZINC000826173861 608264258 /nfs/dbraw/zinc/26/42/58/608264258.db2.gz YMRBUPGGODIMGL-UHFFFAOYSA-N -1 3 305.388 2.624 20 10 DFCDHM CC[C@H](O)[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079434317 399043508 /nfs/dbraw/zinc/04/35/08/399043508.db2.gz YUTLSLNBRFLLGA-HOTGVXAUSA-N -1 3 309.381 2.859 20 10 DFCDHM COCC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093103556 193204444 /nfs/dbraw/zinc/20/44/44/193204444.db2.gz PIMOKSOMCUQATD-UHFFFAOYSA-N -1 3 314.769 2.812 20 10 DFCDHM C[C@@H](N[C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)NCCF ZINC000282878920 296158670 /nfs/dbraw/zinc/15/86/70/296158670.db2.gz VOVPCIYSKSVPMH-HTQZYQBOSA-N -1 3 323.195 2.824 20 10 DFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CC(C)C ZINC000272186793 130006153 /nfs/dbraw/zinc/00/61/53/130006153.db2.gz DTVWVGZIMRFKRQ-UHFFFAOYSA-N -1 3 313.781 2.593 20 10 DFCDHM Cc1ccc(C(=O)NCc2ncc(C(C)(C)C)o2)c([O-])c1O ZINC000272704805 130055801 /nfs/dbraw/zinc/05/58/01/130055801.db2.gz CAAINVNXAHKSBH-UHFFFAOYSA-N -1 3 304.346 2.622 20 10 DFCDHM CN(C)C(=O)CC1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000272739401 130059955 /nfs/dbraw/zinc/05/99/55/130059955.db2.gz AUOUPBAJAZOTFJ-UHFFFAOYSA-N -1 3 310.825 2.736 20 10 DFCDHM Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c([O-])c1O ZINC000272815744 130066496 /nfs/dbraw/zinc/06/64/96/130066496.db2.gz NZCMOZIESAFGKW-ZDUSSCGKSA-N -1 3 320.414 2.500 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1O ZINC000272921597 130075417 /nfs/dbraw/zinc/07/54/17/130075417.db2.gz FFQDPVLWAXRJCS-STQMWFEESA-N -1 3 307.390 2.730 20 10 DFCDHM COCC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccco1 ZINC000272990404 130080169 /nfs/dbraw/zinc/08/01/69/130080169.db2.gz MZUXSRSLQDHDAS-LBPRGKRZSA-N -1 3 305.330 2.507 20 10 DFCDHM CCCOc1ccc(CN2C[C@@H](COC)OC(C)(C)C2)c([O-])c1 ZINC000284571671 131093549 /nfs/dbraw/zinc/09/35/49/131093549.db2.gz OGPVPVRGWLYICL-INIZCTEOSA-N -1 3 323.433 2.807 20 10 DFCDHM CCCCN(Cc1oncc1C(=O)OC)Cc1ccccc1[O-] ZINC000285307110 131156355 /nfs/dbraw/zinc/15/63/55/131156355.db2.gz MNHFNVKNEUDAJD-UHFFFAOYSA-N -1 3 318.373 2.969 20 10 DFCDHM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@@H]32)c([O-])c1O ZINC000182579592 292061395 /nfs/dbraw/zinc/06/13/95/292061395.db2.gz OOTGYJPTYYQNJI-STQMWFEESA-N -1 3 307.415 2.906 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CNCc1nnc2n1CCCCC2 ZINC000293812238 296590167 /nfs/dbraw/zinc/59/01/67/296590167.db2.gz CPUJQTBENGEPSX-UHFFFAOYSA-N -1 3 324.787 2.792 20 10 DFCDHM C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)Cc1ccccc1[O-] ZINC000109768906 426032326 /nfs/dbraw/zinc/03/23/26/426032326.db2.gz UUFRWSXUKVITPV-IIAWOOMASA-N -1 3 304.434 2.907 20 10 DFCDHM Cc1nc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])sc1C ZINC000109773170 426032717 /nfs/dbraw/zinc/03/27/17/426032717.db2.gz XBJBYJBEIZAOBQ-NSHDSACASA-N -1 3 319.430 2.925 20 10 DFCDHM CCc1nc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)no1 ZINC000111232901 426039611 /nfs/dbraw/zinc/03/96/11/426039611.db2.gz MUNSZTPNLRSZES-AWEZNQCLSA-N -1 3 317.389 2.519 20 10 DFCDHM CCCOc1ccc(CN2CCC[C@H]2c2nncn2C)c([O-])c1 ZINC000093810227 426358519 /nfs/dbraw/zinc/35/85/19/426358519.db2.gz XOPDIRMZYFFPKY-HNNXBMFYSA-N -1 3 316.405 2.647 20 10 DFCDHM Cc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)c([O-])c1O ZINC000177660453 426502404 /nfs/dbraw/zinc/50/24/04/426502404.db2.gz ZFTBUDKFAADHKN-GFCCVEGCSA-N -1 3 320.414 2.500 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(OC(C)(C)C)CC2)c([O-])c1O ZINC000272758099 426572940 /nfs/dbraw/zinc/57/29/40/426572940.db2.gz POKPYHLYZKWWJP-UHFFFAOYSA-N -1 3 307.390 2.826 20 10 DFCDHM O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000186843882 426597558 /nfs/dbraw/zinc/59/75/58/426597558.db2.gz YFJVJOQXCGCGKX-BDAKNGLRSA-N -1 3 303.280 2.949 20 10 DFCDHM COc1cc(Cl)cc(CNCc2cccnc2OC)c1[O-] ZINC000228670897 426634483 /nfs/dbraw/zinc/63/44/83/426634483.db2.gz QMFNAUGDOLHHIZ-UHFFFAOYSA-N -1 3 308.765 2.748 20 10 DFCDHM COc1cc(Cl)cc(CN[C@@H](c2nncn2C)C(C)C)c1[O-] ZINC000289683049 426673852 /nfs/dbraw/zinc/67/38/52/426673852.db2.gz ZTLBLWMBDNWVKC-CYBMUJFWSA-N -1 3 324.812 2.670 20 10 DFCDHM [O-]c1c(F)cccc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289960370 426677261 /nfs/dbraw/zinc/67/72/61/426677261.db2.gz ZBXAOZXPPJLFRA-MNOVXSKESA-N -1 3 307.287 2.524 20 10 DFCDHM COCCOCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000290155095 426704666 /nfs/dbraw/zinc/70/46/66/426704666.db2.gz LJOCSGBSVMIEJO-UHFFFAOYSA-N -1 3 308.205 2.794 20 10 DFCDHM C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)N(C)Cc1ccccc1[O-] ZINC000245819861 426774827 /nfs/dbraw/zinc/77/48/27/426774827.db2.gz UUFRWSXUKVITPV-IJEWVQPXSA-N -1 3 304.434 2.907 20 10 DFCDHM Cc1ccc(C(=O)N2CCN(Cc3ccccc3[O-])CC2)s1 ZINC000179562771 426802792 /nfs/dbraw/zinc/80/27/92/426802792.db2.gz JARJODNPUBPZTR-UHFFFAOYSA-N -1 3 316.426 2.720 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179586483 426805674 /nfs/dbraw/zinc/80/56/74/426805674.db2.gz ZKTYENABPWFFEU-IEBWSBKVSA-N -1 3 313.397 2.717 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCC[C@H]2C(=O)NC2CC2)c1[O-] ZINC000179726738 426814267 /nfs/dbraw/zinc/81/42/67/426814267.db2.gz HBJSEGBTCTVVLM-AWEZNQCLSA-N -1 3 308.809 2.597 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)NC2CC2)c1[O-] ZINC000179726724 426814971 /nfs/dbraw/zinc/81/49/71/426814971.db2.gz HBJSEGBTCTVVLM-CQSZACIVSA-N -1 3 308.809 2.597 20 10 DFCDHM CC(C)OCc1nc([C@H](C)NCc2cc(F)ccc2[O-])no1 ZINC000290836834 426852246 /nfs/dbraw/zinc/85/22/46/426852246.db2.gz HZJNKACYIJIOQB-JTQLQIEISA-N -1 3 309.341 2.690 20 10 DFCDHM CCc1ccc([C@@H](COC)NC(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000179516018 426796373 /nfs/dbraw/zinc/79/63/73/426796373.db2.gz CFVICUISYJNOEP-CYBMUJFWSA-N -1 3 319.357 2.679 20 10 DFCDHM C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)NCCF ZINC000282878924 426935258 /nfs/dbraw/zinc/93/52/58/426935258.db2.gz VOVPCIYSKSVPMH-JGVFFNPUSA-N -1 3 323.195 2.824 20 10 DFCDHM Cc1c(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)cnn1C ZINC000268916470 427139674 /nfs/dbraw/zinc/13/96/74/427139674.db2.gz QHFFDTFHRFDJLI-KRWDZBQOSA-N -1 3 315.417 2.615 20 10 DFCDHM C[C@H]1CCN(Cc2c([O-])ccc3ccccc32)CCS1(=O)=O ZINC000191306735 427314633 /nfs/dbraw/zinc/31/46/33/427314633.db2.gz HDGYIBINWCRORF-ZDUSSCGKSA-N -1 3 319.426 2.554 20 10 DFCDHM CCC[C@@](C)(NCc1cc(Cl)cc(OC)c1[O-])C(=O)OC ZINC000184048154 427382462 /nfs/dbraw/zinc/38/24/62/427382462.db2.gz JWELBGYIGMIEDD-OAHLLOKOSA-N -1 3 315.797 2.876 20 10 DFCDHM Cc1ccc(C(=O)NCc2ccc3c(n2)CCCC3)c([O-])c1O ZINC000278239321 427428138 /nfs/dbraw/zinc/42/81/38/427428138.db2.gz VZYGWTUGWZWBIV-UHFFFAOYSA-N -1 3 312.369 2.610 20 10 DFCDHM CCc1nnc(CNCc2cc(Cl)c(F)cc2[O-])s1 ZINC000293985559 427513780 /nfs/dbraw/zinc/51/37/80/427513780.db2.gz RQPQSVWMSFCRDV-UHFFFAOYSA-N -1 3 301.774 2.888 20 10 DFCDHM CCN(Cc1cnn(C)c1)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184683459 427518284 /nfs/dbraw/zinc/51/82/84/427518284.db2.gz RBXPQTSWXRSDTL-UHFFFAOYSA-N -1 3 309.797 2.810 20 10 DFCDHM CCOC(=O)[C@H]1CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000184742322 427529544 /nfs/dbraw/zinc/52/95/44/427529544.db2.gz RRNNYFFOFYGDQT-GFCCVEGCSA-N -1 3 313.781 2.582 20 10 DFCDHM C[C@@H](NCc1ccnn1C)c1ccc(Br)cc1[O-] ZINC000184996481 427575830 /nfs/dbraw/zinc/57/58/30/427575830.db2.gz RPLYDQQSZOBZCP-SECBINFHSA-N -1 3 310.195 2.739 20 10 DFCDHM CC(C)(C)n1ncc2c1nc(NCc1ccccc1[O-])[nH]c2=O ZINC000271597950 427580237 /nfs/dbraw/zinc/58/02/37/427580237.db2.gz HSVISFGUORHSDS-UHFFFAOYSA-N -1 3 313.361 2.605 20 10 DFCDHM CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc(F)ccc1[O-] ZINC000185683497 427691979 /nfs/dbraw/zinc/69/19/79/427691979.db2.gz NMXNKSNTFBDKNC-ZWNOBZJWSA-N -1 3 304.369 2.871 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000279717110 427714623 /nfs/dbraw/zinc/71/46/23/427714623.db2.gz UDFKIQSHPRNRJK-LRDDRELGSA-N -1 3 311.809 2.734 20 10 DFCDHM CC[C@@H](NCc1nnc2n1CCCC2)c1ccc(C)cc1[O-] ZINC000279942907 427726126 /nfs/dbraw/zinc/72/61/26/427726126.db2.gz BHUYDXAIQRQTDN-CQSZACIVSA-N -1 3 300.406 2.869 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H](n3cccn3)C2)c1[O-] ZINC000370175157 428152867 /nfs/dbraw/zinc/15/28/67/428152867.db2.gz LGVGZPGTHNSWPI-OAHLLOKOSA-N -1 3 317.364 2.768 20 10 DFCDHM CCCOc1ccc(CN2CCC[C@@H]2c2ncon2)c([O-])c1 ZINC000371375528 428386354 /nfs/dbraw/zinc/38/63/54/428386354.db2.gz VCXICOFZWQRITB-CQSZACIVSA-N -1 3 303.362 2.901 20 10 DFCDHM CCCC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000373223973 428525107 /nfs/dbraw/zinc/52/51/07/428525107.db2.gz NEGSAYWYMATVEJ-UHFFFAOYSA-N -1 3 310.825 2.880 20 10 DFCDHM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(F)ccc1[O-])C[C@H](C)O2 ZINC000373979273 428657055 /nfs/dbraw/zinc/65/70/55/428657055.db2.gz WDZFPLGGDDAATK-IGCXYCKISA-N -1 3 309.381 2.690 20 10 DFCDHM NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(Cl)ccc1[O-] ZINC000374306584 428673762 /nfs/dbraw/zinc/67/37/62/428673762.db2.gz FIMDGPPXXRYXBN-INIZCTEOSA-N -1 3 316.788 2.630 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@@H](C2CCCCC2)C1 ZINC000365754555 429367186 /nfs/dbraw/zinc/36/71/86/429367186.db2.gz SDNXFIIXLQCWHE-OAHLLOKOSA-N -1 3 305.374 2.519 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@@H]1c1nc(C)no1 ZINC000368029118 429770026 /nfs/dbraw/zinc/77/00/26/429770026.db2.gz HTXJOSMQFYQCOI-UONOGXRCSA-N -1 3 303.362 2.608 20 10 DFCDHM CCCN(Cc1coc(S(C)(=O)=O)c1)Cc1ccccc1[O-] ZINC000528398059 429884834 /nfs/dbraw/zinc/88/48/34/429884834.db2.gz WHNSRBXWFHUNQF-UHFFFAOYSA-N -1 3 323.414 2.801 20 10 DFCDHM Cc1ncccc1O[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000368978019 429905713 /nfs/dbraw/zinc/90/57/13/429905713.db2.gz NKFIZQLINPKUOR-CQSZACIVSA-N -1 3 302.349 2.888 20 10 DFCDHM C[C@]1(O)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000369124397 429914227 /nfs/dbraw/zinc/91/42/27/429914227.db2.gz DRDXLIRVJASQMT-AWEZNQCLSA-N -1 3 314.769 2.691 20 10 DFCDHM Cc1nnnn1-c1cccc(N[C@H](C)c2ccc(F)cc2[O-])c1 ZINC000170789401 332636687 /nfs/dbraw/zinc/63/66/87/332636687.db2.gz VADQSOCJDVGWLK-SNVBAGLBSA-N -1 3 313.336 2.989 20 10 DFCDHM COc1ccncc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293981550 335116455 /nfs/dbraw/zinc/11/64/55/335116455.db2.gz BJUGPNJHIYOQPF-SNVBAGLBSA-N -1 3 303.318 2.555 20 10 DFCDHM COC[C@]1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295177941 335130777 /nfs/dbraw/zinc/13/07/77/335130777.db2.gz VHFLKRNPSQIXHQ-CQSZACIVSA-N -1 3 314.769 2.812 20 10 DFCDHM O=C(Nc1nc2c(s1)CSCC2)c1cccc(O)c1[O-] ZINC000376106233 337027076 /nfs/dbraw/zinc/02/70/76/337027076.db2.gz HAXPKJSCRJPKFE-UHFFFAOYSA-N -1 3 308.384 2.596 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCc2ccccc2[C@H]1C(N)=O ZINC000377659821 337057880 /nfs/dbraw/zinc/05/78/80/337057880.db2.gz QQUQRDHFYXLCFA-AEFFLSMTSA-N -1 3 310.397 2.928 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000377681978 337058211 /nfs/dbraw/zinc/05/82/11/337058211.db2.gz RSHHTFCEOIQUJW-QGZVFWFLSA-N -1 3 309.381 2.574 20 10 DFCDHM Cc1ccc(C(=O)NCc2ccccc2-n2cccn2)c([O-])c1O ZINC000182243996 337187614 /nfs/dbraw/zinc/18/76/14/337187614.db2.gz SPSLSWHSKLORNY-UHFFFAOYSA-N -1 3 323.352 2.522 20 10 DFCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nnc2n1CCCC2 ZINC000185585474 337249175 /nfs/dbraw/zinc/24/91/75/337249175.db2.gz VQGWWNZEPOLULW-WDEREUQCSA-N -1 3 304.369 2.871 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCc2[nH]c3ccccc3c2C1 ZINC000186820715 337259974 /nfs/dbraw/zinc/25/99/74/337259974.db2.gz YGNXRALUDTZVDJ-UHFFFAOYSA-N -1 3 308.337 2.778 20 10 DFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1-n1cccn1 ZINC000193133734 337309746 /nfs/dbraw/zinc/30/97/46/337309746.db2.gz NYTUSLMTNZOCQP-LBPRGKRZSA-N -1 3 323.352 2.775 20 10 DFCDHM O=C(/C=C\c1cncc([O-])c1)N1CCc2cc(F)c(F)cc21 ZINC000492986759 339914210 /nfs/dbraw/zinc/91/42/10/339914210.db2.gz CIGGVAVTLGIEAL-UPHRSURJSA-N -1 3 302.280 2.668 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN(CC(C)(C)O)C2CC2)c1[O-] ZINC000189992359 518277084 /nfs/dbraw/zinc/27/70/84/518277084.db2.gz PTBVOTKIQKKGBA-UHFFFAOYSA-N -1 3 311.809 2.984 20 10 DFCDHM CC(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158017522 519513880 /nfs/dbraw/zinc/51/38/80/519513880.db2.gz GMGZLWQKJDPFRD-AWEZNQCLSA-N -1 3 310.825 2.782 20 10 DFCDHM CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000272215661 534513308 /nfs/dbraw/zinc/51/33/08/534513308.db2.gz BCNOCXYEAZDFOJ-CYBMUJFWSA-N -1 3 308.397 2.658 20 10 DFCDHM COC(=O)CN(C)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182994560 523146641 /nfs/dbraw/zinc/14/66/41/523146641.db2.gz BIZOUBQJDTZRMZ-UHFFFAOYSA-N -1 3 315.369 2.576 20 10 DFCDHM C[C@H]1CN(Cc2cc(F)ccc2[O-])CCN1CC(F)(F)F ZINC000180289225 524611663 /nfs/dbraw/zinc/61/16/63/524611663.db2.gz XZTIAOFQMAXEIG-JTQLQIEISA-N -1 3 306.303 2.600 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCC[C@H]2c2nncn2C)c1[O-] ZINC000180562805 524866423 /nfs/dbraw/zinc/86/64/23/524866423.db2.gz DTXRWUBPVFHVPQ-ZDUSSCGKSA-N -1 3 306.797 2.820 20 10 DFCDHM CCOc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736645455 598864613 /nfs/dbraw/zinc/86/46/13/598864613.db2.gz YCVZKEOSJVJQHA-UHFFFAOYSA-N -1 3 309.373 2.902 20 10 DFCDHM CCOc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736645455 598864614 /nfs/dbraw/zinc/86/46/14/598864614.db2.gz YCVZKEOSJVJQHA-UHFFFAOYSA-N -1 3 309.373 2.902 20 10 DFCDHM CCOc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736644836 598864734 /nfs/dbraw/zinc/86/47/34/598864734.db2.gz QYMTZUAJQUOFRE-UHFFFAOYSA-N -1 3 309.373 2.902 20 10 DFCDHM CCOc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736644836 598864735 /nfs/dbraw/zinc/86/47/35/598864735.db2.gz QYMTZUAJQUOFRE-UHFFFAOYSA-N -1 3 309.373 2.902 20 10 DFCDHM Cc1cc(N(C)C)ccc1CNCc1ccc(NC(=O)[O-])nc1 ZINC000830073584 603555453 /nfs/dbraw/zinc/55/54/53/603555453.db2.gz TUIHFMWMITWLHX-UHFFFAOYSA-N -1 3 314.389 2.836 20 10 DFCDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[O-] ZINC000834161724 605585481 /nfs/dbraw/zinc/58/54/81/605585481.db2.gz DHBAEWJNHBTTEN-AGUYFDCRSA-N -1 3 308.353 2.684 20 10 DFCDHM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[O-] ZINC000834161724 605585484 /nfs/dbraw/zinc/58/54/84/605585484.db2.gz DHBAEWJNHBTTEN-AGUYFDCRSA-N -1 3 308.353 2.684 20 10 DFCDHM O=C([O-])N1CC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000834068518 605737026 /nfs/dbraw/zinc/73/70/26/605737026.db2.gz WKRZPQNILRWSHG-UHFFFAOYSA-N -1 3 312.369 2.759 20 10 DFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821828330 606881428 /nfs/dbraw/zinc/88/14/28/606881428.db2.gz SLMLMZVUAMALSB-UHFFFAOYSA-N -1 3 313.336 2.651 20 10 DFCDHM COc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821828330 606881430 /nfs/dbraw/zinc/88/14/30/606881430.db2.gz SLMLMZVUAMALSB-UHFFFAOYSA-N -1 3 313.336 2.651 20 10 DFCDHM Oc1ccccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000826511139 608376708 /nfs/dbraw/zinc/37/67/08/608376708.db2.gz DDQMMQNGIHMLBH-UHFFFAOYSA-N -1 3 318.340 2.733 20 10 DFCDHM Oc1ccccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000826511139 608376709 /nfs/dbraw/zinc/37/67/09/608376709.db2.gz DDQMMQNGIHMLBH-UHFFFAOYSA-N -1 3 318.340 2.733 20 10 DFCDHM Cc1c(Cl)cnc(NCc2ccccc2O)c1-c1nnn[n-]1 ZINC000826240167 609544623 /nfs/dbraw/zinc/54/46/23/609544623.db2.gz GUIHTIAYAWTFSU-UHFFFAOYSA-N -1 3 316.752 2.541 20 10 DFCDHM Cc1c(Cl)cnc(NCc2ccccc2O)c1-c1nn[n-]n1 ZINC000826240167 609544625 /nfs/dbraw/zinc/54/46/25/609544625.db2.gz GUIHTIAYAWTFSU-UHFFFAOYSA-N -1 3 316.752 2.541 20 10 DFCDHM Cn1cc([C@@]2(C)CN(Cc3cc(Cl)ccc3[O-])CCO2)cn1 ZINC000092016600 398552375 /nfs/dbraw/zinc/55/23/75/398552375.db2.gz QPJJSZIFUHQOKQ-MRXNPFEDSA-N -1 3 321.808 2.527 20 10 DFCDHM C[C@H](O)C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000092969109 398610522 /nfs/dbraw/zinc/61/05/22/398610522.db2.gz FSGZGPFXFGVAPY-JTQLQIEISA-N -1 3 314.223 2.748 20 10 DFCDHM COc1ccc([C@H](CO)N(C)Cc2cccc(F)c2[O-])cc1 ZINC000272214323 130008082 /nfs/dbraw/zinc/00/80/82/130008082.db2.gz AZCSMRKMBFXKHL-INIZCTEOSA-N -1 3 305.349 2.705 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCCN(CC(F)(F)F)CC1 ZINC000272246375 130011851 /nfs/dbraw/zinc/01/18/51/130011851.db2.gz HNVIIWVBUPHMKV-UHFFFAOYSA-N -1 3 306.303 2.601 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2ccncc2)CC1 ZINC000272857756 130070030 /nfs/dbraw/zinc/07/00/30/130070030.db2.gz ULXRGTCHNVOGTM-UHFFFAOYSA-N -1 3 317.820 2.758 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](CO)c2ccccc2)c1 ZINC000273549270 130134968 /nfs/dbraw/zinc/13/49/68/130134968.db2.gz FQZCZSZKPSREFQ-MLGOLLRUSA-N -1 3 315.369 2.563 20 10 DFCDHM CC(=O)N(C[C@@H]1CCCN1Cc1cccc(F)c1[O-])C1CC1 ZINC000275779111 130383804 /nfs/dbraw/zinc/38/38/04/130383804.db2.gz RRNGUDKMXCIERU-HNNXBMFYSA-N -1 3 306.381 2.507 20 10 DFCDHM CC[C@@H](NCCS(=O)(=O)CC)c1cccc(Cl)c1[O-] ZINC000287267642 286908515 /nfs/dbraw/zinc/90/85/15/286908515.db2.gz ASZAXDRKFUZENL-GFCCVEGCSA-N -1 3 305.827 2.521 20 10 DFCDHM C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000189009852 287045376 /nfs/dbraw/zinc/04/53/76/287045376.db2.gz SPJLCPKZIOUZHW-SFYZADRCSA-N -1 3 305.205 2.826 20 10 DFCDHM Cc1cc(Br)cc(CN2CCCOCC2)c1[O-] ZINC000124555254 425925406 /nfs/dbraw/zinc/92/54/06/425925406.db2.gz IROHIVJQADPYOQ-UHFFFAOYSA-N -1 3 300.196 2.685 20 10 DFCDHM C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)Cc1ccccc1[O-] ZINC000109768891 426032671 /nfs/dbraw/zinc/03/26/71/426032671.db2.gz CPNYRMNCKWGCNA-QLFBSQMISA-N -1 3 304.434 2.717 20 10 DFCDHM CN(Cc1ccccc1[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112347742 426073351 /nfs/dbraw/zinc/07/33/51/426073351.db2.gz FMOGMEKGPYWYAM-MRXNPFEDSA-N -1 3 314.360 2.769 20 10 DFCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc(OC)cc1[O-] ZINC000078762807 426185056 /nfs/dbraw/zinc/18/50/56/426185056.db2.gz AATYDXKCDQUULI-MRXNPFEDSA-N -1 3 318.417 2.944 20 10 DFCDHM CC1(C)CN(Cc2c([O-])ccc3ccccc32)CCS1(=O)=O ZINC000151446893 426296452 /nfs/dbraw/zinc/29/64/52/426296452.db2.gz JGVWORRTMFZKCJ-UHFFFAOYSA-N -1 3 319.426 2.554 20 10 DFCDHM COC(=O)CN(Cc1ccncc1)Cc1cc(Cl)ccc1[O-] ZINC000121232600 426327160 /nfs/dbraw/zinc/32/71/60/426327160.db2.gz DJRIBBGISZMQBZ-UHFFFAOYSA-N -1 3 320.776 2.616 20 10 DFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000153994678 426416680 /nfs/dbraw/zinc/41/66/80/426416680.db2.gz USKZYCDGEVRYLY-LLVKDONJSA-N -1 3 312.797 2.756 20 10 DFCDHM COCCN(Cc1cc(F)cc(C(C)=O)c1[O-])CC(F)(F)F ZINC000177284197 426463296 /nfs/dbraw/zinc/46/32/96/426463296.db2.gz MRCVXWGDXLEIND-UHFFFAOYSA-N -1 3 323.286 2.745 20 10 DFCDHM C[C@@H](NCc1ncccc1N(C)C)c1ccc(F)c(F)c1[O-] ZINC000289607446 426670401 /nfs/dbraw/zinc/67/04/01/426670401.db2.gz CWJQENPYYCAXMU-SNVBAGLBSA-N -1 3 307.344 2.982 20 10 DFCDHM CC[C@]1(CO)CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000187624063 426678512 /nfs/dbraw/zinc/67/85/12/426678512.db2.gz CFZRFAYUGCUIKL-KRWDZBQOSA-N -1 3 309.381 2.718 20 10 DFCDHM CNC(=O)OC[C@@H]1CCCCN1Cc1cccc(Cl)c1[O-] ZINC000290251510 426727093 /nfs/dbraw/zinc/72/70/93/426727093.db2.gz VUOYDNXUYLDWKP-LBPRGKRZSA-N -1 3 312.797 2.756 20 10 DFCDHM COc1cccc(C2(CNC(=O)c3cccc(O)c3[O-])CC2)c1 ZINC000291301044 426883822 /nfs/dbraw/zinc/88/38/22/426883822.db2.gz SJRBRPIEKALYMN-UHFFFAOYSA-N -1 3 313.353 2.568 20 10 DFCDHM [O-]c1c(F)cccc1CN[C@@]1(CO)CCCc2ccccc21 ZINC000282424004 426909519 /nfs/dbraw/zinc/90/95/19/426909519.db2.gz SUNQLGSTSDDNHG-GOSISDBHSA-N -1 3 301.361 2.845 20 10 DFCDHM O=C1[C@@H](NCc2cccc(F)c2[O-])CCCN1C1CCCCC1 ZINC000276711545 427119102 /nfs/dbraw/zinc/11/91/02/427119102.db2.gz GTWZDZPCXPTUSL-INIZCTEOSA-N -1 3 320.408 2.945 20 10 DFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@@H]1CC=CCC1 ZINC000277151328 427137008 /nfs/dbraw/zinc/13/70/08/427137008.db2.gz APQNXVYBASNKQX-CYBMUJFWSA-N -1 3 320.776 2.919 20 10 DFCDHM CC[C@@H](C)c1nc([C@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277511737 427227332 /nfs/dbraw/zinc/22/73/32/427227332.db2.gz WLXDSULEEUAGSY-ZJUUUORDSA-N -1 3 319.365 2.783 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCN(C3CC3)C[C@@H](C)C2)c1[O-] ZINC000296789876 427235622 /nfs/dbraw/zinc/23/56/22/427235622.db2.gz SRJFBDKLVIOJNC-LBPRGKRZSA-N -1 3 320.408 2.650 20 10 DFCDHM C[C@H]1CCC[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277643474 427272322 /nfs/dbraw/zinc/27/23/22/427272322.db2.gz DOXZLAGHRXSDAE-GXFFZTMASA-N -1 3 322.792 2.998 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CNCc2ccc3c(n2)CCCC3)c1 ZINC000277763527 427311316 /nfs/dbraw/zinc/31/13/16/427311316.db2.gz SIKWWXUMRBFEDK-UHFFFAOYSA-N -1 3 313.357 2.864 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC2(CC1)OCCCO2 ZINC000293583941 427369945 /nfs/dbraw/zinc/36/99/45/427369945.db2.gz HYASNWGUEWWDJX-UHFFFAOYSA-N -1 3 315.772 2.914 20 10 DFCDHM CCN(C)C(=O)CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278837334 427469779 /nfs/dbraw/zinc/46/97/79/427469779.db2.gz UOLKSEGPUKJLMA-MRVPVSSYSA-N -1 3 305.205 2.828 20 10 DFCDHM COc1c([O-])c(CN2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278166031 427425653 /nfs/dbraw/zinc/42/56/53/427425653.db2.gz FEXZGDJMBXNNAX-UWVGGRQHSA-N -1 3 312.391 2.635 20 10 DFCDHM CCc1cnc(CNCc2ccc([N+](=O)[O-])c(OC)c2[O-])s1 ZINC000278295114 427427904 /nfs/dbraw/zinc/42/79/04/427427904.db2.gz CAISQYJQKFZOMA-UHFFFAOYSA-N -1 3 323.374 2.618 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325691 427431125 /nfs/dbraw/zinc/43/11/25/427431125.db2.gz GORBUXQHYNWTPT-RISCZKNCSA-N -1 3 324.396 2.876 20 10 DFCDHM CO[C@H](C)c1noc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000271189969 427437592 /nfs/dbraw/zinc/43/75/92/427437592.db2.gz FVBZHPFTTHKDGT-SECBINFHSA-N -1 3 311.769 2.768 20 10 DFCDHM C[C@H]1CN(C2CCOCC2)CCN1Cc1cccc(Cl)c1[O-] ZINC000278676380 427445944 /nfs/dbraw/zinc/44/59/44/427445944.db2.gz NPYNYZOBDWFXDX-ZDUSSCGKSA-N -1 3 324.852 2.731 20 10 DFCDHM CCCNC(=O)CN[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192608611 427572926 /nfs/dbraw/zinc/57/29/26/427572926.db2.gz HIMYVSDSDNKDCW-MRVPVSSYSA-N -1 3 305.205 2.876 20 10 DFCDHM CN(C)C(=O)O[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000294792278 427659419 /nfs/dbraw/zinc/65/94/19/427659419.db2.gz MAVJOWKAWGLGIA-NSHDSACASA-N -1 3 312.797 2.708 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000193079798 427660151 /nfs/dbraw/zinc/66/01/51/427660151.db2.gz LKVVPQWCLMBRIG-ZDUSSCGKSA-N -1 3 315.344 2.942 20 10 DFCDHM CCC(CC)[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000193154613 427675758 /nfs/dbraw/zinc/67/57/58/427675758.db2.gz WMOCMEDXEGKUPT-DOMZBBRYSA-N -1 3 307.390 2.811 20 10 DFCDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000369879106 428082273 /nfs/dbraw/zinc/08/22/73/428082273.db2.gz XCUIXCQLWAEMAZ-NVXWUHKLSA-N -1 3 309.381 2.691 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCO[C@@H]3CCC[C@H]32)c1[O-] ZINC000370170917 428149359 /nfs/dbraw/zinc/14/93/59/428149359.db2.gz VWUYHYSMWGKYRX-HZPDHXFCSA-N -1 3 307.365 2.877 20 10 DFCDHM [O-]c1ccccc1CNCc1nnc(-c2ccncc2F)s1 ZINC000373470969 428585446 /nfs/dbraw/zinc/58/54/46/428585446.db2.gz ACSMQSRSXZQESW-UHFFFAOYSA-N -1 3 316.361 2.735 20 10 DFCDHM COc1cccc([C@H]2C[C@H](O)CN2Cc2cccc(F)c2[O-])c1 ZINC000374361991 428675918 /nfs/dbraw/zinc/67/59/18/428675918.db2.gz YIJXFUBOUPZSBE-WMLDXEAASA-N -1 3 317.360 2.848 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374412917 428679222 /nfs/dbraw/zinc/67/92/22/428679222.db2.gz WGUKKCVFKJHYEM-OLZOCXBDSA-N -1 3 307.365 2.592 20 10 DFCDHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cccc(O)c1[O-] ZINC000365759484 429368602 /nfs/dbraw/zinc/36/86/02/429368602.db2.gz TUWVSNOPFQJZDS-CJNGLKHVSA-N -1 3 313.353 2.605 20 10 DFCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCCOC2)O1 ZINC000366467221 429458571 /nfs/dbraw/zinc/45/85/71/429458571.db2.gz RDBDIUHBLLDEOX-BLLLJJGKSA-N -1 3 311.809 2.816 20 10 DFCDHM COc1ccc(N(C)C(=O)/C=C\c2cncc([O-])c2)cc1F ZINC000493656632 429804132 /nfs/dbraw/zinc/80/41/32/429804132.db2.gz RYQDFNPSAIRCCL-UTCJRWHESA-N -1 3 302.305 2.611 20 10 DFCDHM CN(C)c1ccc(C2=CCN(C(=O)c3cccc([O-])c3)C2)cc1 ZINC000368008646 429765337 /nfs/dbraw/zinc/76/53/37/429765337.db2.gz UBINNFPEJBHRIK-UHFFFAOYSA-N -1 3 308.381 2.998 20 10 DFCDHM CCn1ncc(CN[C@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000527923534 429821212 /nfs/dbraw/zinc/82/12/12/429821212.db2.gz KGANFCSZSYOHFX-SECBINFHSA-N -1 3 314.311 2.873 20 10 DFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1CC=CC1 ZINC000530203347 430102851 /nfs/dbraw/zinc/10/28/51/430102851.db2.gz SFHIKWGFNYQUFE-UHFFFAOYSA-N -1 3 320.776 2.776 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2NC(=O)CC23CCCCC3)c1[O-] ZINC000289443006 277105992 /nfs/dbraw/zinc/10/59/92/277105992.db2.gz WQNPHGLZYSUCAC-UHFFFAOYSA-N -1 3 320.364 2.674 20 10 DFCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC2(CCOCC2)O1 ZINC000280444175 300270936 /nfs/dbraw/zinc/27/09/36/300270936.db2.gz KREGBCFSTXQKJO-LBPRGKRZSA-N -1 3 311.809 2.816 20 10 DFCDHM Cc1cc(Br)cc(CN2CCOC[C@@H](C)C2)c1[O-] ZINC000378446517 333039245 /nfs/dbraw/zinc/03/92/45/333039245.db2.gz ZLCKWTPCRSZODZ-JTQLQIEISA-N -1 3 314.223 2.931 20 10 DFCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000294797364 335127418 /nfs/dbraw/zinc/12/74/18/335127418.db2.gz VSQSLXLPOUZNKF-MWLCHTKSSA-N -1 3 315.772 2.816 20 10 DFCDHM Cc1ccc(C(=O)N2CCC3(CCC(O)CC3)CC2)c([O-])c1O ZINC000295750232 335137481 /nfs/dbraw/zinc/13/74/81/335137481.db2.gz ORZWXBODJXFKOY-UHFFFAOYSA-N -1 3 319.401 2.564 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CC([C@H]2CCOC2)C1 ZINC000368442567 336844875 /nfs/dbraw/zinc/84/48/75/336844875.db2.gz POKVZWFCVHBKEN-JTQLQIEISA-N -1 3 312.207 2.623 20 10 DFCDHM O=C(NC1CCN(Cc2cccc(F)c2[O-])CC1)c1ccoc1 ZINC000373113421 336948704 /nfs/dbraw/zinc/94/87/04/336948704.db2.gz SQTCYJPBZDSOLI-UHFFFAOYSA-N -1 3 318.348 2.519 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])c2ccccc2C(=O)N1 ZINC000378127825 337066805 /nfs/dbraw/zinc/06/68/05/337066805.db2.gz MZTOWTZFVPSARK-LLVKDONJSA-N -1 3 300.333 2.670 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCCN(c2cncc(F)c2)CC1 ZINC000360019694 337083820 /nfs/dbraw/zinc/08/38/20/337083820.db2.gz SGSSAYVMBLXHDT-UHFFFAOYSA-N -1 3 319.355 2.778 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCCC[C@H]1CN1CCOCC1 ZINC000180027731 337173223 /nfs/dbraw/zinc/17/32/23/337173223.db2.gz JAILOVUJYXSNDA-HNNXBMFYSA-N -1 3 324.852 2.732 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c([O-])c1O ZINC000182543881 337188807 /nfs/dbraw/zinc/18/88/07/337188807.db2.gz WFLURJYNHNGGFO-KBPBESRZSA-N -1 3 315.373 2.516 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000191154701 337292571 /nfs/dbraw/zinc/29/25/71/337292571.db2.gz BPEGEUVOBFEROU-LLVKDONJSA-N -1 3 324.787 2.688 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](n2cncn2)C1 ZINC000191328130 337296099 /nfs/dbraw/zinc/29/60/99/337296099.db2.gz ZCLMZTOXSKUIMX-SNVBAGLBSA-N -1 3 310.760 2.613 20 10 DFCDHM CCn1ncc(CN[C@@H](C)c2cccc(C(F)(F)F)c2[O-])n1 ZINC000527923535 337775427 /nfs/dbraw/zinc/77/54/27/337775427.db2.gz KGANFCSZSYOHFX-VIFPVBQESA-N -1 3 314.311 2.873 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2[C@@H](C)O)c1[O-] ZINC000267393832 518279215 /nfs/dbraw/zinc/27/92/15/518279215.db2.gz PKBVSDYEJJIZDM-ABAIWWIYSA-N -1 3 311.809 2.984 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H]3CCCC[C@H]32)c1[O-] ZINC000249890924 518286212 /nfs/dbraw/zinc/28/62/12/518286212.db2.gz SUZWHHNOPIFCNH-CVEARBPZSA-N -1 3 307.365 2.877 20 10 DFCDHM CCCOc1ccc(CN(CC)C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000189863923 520345402 /nfs/dbraw/zinc/34/54/02/520345402.db2.gz OHGCQXFNTVCBAK-CQSZACIVSA-N -1 3 321.339 2.926 20 10 DFCDHM CCc1nc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000182426786 522449656 /nfs/dbraw/zinc/44/96/56/522449656.db2.gz GWVRNYFWCQWXBN-VIFPVBQESA-N -1 3 306.387 2.916 20 10 DFCDHM COC(=O)[C@@]1(C)CCCN1Cc1cc(Cl)cc(OC)c1[O-] ZINC000189989354 523828258 /nfs/dbraw/zinc/82/82/58/523828258.db2.gz FZDMWSCMLIVGAD-OAHLLOKOSA-N -1 3 313.781 2.582 20 10 DFCDHM Cc1ccc(C(=O)N(C)Cc2cccc(N(C)C)c2)c([O-])c1O ZINC000182843973 526059908 /nfs/dbraw/zinc/05/99/08/526059908.db2.gz XYYJTGUPFKLTEZ-UHFFFAOYSA-N -1 3 314.385 2.744 20 10 DFCDHM CC[N@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccc(OC)cc21 ZINC000737097371 600425914 /nfs/dbraw/zinc/42/59/14/600425914.db2.gz YMRHGIFFZPEEFX-UHFFFAOYSA-N -1 3 303.358 2.851 20 10 DFCDHM CC[N@@H+](CCC(=O)[O-])Cc1c([O-])ccc2ccc(OC)cc21 ZINC000737097371 600425918 /nfs/dbraw/zinc/42/59/18/600425918.db2.gz YMRHGIFFZPEEFX-UHFFFAOYSA-N -1 3 303.358 2.851 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@](C)(C(=O)[O-])C3)c2c1 ZINC000832504412 601892603 /nfs/dbraw/zinc/89/26/03/601892603.db2.gz NSBVQRABPTYXEQ-GOSISDBHSA-N -1 3 315.369 2.851 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)c2c1 ZINC000832504412 601892605 /nfs/dbraw/zinc/89/26/05/601892605.db2.gz NSBVQRABPTYXEQ-GOSISDBHSA-N -1 3 315.369 2.851 20 10 DFCDHM CCN(CC)c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821198447 606050046 /nfs/dbraw/zinc/05/00/46/606050046.db2.gz UZIANIKGERZLDK-UHFFFAOYSA-N -1 3 323.404 2.720 20 10 DFCDHM CCN(CC)c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000821198447 606050051 /nfs/dbraw/zinc/05/00/51/606050051.db2.gz UZIANIKGERZLDK-UHFFFAOYSA-N -1 3 323.404 2.720 20 10 DFCDHM COCCN(Cc1cc(Br)ccc1[O-])CC(F)F ZINC000092965754 193189270 /nfs/dbraw/zinc/18/92/70/193189270.db2.gz VFHDPRVKKBKUIJ-UHFFFAOYSA-N -1 3 324.165 2.868 20 10 DFCDHM CC(=O)N1CCN(Cc2cccc(F)c2[O-])CC12CCCCC2 ZINC000272411162 130027516 /nfs/dbraw/zinc/02/75/16/130027516.db2.gz KYCJKMKSPUHSAO-UHFFFAOYSA-N -1 3 320.408 2.898 20 10 DFCDHM C[S@@](=O)C[C@H](NCc1cccc(F)c1[O-])c1ccccc1 ZINC000274176990 130214187 /nfs/dbraw/zinc/21/41/87/130214187.db2.gz CJNMZQVYONBPNS-YCRPNKLZSA-N -1 3 307.390 2.741 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](CCO)c2ccco2)c1 ZINC000274459830 130237633 /nfs/dbraw/zinc/23/76/33/130237633.db2.gz NYIKWJWXUYAGAY-SMDDNHRTSA-N -1 3 319.357 2.546 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N(CC1CCC1)CC(F)(F)F ZINC000275152710 130296485 /nfs/dbraw/zinc/29/64/85/130296485.db2.gz SEAGNXTWPZBIHW-UHFFFAOYSA-N -1 3 303.280 2.902 20 10 DFCDHM Cc1ccc(C(=O)N2CCCCC[C@H]2c2ncon2)c([O-])c1O ZINC000276158669 130448160 /nfs/dbraw/zinc/44/81/60/130448160.db2.gz CXUQBVDVQPNJMW-LBPRGKRZSA-N -1 3 317.345 2.547 20 10 DFCDHM Cc1cc(Cl)cc(CN[C@H](c2nncn2C)C(C)C)c1[O-] ZINC000289070399 131356093 /nfs/dbraw/zinc/35/60/93/131356093.db2.gz AEIWXGRMPLWOPD-ZDUSSCGKSA-N -1 3 308.813 2.969 20 10 DFCDHM COc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])c(OC)n1 ZINC000290268639 286312050 /nfs/dbraw/zinc/31/20/50/286312050.db2.gz VWYODDMQQIXART-VIFPVBQESA-N -1 3 324.327 2.933 20 10 DFCDHM C[C@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccccc1[O-] ZINC000109773031 426033032 /nfs/dbraw/zinc/03/30/32/426033032.db2.gz BDOIHTYKSRHXCO-CYBMUJFWSA-N -1 3 316.376 2.668 20 10 DFCDHM CC1CCC(N(C)C(=O)CN(C)Cc2ccccc2[O-])CC1 ZINC000111236292 426038573 /nfs/dbraw/zinc/03/85/73/426038573.db2.gz HHIWLJYCUBKFNM-UHFFFAOYSA-N -1 3 304.434 2.861 20 10 DFCDHM Cc1ccsc1CNC(=O)CN(C)Cc1ccccc1[O-] ZINC000111236377 426039792 /nfs/dbraw/zinc/03/97/92/426039792.db2.gz LFPYUVYETJRAJL-UHFFFAOYSA-N -1 3 304.415 2.510 20 10 DFCDHM CN(CC(=O)N(C)Cc1ccc(F)cc1)Cc1ccccc1[O-] ZINC000114721342 426143340 /nfs/dbraw/zinc/14/33/40/426143340.db2.gz LFJVWHWZVOMDQW-UHFFFAOYSA-N -1 3 316.376 2.622 20 10 DFCDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc(OC)cc1[O-] ZINC000078762810 426184887 /nfs/dbraw/zinc/18/48/87/426184887.db2.gz AATYDXKCDQUULI-INIZCTEOSA-N -1 3 318.417 2.944 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCN(CC(F)(F)F)CC1 ZINC000134088043 426185062 /nfs/dbraw/zinc/18/50/62/426185062.db2.gz IKBWMAZYCKCVCW-UHFFFAOYSA-N -1 3 308.731 2.726 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cnn(C)c2)c1[O-] ZINC000175638038 426318856 /nfs/dbraw/zinc/31/88/56/426318856.db2.gz BDVINNVJYRBNTO-INIZCTEOSA-N -1 3 317.364 2.805 20 10 DFCDHM CCOC[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000175673611 426320210 /nfs/dbraw/zinc/32/02/10/426320210.db2.gz FPGREDBTPVYRNW-CYBMUJFWSA-N -1 3 309.381 2.982 20 10 DFCDHM CCN(Cc1c[nH]cn1)Cc1cc(Br)ccc1[O-] ZINC000093866956 426359791 /nfs/dbraw/zinc/35/97/91/426359791.db2.gz LLVGKICFPQSRMN-UHFFFAOYSA-N -1 3 310.195 2.900 20 10 DFCDHM Cc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)c([O-])c1O ZINC000177660440 426502693 /nfs/dbraw/zinc/50/26/93/426502693.db2.gz ZFTBUDKFAADHKN-LBPRGKRZSA-N -1 3 320.414 2.500 20 10 DFCDHM COc1cc(Cl)cc(CN[C@H](c2nncn2C)C(C)C)c1[O-] ZINC000289683051 426673028 /nfs/dbraw/zinc/67/30/28/426673028.db2.gz ZTLBLWMBDNWVKC-ZDUSSCGKSA-N -1 3 324.812 2.670 20 10 DFCDHM Cc1csc([C@@H](NC(=O)c2cccc(O)c2[O-])C2CC2)n1 ZINC000187132890 426630504 /nfs/dbraw/zinc/63/05/04/426630504.db2.gz NNOYLFOUPLCNHH-LBPRGKRZSA-N -1 3 304.371 2.744 20 10 DFCDHM CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290233546 426722073 /nfs/dbraw/zinc/72/20/73/426722073.db2.gz RYLXAFKZKDYPNM-GGVZMXCHSA-N -1 3 306.189 2.763 20 10 DFCDHM COc1ccc(CN[C@H](C)c2ccc(F)cc2[O-])c(OC)n1 ZINC000290172590 426708746 /nfs/dbraw/zinc/70/87/46/426708746.db2.gz MWDKXGVAAUZEJX-SNVBAGLBSA-N -1 3 306.337 2.794 20 10 DFCDHM CC(=O)N(C)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295260576 426880287 /nfs/dbraw/zinc/88/02/87/426880287.db2.gz GXGPWLHCNOKZSS-UHFFFAOYSA-N -1 3 314.788 2.627 20 10 DFCDHM COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1[O-] ZINC000268068905 426906893 /nfs/dbraw/zinc/90/68/93/426906893.db2.gz IXTQPGCBZRQCMJ-UHFFFAOYSA-N -1 3 314.385 2.739 20 10 DFCDHM C[C@H](NCc1cccc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000317301716 426956342 /nfs/dbraw/zinc/95/63/42/426956342.db2.gz MOEJEPXJZIQPPQ-NSHDSACASA-N -1 3 304.369 2.700 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248034648 426975198 /nfs/dbraw/zinc/97/51/98/426975198.db2.gz RGGIDXCLQGTJDU-KSSFIOAISA-N -1 3 321.392 2.861 20 10 DFCDHM CCn1cc([C@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040954 427054842 /nfs/dbraw/zinc/05/48/42/427054842.db2.gz UJHNDVIECNWVFE-NWDGAFQWSA-N -1 3 317.389 2.807 20 10 DFCDHM Cc1ccc(C(=O)N2CCOC3(C2)CCCCCC3)c([O-])c1O ZINC000182816618 427150181 /nfs/dbraw/zinc/15/01/81/427150181.db2.gz HQXUMEDMTFNFLQ-UHFFFAOYSA-N -1 3 319.401 2.972 20 10 DFCDHM Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c([O-])c1O ZINC000292466477 427182833 /nfs/dbraw/zinc/18/28/33/427182833.db2.gz MGQZYPMWOSFAMU-CJNGLKHVSA-N -1 3 317.385 2.580 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@@](=O)C[C@H](C)C2)c1[O-] ZINC000277432252 427200684 /nfs/dbraw/zinc/20/06/84/427200684.db2.gz JORJXGJRPHSUMG-GIGQVBGESA-N -1 3 301.839 2.554 20 10 DFCDHM COc1cc(Cl)cc(CN(C)Cc2nncn2C(C)C)c1[O-] ZINC000292807116 427202563 /nfs/dbraw/zinc/20/25/63/427202563.db2.gz OGSZDTYHUPVHRW-UHFFFAOYSA-N -1 3 324.812 2.859 20 10 DFCDHM CCCCCN1CC(=O)N[C@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000183632913 427304348 /nfs/dbraw/zinc/30/43/48/427304348.db2.gz FCUPKWMMQGNIBE-OAHLLOKOSA-N -1 3 312.797 2.675 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278133650 427415465 /nfs/dbraw/zinc/41/54/65/427415465.db2.gz CMJIMQZBUISDBS-MFKMUULPSA-N -1 3 307.287 2.667 20 10 DFCDHM CCOCCO[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293822946 427451007 /nfs/dbraw/zinc/45/10/07/427451007.db2.gz DJKXOLAFEVJSIV-LBPRGKRZSA-N -1 3 317.788 2.812 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](O)Cc3ccccc32)c1[O-] ZINC000278828273 427468050 /nfs/dbraw/zinc/46/80/50/427468050.db2.gz IBZWXKCHVPGJQP-OAHLLOKOSA-N -1 3 315.344 2.658 20 10 DFCDHM COc1c([O-])c(CN2CCSC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278255174 427426426 /nfs/dbraw/zinc/42/64/26/427426426.db2.gz PQHBNVJSJSCJGY-UHFFFAOYSA-N -1 3 312.391 2.636 20 10 DFCDHM CCOC(=O)CN(Cc1cc(Cl)cc(OC)c1[O-])C(C)C ZINC000184682672 427518139 /nfs/dbraw/zinc/51/81/39/427518139.db2.gz NDUSCPGYZDQZTB-UHFFFAOYSA-N -1 3 315.797 2.828 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c([O-])c1 ZINC000279615284 427713271 /nfs/dbraw/zinc/71/32/71/427713271.db2.gz GCPPEIVLPKDBEG-RDTXWAMCSA-N -1 3 321.417 2.561 20 10 DFCDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1cc(F)ccc1[O-] ZINC000185867144 427720141 /nfs/dbraw/zinc/72/01/41/427720141.db2.gz AOSXXKWPWHYUQC-SNVBAGLBSA-N -1 3 307.369 2.687 20 10 DFCDHM CC[C@H](NCc1nnc2n1CCCC2)c1ccc(C)cc1[O-] ZINC000279942905 427726476 /nfs/dbraw/zinc/72/64/76/427726476.db2.gz BHUYDXAIQRQTDN-AWEZNQCLSA-N -1 3 300.406 2.869 20 10 DFCDHM COc1ccc2c(c1)OCCN(Cc1cccc(F)c1[O-])C2 ZINC000370253542 428168306 /nfs/dbraw/zinc/16/83/06/428168306.db2.gz SSMVAOLSNDVOFU-UHFFFAOYSA-N -1 3 303.333 2.935 20 10 DFCDHM Cc1noc(C)c1CO[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000370731677 428286142 /nfs/dbraw/zinc/28/61/42/428286142.db2.gz ZAZFXMJJGCPUJK-CQSZACIVSA-N -1 3 320.364 2.927 20 10 DFCDHM [O-]c1ccccc1CN1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000374891934 428776602 /nfs/dbraw/zinc/77/66/02/428776602.db2.gz HDHGPBVRFXVORN-BBRMVZONSA-N -1 3 305.324 2.978 20 10 DFCDHM [O-]c1ccccc1CN1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000374891937 428776777 /nfs/dbraw/zinc/77/67/77/428776777.db2.gz HDHGPBVRFXVORN-CZUORRHYSA-N -1 3 305.324 2.978 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)/C=C/c1cncc([O-])c1 ZINC000491965076 429443319 /nfs/dbraw/zinc/44/33/19/429443319.db2.gz QTZQYLVOXCRPGM-BQYQJAHWSA-N -1 3 321.380 2.917 20 10 DFCDHM [O-]c1cc(OCc2ccccc2)ccc1CN1CCO[C@H]2C[C@H]21 ZINC000366517650 429469124 /nfs/dbraw/zinc/46/91/24/429469124.db2.gz GZXDHLGFZVVCMQ-MJGOQNOKSA-N -1 3 311.381 2.944 20 10 DFCDHM C[C@@H]1Oc2ccccc2[C@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000367392957 429641024 /nfs/dbraw/zinc/64/10/24/429641024.db2.gz WWNXUIOXYSEXPC-QFYYESIMSA-N -1 3 300.314 2.912 20 10 DFCDHM COc1cccc(-n2cc(CN[C@H](C)c3ccccc3[O-])nn2)c1 ZINC000367798641 429718514 /nfs/dbraw/zinc/71/85/14/429718514.db2.gz ALZDLXKLTRLIHC-CYBMUJFWSA-N -1 3 324.384 2.832 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@H]1c1nc(C)no1 ZINC000368029116 429770322 /nfs/dbraw/zinc/77/03/22/429770322.db2.gz HTXJOSMQFYQCOI-KBPBESRZSA-N -1 3 303.362 2.608 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000369101495 429912844 /nfs/dbraw/zinc/91/28/44/429912844.db2.gz XVWTXOLETYLDLJ-HNNXBMFYSA-N -1 3 321.808 2.714 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H]2COC[C@H]21 ZINC000369213436 429920107 /nfs/dbraw/zinc/92/01/07/429920107.db2.gz HQWXCIDAKRLFRD-GXFFZTMASA-N -1 3 312.207 2.766 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)c([O-])c1O ZINC000182524927 301496870 /nfs/dbraw/zinc/49/68/70/301496870.db2.gz ZZHKZJRRGWGVIL-UHFFFAOYSA-N -1 3 303.280 2.821 20 10 DFCDHM C[C@@H](N[C@@H](C)C(=O)NCc1ccccc1)c1ccc(F)cc1[O-] ZINC000185183977 333205236 /nfs/dbraw/zinc/20/52/36/333205236.db2.gz WBFXDVZQHPZIHJ-OLZOCXBDSA-N -1 3 316.376 2.887 20 10 DFCDHM COC(=O)C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294804893 335127809 /nfs/dbraw/zinc/12/78/09/335127809.db2.gz DOWQEUUIFZLTQF-UHFFFAOYSA-N -1 3 301.745 2.570 20 10 DFCDHM [O-]c1ccccc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000271368699 334021723 /nfs/dbraw/zinc/02/17/23/334021723.db2.gz OWJKWPMGQMGULG-XJKSGUPXSA-N -1 3 305.324 2.978 20 10 DFCDHM C[C@H](N[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000296351046 334232631 /nfs/dbraw/zinc/23/26/31/334232631.db2.gz IHTAAQGHSXMUTB-XVKPBYJWSA-N -1 3 303.189 2.628 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c([O-])c1O ZINC000366892676 335309490 /nfs/dbraw/zinc/30/94/90/335309490.db2.gz KUUHGABIHCTURI-NWANDNLSSA-N -1 3 319.401 2.562 20 10 DFCDHM O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cccc(O)c1[O-] ZINC000368241837 336841061 /nfs/dbraw/zinc/84/10/61/336841061.db2.gz HJZOGWCXQPMLED-CJNGLKHVSA-N -1 3 313.353 2.748 20 10 DFCDHM Cc1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)c([O-])c1O ZINC000370357017 336883208 /nfs/dbraw/zinc/88/32/08/336883208.db2.gz HBPFKUCTFLAEDJ-HNNXBMFYSA-N -1 3 313.353 2.620 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(c3nccs3)CC2)c([O-])c1O ZINC000373316868 336956173 /nfs/dbraw/zinc/95/61/73/336956173.db2.gz KBIZNLSUZRDYMS-UHFFFAOYSA-N -1 3 318.398 2.883 20 10 DFCDHM O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000375470989 337011751 /nfs/dbraw/zinc/01/17/51/337011751.db2.gz RNTRCJSFTLHFSN-KGLIPLIRSA-N -1 3 309.793 2.616 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375671323 337016133 /nfs/dbraw/zinc/01/61/33/337016133.db2.gz HJEDSEZPACEPJA-HNNXBMFYSA-N -1 3 321.808 2.714 20 10 DFCDHM CC[C@H]1CN(Cc2cccc(F)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000376441111 337033462 /nfs/dbraw/zinc/03/34/62/337033462.db2.gz ITPTZICYBITODZ-WMLDXEAASA-N -1 3 309.381 2.691 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCCN(CC(F)F)CC1 ZINC000377888907 337063557 /nfs/dbraw/zinc/06/35/57/337063557.db2.gz MNBWLCUCKSEOAI-UHFFFAOYSA-N -1 3 304.768 2.818 20 10 DFCDHM CN1CCCN(C(=O)/C=C/c2cncc([O-])c2)c2ccccc21 ZINC000182034116 337185788 /nfs/dbraw/zinc/18/57/88/337185788.db2.gz SGWDWZMFQZXVJW-BQYQJAHWSA-N -1 3 309.369 2.674 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c([O-])c1O ZINC000182903201 337190629 /nfs/dbraw/zinc/19/06/29/337190629.db2.gz BSNCDDDHXCJARZ-FZMZJTMJSA-N -1 3 313.353 2.701 20 10 DFCDHM CC(C)c1nnc2n1CCN(Cc1cc(F)ccc1[O-])[C@H]2C ZINC000188475526 337273641 /nfs/dbraw/zinc/27/36/41/337273641.db2.gz MWMHKXCENIKCJW-NSHDSACASA-N -1 3 304.369 2.823 20 10 DFCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@H]1c1ccccc1 ZINC000092675451 337907081 /nfs/dbraw/zinc/90/70/81/337907081.db2.gz HFNYYRLJPKWJRE-INIZCTEOSA-N -1 3 316.788 2.719 20 10 DFCDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C12CCC2 ZINC000182817882 520403499 /nfs/dbraw/zinc/40/34/99/520403499.db2.gz CAOGALWHRYSXNM-UONOGXRCSA-N -1 3 319.401 2.826 20 10 DFCDHM CCC[C@]1(COC)CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000193762462 521322765 /nfs/dbraw/zinc/32/27/65/521322765.db2.gz XLONKONELMSQBD-QGZVFWFLSA-N -1 3 307.390 2.828 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000157057429 521691039 /nfs/dbraw/zinc/69/10/39/521691039.db2.gz DLHATHBKODIFAC-KRWDZBQOSA-N -1 3 316.376 2.970 20 10 DFCDHM COC(=O)c1cc(CN(C)Cc2cc(F)ccc2[O-])oc1C ZINC000179894665 521835572 /nfs/dbraw/zinc/83/55/72/521835572.db2.gz WXMSYLHBCWHABR-UHFFFAOYSA-N -1 3 307.321 2.851 20 10 DFCDHM CN(C)C(=O)CC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180326131 523974446 /nfs/dbraw/zinc/97/44/46/523974446.db2.gz QSATXXVWAFKURT-UHFFFAOYSA-N -1 3 310.825 2.736 20 10 DFCDHM C[C@H](NCc1ccnn1C)c1cc(Br)ccc1[O-] ZINC000181011308 525471340 /nfs/dbraw/zinc/47/13/40/525471340.db2.gz LYGWHYVCQKEBDE-VIFPVBQESA-N -1 3 310.195 2.739 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC(Cc2ccccn2)CC1 ZINC000364818851 526769433 /nfs/dbraw/zinc/76/94/33/526769433.db2.gz WIZDNCCQKQDKOT-UHFFFAOYSA-N -1 3 312.369 2.588 20 10 DFCDHM Cn1cc([C@@H]2CSCCN2Cc2cc(F)ccc2[O-])cn1 ZINC000191735093 527304277 /nfs/dbraw/zinc/30/42/77/527304277.db2.gz RDROGRVOQCNXFW-AWEZNQCLSA-N -1 3 307.394 2.555 20 10 DFCDHM C[N@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345941 603593224 /nfs/dbraw/zinc/59/32/24/603593224.db2.gz MURHPEKWCWYBFI-ZDUSSCGKSA-N -1 3 300.358 2.730 20 10 DFCDHM C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345941 603593229 /nfs/dbraw/zinc/59/32/29/603593229.db2.gz MURHPEKWCWYBFI-ZDUSSCGKSA-N -1 3 300.358 2.730 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+](C)CCN(C)C(=O)[O-])c2c1 ZINC000833892139 605501045 /nfs/dbraw/zinc/50/10/45/605501045.db2.gz KNQMXBVWFPRQJJ-UHFFFAOYSA-N -1 3 318.373 2.596 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+](C)CCN(C)C(=O)[O-])c2c1 ZINC000833892139 605501050 /nfs/dbraw/zinc/50/10/50/605501050.db2.gz KNQMXBVWFPRQJJ-UHFFFAOYSA-N -1 3 318.373 2.596 20 10 DFCDHM COc1cccc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1O ZINC000833735597 605546782 /nfs/dbraw/zinc/54/67/82/605546782.db2.gz QCJJIZCIFJBYQE-UHFFFAOYSA-N -1 3 313.353 2.657 20 10 DFCDHM Cc1cnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)o1 ZINC000072629243 398626142 /nfs/dbraw/zinc/62/61/42/398626142.db2.gz WRGXYPCWYDIDQW-HNNXBMFYSA-N -1 3 302.374 2.870 20 10 DFCDHM CCCCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272186867 130005742 /nfs/dbraw/zinc/00/57/42/130005742.db2.gz DVTWATVEVBBSBJ-UHFFFAOYSA-N -1 3 313.781 2.737 20 10 DFCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272313998 130018625 /nfs/dbraw/zinc/01/86/25/130018625.db2.gz SDMURDBLNBHURW-GFCCVEGCSA-N -1 3 310.369 2.630 20 10 DFCDHM COC(=O)c1cc(CN(C)Cc2cccc(F)c2[O-])oc1C ZINC000272325816 130021108 /nfs/dbraw/zinc/02/11/08/130021108.db2.gz VHQJIGZHCCLDEZ-UHFFFAOYSA-N -1 3 307.321 2.851 20 10 DFCDHM C[C@H](NCCS(=O)(=O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000273441215 130122103 /nfs/dbraw/zinc/12/21/03/130122103.db2.gz YIQVYBYOXKARSU-LBPRGKRZSA-N -1 3 323.389 2.656 20 10 DFCDHM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C)c(O)c1[O-] ZINC000273480549 130126200 /nfs/dbraw/zinc/12/62/00/130126200.db2.gz ULKAHRJPUFEPFO-UHFFFAOYSA-N -1 3 323.389 2.600 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2nnc(C)s2)c1 ZINC000274197354 130215182 /nfs/dbraw/zinc/21/51/82/130215182.db2.gz KWIHILGIHZWRFX-DTWKUNHWSA-N -1 3 321.402 2.751 20 10 DFCDHM CC1CC(N2C(=O)CN(Cc3cc(Cl)ccc3[O-])C2=O)C1 ZINC000277208281 130590450 /nfs/dbraw/zinc/59/04/50/130590450.db2.gz FEGJLZYJUWOXJQ-UHFFFAOYSA-N -1 3 308.765 2.608 20 10 DFCDHM Cc1cnn(C)c1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000289185092 131364850 /nfs/dbraw/zinc/36/48/50/131364850.db2.gz TYIOMSHOSNMOHX-MRXNPFEDSA-N -1 3 315.417 2.615 20 10 DFCDHM CCNC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273437620 285576847 /nfs/dbraw/zinc/57/68/47/285576847.db2.gz XOGSHISVBKUUKB-SFYZADRCSA-N -1 3 305.205 2.874 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)CCc2ccccn2)c1[O-] ZINC000126771342 426036058 /nfs/dbraw/zinc/03/60/58/426036058.db2.gz VZHPKKCOYVTXCN-UHFFFAOYSA-N -1 3 302.349 2.803 20 10 DFCDHM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(OC)ccc1[O-] ZINC000078761916 426184631 /nfs/dbraw/zinc/18/46/31/426184631.db2.gz TYAUXVSCAUNSGC-INIZCTEOSA-N -1 3 318.417 2.944 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@]3(CCOC3)C2)c1[O-] ZINC000153977417 426416482 /nfs/dbraw/zinc/41/64/82/426416482.db2.gz NDNWFLPWMYLKNR-INIZCTEOSA-N -1 3 309.793 2.861 20 10 DFCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCCNC1=O ZINC000123916281 426461262 /nfs/dbraw/zinc/46/12/62/426461262.db2.gz AGCZWPFKLXJYEA-LBPRGKRZSA-N -1 3 317.216 2.800 20 10 DFCDHM Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1[O-] ZINC000280304307 426546022 /nfs/dbraw/zinc/54/60/22/426546022.db2.gz PBVJMKZYUQLSAO-MLGOLLRUSA-N -1 3 311.809 2.734 20 10 DFCDHM CCc1nnc([C@H]2CN(Cc3c([O-])cccc3Cl)CCO2)o1 ZINC000280429522 426573763 /nfs/dbraw/zinc/57/37/63/426573763.db2.gz JJFAYCMFSFIRMT-CYBMUJFWSA-N -1 3 323.780 2.565 20 10 DFCDHM CCCC[C@H](NCc1cc(Cl)cc(OC)c1[O-])C(=O)OC ZINC000187390065 426654630 /nfs/dbraw/zinc/65/46/30/426654630.db2.gz HQVGJJSALWELFC-LBPRGKRZSA-N -1 3 315.797 2.876 20 10 DFCDHM COCC1=CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000187618001 426678582 /nfs/dbraw/zinc/67/85/82/426678582.db2.gz BCGVHWHMXAIOKQ-UHFFFAOYSA-N -1 3 312.207 2.933 20 10 DFCDHM CC[C@@H](C)N(CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000281289891 426709139 /nfs/dbraw/zinc/70/91/39/426709139.db2.gz JEQWZGSBJNBALR-SNVBAGLBSA-N -1 3 311.353 2.507 20 10 DFCDHM CS(=O)(=O)[C@H]1CCCN(Cc2c([O-])ccc3ccccc32)C1 ZINC000273989198 426714790 /nfs/dbraw/zinc/71/47/90/426714790.db2.gz WHXKJMGQGIPSCY-AWEZNQCLSA-N -1 3 319.426 2.554 20 10 DFCDHM CCOC(=O)N[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179692104 426812000 /nfs/dbraw/zinc/81/20/00/426812000.db2.gz MYMJTXUQJHQIOE-GFCCVEGCSA-N -1 3 312.797 2.756 20 10 DFCDHM O=C1[C@H](NCc2cccc(F)c2[O-])CCCN1C1CCCCC1 ZINC000276711551 427117431 /nfs/dbraw/zinc/11/74/31/427117431.db2.gz GTWZDZPCXPTUSL-MRXNPFEDSA-N -1 3 320.408 2.945 20 10 DFCDHM C[C@@H](NCc1ccc(N(C)C)nc1)c1ccc(F)c(F)c1[O-] ZINC000276933611 427126534 /nfs/dbraw/zinc/12/65/34/427126534.db2.gz ONRFZJVGVMVZAJ-SNVBAGLBSA-N -1 3 307.344 2.982 20 10 DFCDHM O=C([O-])C[C@@H](NCc1ccc2c(c1)CCO2)c1ccsc1 ZINC000277024694 427133141 /nfs/dbraw/zinc/13/31/41/427133141.db2.gz OUEDFUCMFRUFPY-CQSZACIVSA-N -1 3 303.383 2.989 20 10 DFCDHM CCC[C@](C)(NCc1cc(Cl)cc(OC)c1[O-])C(=O)OC ZINC000184048137 427382225 /nfs/dbraw/zinc/38/22/25/427382225.db2.gz JWELBGYIGMIEDD-HNNXBMFYSA-N -1 3 315.797 2.876 20 10 DFCDHM COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000271083172 427398955 /nfs/dbraw/zinc/39/89/55/427398955.db2.gz JSYIRCXVPSRVJT-MRVPVSSYSA-N -1 3 304.173 2.694 20 10 DFCDHM CO[C@@H](C)c1noc(CN(C)Cc2c([O-])cccc2Cl)n1 ZINC000271189970 427439042 /nfs/dbraw/zinc/43/90/42/427439042.db2.gz FVBZHPFTTHKDGT-VIFPVBQESA-N -1 3 311.769 2.768 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000271861700 427591652 /nfs/dbraw/zinc/59/16/52/427591652.db2.gz YXRIJUNMWOVGAL-UHFFFAOYSA-N -1 3 310.825 2.654 20 10 DFCDHM Cc1c(NC(=O)c2cccc(O)c2[O-])cnn1C1CCCC1 ZINC000192987978 427647029 /nfs/dbraw/zinc/64/70/29/427647029.db2.gz YYIZOHDLLFACMA-UHFFFAOYSA-N -1 3 301.346 2.970 20 10 DFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])[C@H]1OCCc2sccc21 ZINC000294651710 427649666 /nfs/dbraw/zinc/64/96/66/427649666.db2.gz NAFJFADYPSUFQY-RFAUZJTJSA-N -1 3 319.382 2.592 20 10 DFCDHM Cc1nocc1CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000294804903 427660777 /nfs/dbraw/zinc/66/07/77/427660777.db2.gz DPFQTQWYWADIBK-MRXNPFEDSA-N -1 3 302.374 2.870 20 10 DFCDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000294858317 427661879 /nfs/dbraw/zinc/66/18/79/427661879.db2.gz SVHFIBGKLPHZDL-GFCCVEGCSA-N -1 3 312.797 2.708 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000295044777 427672464 /nfs/dbraw/zinc/67/24/64/427672464.db2.gz YQCSHXXSZUQUHO-LLVKDONJSA-N -1 3 324.787 2.688 20 10 DFCDHM C[C@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C(=O)N(C)C ZINC000193353447 427684864 /nfs/dbraw/zinc/68/48/64/427684864.db2.gz RRXRRBKZHMFRNA-YUMQZZPRSA-N -1 3 305.205 2.826 20 10 DFCDHM C[C@@H]1CN(CCN(C)Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000193397288 427688812 /nfs/dbraw/zinc/68/88/12/427688812.db2.gz WAIAZWOBTXXLCM-BETUJISGSA-N -1 3 312.841 2.587 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369675635 428033813 /nfs/dbraw/zinc/03/38/13/428033813.db2.gz HLOWQDDQLUNDDD-XHDPSFHLSA-N -1 3 309.793 2.859 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H](CO)C2)c1[O-] ZINC000370207855 428156883 /nfs/dbraw/zinc/15/68/83/428156883.db2.gz NGKCNOFHUUEGPG-LBPRGKRZSA-N -1 3 311.809 2.843 20 10 DFCDHM Cc1ccc(-c2cnc(CNC(=O)c3cccc(O)c3[O-])o2)cc1 ZINC000370506564 428227592 /nfs/dbraw/zinc/22/75/92/428227592.db2.gz FIVNSOIXFYPRFK-UHFFFAOYSA-N -1 3 324.336 2.991 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000371417536 428387952 /nfs/dbraw/zinc/38/79/52/428387952.db2.gz LBZCQLZZDISOMQ-HNNXBMFYSA-N -1 3 322.836 2.845 20 10 DFCDHM Cc1nc(C)n(C[C@@H]2CCCN2Cc2cccc(Cl)c2[O-])n1 ZINC000371423850 428389425 /nfs/dbraw/zinc/38/94/25/428389425.db2.gz DXMAAQNVKAHQFW-AWEZNQCLSA-N -1 3 320.824 2.919 20 10 DFCDHM Cc1nccn1-c1ccc(NC(=O)c2ccc(C)c(O)c2[O-])cn1 ZINC000373318989 428546564 /nfs/dbraw/zinc/54/65/64/428546564.db2.gz SGDGWEAWBIVHJZ-UHFFFAOYSA-N -1 3 324.340 2.548 20 10 DFCDHM Cc1nc2c(s1)[C@H](NC(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000364710703 429252821 /nfs/dbraw/zinc/25/28/21/429252821.db2.gz YCLMHTVVIOBBDU-GFCCVEGCSA-N -1 3 318.398 2.979 20 10 DFCDHM Cc1ccc(C2CCN(C(=O)c3cccc(O)c3[O-])CC2)cn1 ZINC000366150025 429425938 /nfs/dbraw/zinc/42/59/38/429425938.db2.gz AOHGVOHWGOJXEF-UHFFFAOYSA-N -1 3 312.369 2.821 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCOc3c(F)cccc32)c([O-])c1O ZINC000367905322 429740642 /nfs/dbraw/zinc/74/06/42/429740642.db2.gz YUZRIWSPNCONNE-CYBMUJFWSA-N -1 3 317.316 2.799 20 10 DFCDHM CCc1noc([C@H]2C[C@H](O)CN2[C@@H](CC)c2ccccc2[O-])n1 ZINC000368040702 429773386 /nfs/dbraw/zinc/77/33/86/429773386.db2.gz SMXAVGUJJPVHPZ-FPMFFAJLSA-N -1 3 317.389 2.597 20 10 DFCDHM Cc1nc([C@H]2CCCCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000369284326 429922253 /nfs/dbraw/zinc/92/22/53/429922253.db2.gz RBIMJSYROFMJMC-GFCCVEGCSA-N -1 3 317.345 2.547 20 10 DFCDHM CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(F)(F)F ZINC000273452899 288080558 /nfs/dbraw/zinc/08/05/58/288080558.db2.gz GNHLVISKZDPCOM-VHRDEZTHSA-N -1 3 322.283 2.653 20 10 DFCDHM Cc1ccc(C(=O)N2CCCCC[C@@H]2C[C@@H](C)O)c([O-])c1O ZINC000287266859 301498110 /nfs/dbraw/zinc/49/81/10/301498110.db2.gz KHDASPGPGYHMIC-CHWSQXEVSA-N -1 3 307.390 2.562 20 10 DFCDHM Cc1noc(C2(C)CCN(Cc3cccc(F)c3[O-])CC2)n1 ZINC000374730811 332268508 /nfs/dbraw/zinc/26/85/08/332268508.db2.gz JAJOMAFAWJVSST-UHFFFAOYSA-N -1 3 305.353 2.776 20 10 DFCDHM CCN(Cc1cc(Cl)c(F)cc1[O-])C[C@H](O)C(F)(F)F ZINC000294608223 335126531 /nfs/dbraw/zinc/12/65/31/335126531.db2.gz IHWAWZNPAQUPLP-NSHDSACASA-N -1 3 315.694 2.930 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@]12CCOC2 ZINC000311002953 333277115 /nfs/dbraw/zinc/27/71/15/333277115.db2.gz VOHYZQMLMBYTKW-AWEZNQCLSA-N -1 3 312.207 2.910 20 10 DFCDHM COC(=O)CN(Cc1conc1C)Cc1cc(Cl)ccc1[O-] ZINC000295429909 335134795 /nfs/dbraw/zinc/13/47/95/335134795.db2.gz SYAXQUMTICNNBN-UHFFFAOYSA-N -1 3 324.764 2.517 20 10 DFCDHM COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(O)c1[O-] ZINC000184773482 333367633 /nfs/dbraw/zinc/36/76/33/333367633.db2.gz OBIZLLXYQPPCJC-GFCCVEGCSA-N -1 3 315.369 2.810 20 10 DFCDHM CC(C)c1nc([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273466488 334047585 /nfs/dbraw/zinc/04/75/85/334047585.db2.gz IYVMKYMXEBBSTL-ZJUUUORDSA-N -1 3 319.365 2.954 20 10 DFCDHM Cc1ccnn1-c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000370032002 336876236 /nfs/dbraw/zinc/87/62/36/336876236.db2.gz RAYGYGPIWSQNHB-UHFFFAOYSA-N -1 3 309.325 2.844 20 10 DFCDHM O=S1(=O)C[C@H](NCc2cc(Cl)ccc2[O-])c2ccccc21 ZINC000370354577 336882958 /nfs/dbraw/zinc/88/29/58/336882958.db2.gz DZNGRPLKWCWCBF-ZDUSSCGKSA-N -1 3 323.801 2.664 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(c2nnc[nH]2)CC1 ZINC000375451752 337011339 /nfs/dbraw/zinc/01/13/39/337011339.db2.gz ZECGWBGHARKKRN-UHFFFAOYSA-N -1 3 310.760 2.682 20 10 DFCDHM Cc1ccc([C@H]2CSCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000375669280 337016158 /nfs/dbraw/zinc/01/61/58/337016158.db2.gz PWEVIHYXDXJZSQ-GFCCVEGCSA-N -1 3 319.382 2.930 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)CC[C@@H]2C)c1[O-] ZINC000376660628 337039250 /nfs/dbraw/zinc/03/92/50/337039250.db2.gz ZEDAQQFPUPJHAK-JEOXALJRSA-N -1 3 301.839 2.697 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2C[C@H](CO)c3ccccc32)c1 ZINC000376956566 337044086 /nfs/dbraw/zinc/04/40/86/337044086.db2.gz GYJJCKYEHBWSCW-MLGOLLRUSA-N -1 3 314.341 2.611 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC=C(c2ccc(O)cc2)CC1 ZINC000187247236 337264449 /nfs/dbraw/zinc/26/44/49/337264449.db2.gz ZJRONVHPLNRHMW-UHFFFAOYSA-N -1 3 311.337 2.733 20 10 DFCDHM CC(C)O[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000528271854 337799344 /nfs/dbraw/zinc/79/93/44/337799344.db2.gz KDMXHGDDURQJHM-HIFRSBDPSA-N -1 3 312.797 2.801 20 10 DFCDHM CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180256000 521646567 /nfs/dbraw/zinc/64/65/67/521646567.db2.gz VUAOQWLJEITRDJ-LLVKDONJSA-N -1 3 319.854 2.609 20 10 DFCDHM CCn1cc(CNCc2cc(Br)ccc2[O-])cn1 ZINC000265592543 523385352 /nfs/dbraw/zinc/38/53/52/523385352.db2.gz ZVROVVXETOLZDX-UHFFFAOYSA-N -1 3 310.195 2.661 20 10 DFCDHM COc1ccc(CN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1C ZINC000182350175 523999693 /nfs/dbraw/zinc/99/96/93/523999693.db2.gz JNQJYFABUPLRKF-UHFFFAOYSA-N -1 3 315.369 2.995 20 10 DFCDHM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158032095 525478107 /nfs/dbraw/zinc/47/81/07/525478107.db2.gz UJHBZAZGKATLBW-KCPJHIHWSA-N -1 3 322.836 2.782 20 10 DFCDHM C[C@@]1(O)CCCN(Cc2cc(Br)ccc2[O-])C1 ZINC000129397480 525881640 /nfs/dbraw/zinc/88/16/40/525881640.db2.gz ZEJMZTXZZMZRPK-CYBMUJFWSA-N -1 3 300.196 2.502 20 10 DFCDHM C[C@H](c1cccnc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180155992 526133997 /nfs/dbraw/zinc/13/39/97/526133997.db2.gz OIIOWLKSYHNFHM-CQSZACIVSA-N -1 3 315.392 2.805 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](n2cc3ccccc3n2)C1 ZINC000365100988 526771297 /nfs/dbraw/zinc/77/12/97/526771297.db2.gz RQAKLELPDAWPDO-ZDUSSCGKSA-N -1 3 323.352 2.535 20 10 DFCDHM O=C(Nc1ccc(-c2ccccn2)cn1)c1cccc(O)c1[O-] ZINC000369128784 527137897 /nfs/dbraw/zinc/13/78/97/527137897.db2.gz YEHJCICDIKRKNA-UHFFFAOYSA-N -1 3 307.309 2.807 20 10 DFCDHM O=C([O-])CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000181537329 527581285 /nfs/dbraw/zinc/58/12/85/527581285.db2.gz AMEAWAQEOWEBPJ-HNNXBMFYSA-N -1 3 307.390 2.628 20 10 DFCDHM O=C([O-])CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000181537329 527581293 /nfs/dbraw/zinc/58/12/93/527581293.db2.gz AMEAWAQEOWEBPJ-HNNXBMFYSA-N -1 3 307.390 2.628 20 10 DFCDHM O=C([O-])NC[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740643244 601915971 /nfs/dbraw/zinc/91/59/71/601915971.db2.gz ODRGYTYQQPUSEG-GFCCVEGCSA-N -1 3 300.358 2.635 20 10 DFCDHM O=C([O-])NC[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740643244 601915974 /nfs/dbraw/zinc/91/59/74/601915974.db2.gz ODRGYTYQQPUSEG-GFCCVEGCSA-N -1 3 300.358 2.635 20 10 DFCDHM C[C@H](Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1)C(=O)[O-] ZINC000833537298 604580990 /nfs/dbraw/zinc/58/09/90/604580990.db2.gz HWRXSYYDWOVGAB-ZDUSSCGKSA-N -1 3 315.369 2.876 20 10 DFCDHM C[C@H](Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1)C(=O)[O-] ZINC000833537298 604580994 /nfs/dbraw/zinc/58/09/94/604580994.db2.gz HWRXSYYDWOVGAB-ZDUSSCGKSA-N -1 3 315.369 2.876 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000834110082 605562480 /nfs/dbraw/zinc/56/24/80/605562480.db2.gz VUEDTHHLOPYHAA-OAHLLOKOSA-N -1 3 304.390 2.747 20 10 DFCDHM C[C@@H](NC(=O)[O-])[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000833811444 605595634 /nfs/dbraw/zinc/59/56/34/605595634.db2.gz CNYBBFDURGUTBR-TZMCWYRMSA-N -1 3 323.412 2.760 20 10 DFCDHM Cc1cc(C)c(O)c(CN(C)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826263499 607846456 /nfs/dbraw/zinc/84/64/56/607846456.db2.gz DXZFQHUOQTWQIK-UHFFFAOYSA-N -1 3 309.373 2.826 20 10 DFCDHM CCN(CC)c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000825416509 608773990 /nfs/dbraw/zinc/77/39/90/608773990.db2.gz JRBLABJVRXGLDC-UHFFFAOYSA-N -1 3 323.404 2.720 20 10 DFCDHM CCN(CC)c1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000825416509 608773991 /nfs/dbraw/zinc/77/39/91/608773991.db2.gz JRBLABJVRXGLDC-UHFFFAOYSA-N -1 3 323.404 2.720 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCCN(c2ncccn2)CC1 ZINC000093056518 398617473 /nfs/dbraw/zinc/61/74/73/398617473.db2.gz XBTFSQHSOALNHF-UHFFFAOYSA-N -1 3 318.808 2.548 20 10 DFCDHM C[C@H](N[C@@H](CO)c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273542885 299349717 /nfs/dbraw/zinc/34/97/17/299349717.db2.gz YQEGVRFCYZQLCV-BONVTDFDSA-N -1 3 320.320 2.824 20 10 DFCDHM CC[C@@H](O)[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079434324 399043957 /nfs/dbraw/zinc/04/39/57/399043957.db2.gz YUTLSLNBRFLLGA-HZPDHXFCSA-N -1 3 309.381 2.859 20 10 DFCDHM COc1cc(N(C)Cc2nc(C)ccc2[O-])cc(OC)c1OC ZINC000272541986 130039149 /nfs/dbraw/zinc/03/91/49/130039149.db2.gz PGHFDZGAMXTZSB-UHFFFAOYSA-N -1 3 318.373 2.758 20 10 DFCDHM Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1[O-] ZINC000272663739 130051808 /nfs/dbraw/zinc/05/18/08/130051808.db2.gz PDBGVAHQMPWQMZ-UHFFFAOYSA-N -1 3 312.369 2.806 20 10 DFCDHM Cc1ccc(C(=O)Nc2ncn(C3CCCCC3)n2)c([O-])c1O ZINC000273115413 130090371 /nfs/dbraw/zinc/09/03/71/130090371.db2.gz CYOSQHDQKJKWIY-UHFFFAOYSA-N -1 3 316.361 2.755 20 10 DFCDHM C[C@H](NCc1ccc(N(C)C)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388055 130116178 /nfs/dbraw/zinc/11/61/78/130116178.db2.gz KBYWLHRQCJVRFX-NSHDSACASA-N -1 3 316.361 2.612 20 10 DFCDHM C[C@@H](N[C@@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273406705 130116992 /nfs/dbraw/zinc/11/69/92/130116992.db2.gz ONOZPHIPYMEICZ-QMTHXVAHSA-N -1 3 316.361 2.762 20 10 DFCDHM C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502155 130129567 /nfs/dbraw/zinc/12/95/67/130129567.db2.gz QKHXAEQKFJGGLC-PXAZEXFGSA-N -1 3 311.385 2.663 20 10 DFCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2nnc(C)s2)c1[O-] ZINC000273594949 130141779 /nfs/dbraw/zinc/14/17/79/130141779.db2.gz KAFBEBGSUKTZPV-ZETCQYMHSA-N -1 3 309.366 2.745 20 10 DFCDHM C[C@@H](N[C@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273617377 130145806 /nfs/dbraw/zinc/14/58/06/130145806.db2.gz XUGMKHTYPPYTID-IAQYHMDHSA-N -1 3 302.330 2.685 20 10 DFCDHM COc1ccc([C@@H](CN(C)C)NCc2cccc(F)c2[O-])cc1 ZINC000284964442 131126432 /nfs/dbraw/zinc/12/64/32/131126432.db2.gz IBPHIKFONMHLOI-QGZVFWFLSA-N -1 3 318.392 2.932 20 10 DFCDHM CN(Cc1ccccc1[O-])[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000109771581 426032899 /nfs/dbraw/zinc/03/28/99/426032899.db2.gz LPIDQFKBHJOSIG-GOSISDBHSA-N -1 3 310.397 2.844 20 10 DFCDHM C[C@@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000109773354 426033421 /nfs/dbraw/zinc/03/34/21/426033421.db2.gz AOCZMXUAHZJHFR-AWEZNQCLSA-N -1 3 310.397 2.802 20 10 DFCDHM CCCN(CC(=O)NC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133286769 426172807 /nfs/dbraw/zinc/17/28/07/426172807.db2.gz ZBODWOJXBZIJQZ-UHFFFAOYSA-N -1 3 305.205 2.657 20 10 DFCDHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])CCCO1 ZINC000134154925 426185945 /nfs/dbraw/zinc/18/59/45/426185945.db2.gz CATJUTVFEDGDBL-JTQLQIEISA-N -1 3 300.196 2.766 20 10 DFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000092096108 426347215 /nfs/dbraw/zinc/34/72/15/426347215.db2.gz QXLRPNOHIBYVCX-IIAWOOMASA-N -1 3 311.809 2.814 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2ccccn2)CC1 ZINC000121958332 426356305 /nfs/dbraw/zinc/35/63/05/426356305.db2.gz DSRVVLYOPHMCIA-UHFFFAOYSA-N -1 3 317.820 2.758 20 10 DFCDHM CCCOc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c([O-])c1 ZINC000093612057 426358622 /nfs/dbraw/zinc/35/86/22/426358622.db2.gz DVXVWWRBELJHMY-AWEZNQCLSA-N -1 3 319.323 2.680 20 10 DFCDHM COCCN(Cc1ccco1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000177251963 426460869 /nfs/dbraw/zinc/46/08/69/426460869.db2.gz SQEGGTRONGSAKD-UHFFFAOYSA-N -1 3 321.348 2.976 20 10 DFCDHM Cc1cnc([C@H](C)CNC(=O)c2ccc(C)c(O)c2[O-])s1 ZINC000186395009 426519532 /nfs/dbraw/zinc/51/95/32/426519532.db2.gz DUHDJVPJCVYYPY-SECBINFHSA-N -1 3 306.387 2.705 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H](Nc2ccccc2)C1 ZINC000187192384 426637078 /nfs/dbraw/zinc/63/70/78/426637078.db2.gz JQKFDGKCMAUGMK-AWEZNQCLSA-N -1 3 312.369 2.815 20 10 DFCDHM COc1cc(Cl)cc(CN[C@@H](CCO)c2ccco2)c1[O-] ZINC000187528311 426670300 /nfs/dbraw/zinc/67/03/00/426670300.db2.gz RVZBAEXZGQMKBK-LBPRGKRZSA-N -1 3 311.765 2.861 20 10 DFCDHM [O-]c1c(Cl)cc(Cl)cc1CNC[C@H](O)C(F)(F)F ZINC000227439345 426626554 /nfs/dbraw/zinc/62/65/54/426626554.db2.gz OFDSPCWDAMVOJV-QMMMGPOBSA-N -1 3 304.095 2.712 20 10 DFCDHM COc1ccc(CN[C@@H](C)c2ccc(F)cc2[O-])c(OC)n1 ZINC000290172588 426708066 /nfs/dbraw/zinc/70/80/66/426708066.db2.gz MWDKXGVAAUZEJX-JTQLQIEISA-N -1 3 306.337 2.794 20 10 DFCDHM O=C(NC1CCCCC1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179558727 426801804 /nfs/dbraw/zinc/80/18/04/426801804.db2.gz VFTOCDJVLXKHJR-UHFFFAOYSA-N -1 3 317.433 2.552 20 10 DFCDHM CCOC(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179692118 426811790 /nfs/dbraw/zinc/81/17/90/426811790.db2.gz MYMJTXUQJHQIOE-LBPRGKRZSA-N -1 3 312.797 2.756 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@@H](OC(=O)N(C)C)C2)c1[O-] ZINC000295209239 426863397 /nfs/dbraw/zinc/86/33/97/426863397.db2.gz ZVJCGDFWMRUNPU-CYBMUJFWSA-N -1 3 312.797 2.627 20 10 DFCDHM [O-]c1c(Cl)cccc1CN[C@]1(CO)CCOc2ccccc21 ZINC000282277105 426869615 /nfs/dbraw/zinc/86/96/15/426869615.db2.gz KUXZTVSXYPMCQW-KRWDZBQOSA-N -1 3 319.788 2.806 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000247018083 426892070 /nfs/dbraw/zinc/89/20/70/426892070.db2.gz ZIUBTEKAPQXKBD-LRDDRELGSA-N -1 3 307.365 2.735 20 10 DFCDHM CC(=O)NCCN(Cc1ccsc1)Cc1cc(F)ccc1[O-] ZINC000283001271 426937702 /nfs/dbraw/zinc/93/77/02/426937702.db2.gz KRLAWSDYRAENNS-UHFFFAOYSA-N -1 3 322.405 2.731 20 10 DFCDHM CO[C@@H]1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1(C)C ZINC000296027273 427048767 /nfs/dbraw/zinc/04/87/67/427048767.db2.gz NJKYZGFKNJQIIH-OAHLLOKOSA-N -1 3 309.381 2.981 20 10 DFCDHM [O-]c1ccccc1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000277568988 427247252 /nfs/dbraw/zinc/24/72/52/427247252.db2.gz SKCFFKWSWJHQPD-UHFFFAOYSA-N -1 3 323.318 2.527 20 10 DFCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2cnn(C)c2C)c1[O-] ZINC000183385319 427259298 /nfs/dbraw/zinc/25/92/98/427259298.db2.gz HOIGXKVLZCBYHC-SECBINFHSA-N -1 3 305.353 2.627 20 10 DFCDHM CCC[C@@H]1C[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277678175 427282610 /nfs/dbraw/zinc/28/26/10/427282610.db2.gz OLHSBPIBBPIXKB-ZWNOBZJWSA-N -1 3 322.792 2.998 20 10 DFCDHM COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])c(C)n1 ZINC000278467068 427439514 /nfs/dbraw/zinc/43/95/14/427439514.db2.gz GKJULWMHEVKWSX-UHFFFAOYSA-N -1 3 319.317 2.633 20 10 DFCDHM COc1c([O-])c(CNc2cc(C)cc(C)n2)ccc1[N+](=O)[O-] ZINC000278525624 427441873 /nfs/dbraw/zinc/44/18/73/427441873.db2.gz TUPGVKAOUMXDPE-UHFFFAOYSA-N -1 3 303.318 2.933 20 10 DFCDHM Cc1c(-c2cc(CN(C)Cc3ccccc3[O-])on2)cnn1C ZINC000184654724 427510524 /nfs/dbraw/zinc/51/05/24/427510524.db2.gz IVSPXPDDPIWHAM-UHFFFAOYSA-N -1 3 312.373 2.721 20 10 DFCDHM CN(Cc1ncnn1CC(F)F)Cc1c([O-])cccc1Cl ZINC000279135378 427571229 /nfs/dbraw/zinc/57/12/29/427571229.db2.gz YPVVTDLRGYLQEI-UHFFFAOYSA-N -1 3 316.739 2.534 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCS[C@H]2COCC[C@H]21 ZINC000294459535 427642326 /nfs/dbraw/zinc/64/23/26/427642326.db2.gz YUCVKHSYVHPSJF-OCCSQVGLSA-N -1 3 317.813 2.891 20 10 DFCDHM CN(C)C(=O)O[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000294792276 427659691 /nfs/dbraw/zinc/65/96/91/427659691.db2.gz MAVJOWKAWGLGIA-LLVKDONJSA-N -1 3 312.797 2.708 20 10 DFCDHM O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000193164636 427673765 /nfs/dbraw/zinc/67/37/65/427673765.db2.gz RHSJFYSQFPTWGS-XJKSGUPXSA-N -1 3 313.353 2.748 20 10 DFCDHM Cc1cccnc1[C@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000185663466 427687756 /nfs/dbraw/zinc/68/77/56/427687756.db2.gz FDTUIACGHSGTMT-CQSZACIVSA-N -1 3 300.358 2.928 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000279831183 427719770 /nfs/dbraw/zinc/71/97/70/427719770.db2.gz QZSOFEMPXKRLJX-NHYWBVRUSA-N -1 3 309.381 2.859 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC(Oc2cnccn2)CC1 ZINC000369672125 428030655 /nfs/dbraw/zinc/03/06/55/428030655.db2.gz XWPSSCBCOCETMP-UHFFFAOYSA-N -1 3 319.792 2.879 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCOC2(CCOCC2)CC1 ZINC000372128995 428416880 /nfs/dbraw/zinc/41/68/80/428416880.db2.gz RSQAIQBSFDASRP-UHFFFAOYSA-N -1 3 311.809 2.817 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000374435590 428679422 /nfs/dbraw/zinc/67/94/22/428679422.db2.gz QRMRJPLIWRFDTE-QGZVFWFLSA-N -1 3 319.307 2.948 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374412916 428679481 /nfs/dbraw/zinc/67/94/81/428679481.db2.gz WGUKKCVFKJHYEM-CHWSQXEVSA-N -1 3 307.365 2.592 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000367359679 429629782 /nfs/dbraw/zinc/62/97/82/429629782.db2.gz AOBHJNLDQDTSJN-CFVMTHIKSA-N -1 3 317.389 2.997 20 10 DFCDHM Cc1c(/C=C\C(=O)N2CC[C@H](C)c3cccc([O-])c32)cnn1C ZINC000493359908 429745081 /nfs/dbraw/zinc/74/50/81/429745081.db2.gz VVEIJQAVLOUEAO-KRZKBDHCSA-N -1 3 311.385 2.988 20 10 DFCDHM CCc1nnc([C@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)o1 ZINC000369291242 429922701 /nfs/dbraw/zinc/92/27/01/429922701.db2.gz XHMVFDHSSFECGI-CYBMUJFWSA-N -1 3 323.780 2.565 20 10 DFCDHM CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1[O-] ZINC000185682519 288635316 /nfs/dbraw/zinc/63/53/16/288635316.db2.gz BXCVKEKLSQETQK-ZWNOBZJWSA-N -1 3 304.369 2.871 20 10 DFCDHM Cc1c([C@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000273391246 301004624 /nfs/dbraw/zinc/00/46/24/301004624.db2.gz KVEITPDCZLYSMB-ZJUUUORDSA-N -1 3 304.350 2.754 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](OCC(C)C)C2)c1[O-] ZINC000120135566 332383433 /nfs/dbraw/zinc/38/34/33/332383433.db2.gz FTJFHWCTSUUMMB-OAHLLOKOSA-N -1 3 309.381 2.981 20 10 DFCDHM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C)c(O)c2[O-])o1 ZINC000179505575 333151568 /nfs/dbraw/zinc/15/15/68/333151568.db2.gz TVLMZNDFTGPGIA-ZDUSSCGKSA-N -1 3 317.341 2.521 20 10 DFCDHM COc1cc(Cl)cc(CN2CCC[C@H]2c2nncn2C)c1[O-] ZINC000184700626 333200862 /nfs/dbraw/zinc/20/08/62/333200862.db2.gz GTRJADPPJLEDRH-LBPRGKRZSA-N -1 3 322.796 2.520 20 10 DFCDHM CCN(C)C(=O)[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000296345126 334232523 /nfs/dbraw/zinc/23/25/23/334232523.db2.gz HZYJSRGOJMXYTI-HZMBPMFUSA-N -1 3 314.376 2.824 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@](F)(c2ccccc2)C1 ZINC000374793128 336997236 /nfs/dbraw/zinc/99/72/36/336997236.db2.gz KDYUDAHPTBZLOK-QGZVFWFLSA-N -1 3 301.317 2.809 20 10 DFCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])C[C@@]2(CCOC2)O1 ZINC000376022069 337025493 /nfs/dbraw/zinc/02/54/93/337025493.db2.gz RDEWJIUZGGTFCF-MRXNPFEDSA-N -1 3 311.809 2.816 20 10 DFCDHM COCCn1cc2c(n1)[C@@H](NCc1cccc(F)c1[O-])CCC2 ZINC000376613999 337038097 /nfs/dbraw/zinc/03/80/97/337038097.db2.gz CJKPANCOERGBPZ-HNNXBMFYSA-N -1 3 319.380 2.541 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000377681976 337058252 /nfs/dbraw/zinc/05/82/52/337058252.db2.gz RSHHTFCEOIQUJW-KRWDZBQOSA-N -1 3 309.381 2.574 20 10 DFCDHM Cc1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c([O-])c1O ZINC000182903222 337190611 /nfs/dbraw/zinc/19/06/11/337190611.db2.gz BSNCDDDHXCJARZ-RISCZKNCSA-N -1 3 313.353 2.701 20 10 DFCDHM C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1[O-] ZINC000185586414 337249286 /nfs/dbraw/zinc/24/92/86/337249286.db2.gz FDLIGPSMTVMHRK-MNOVXSKESA-N -1 3 304.369 2.871 20 10 DFCDHM COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(C)cc1[O-] ZINC000185775688 337251254 /nfs/dbraw/zinc/25/12/54/337251254.db2.gz BOCNWAHSKZLNBY-OCCSQVGLSA-N -1 3 316.405 2.624 20 10 DFCDHM Cc1csc([C@@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)n1 ZINC000187144555 337262875 /nfs/dbraw/zinc/26/28/75/337262875.db2.gz ZQYGFOPAHXRPIM-LLVKDONJSA-N -1 3 318.398 2.883 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](c2nccs2)C1 ZINC000187095765 337263255 /nfs/dbraw/zinc/26/32/55/337263255.db2.gz FELPVQATYSKXJD-SNVBAGLBSA-N -1 3 304.371 2.574 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000190858855 337290278 /nfs/dbraw/zinc/29/02/78/337290278.db2.gz CCHQTSGNHSHLTB-GOEBONIOSA-N -1 3 307.752 2.933 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](Cn2cncn2)C1 ZINC000191154679 337292625 /nfs/dbraw/zinc/29/26/25/337292625.db2.gz BPEGEUVOBFEROU-NSHDSACASA-N -1 3 324.787 2.688 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H](N(C)C)C2)c1[O-] ZINC000124588088 518278547 /nfs/dbraw/zinc/27/85/47/518278547.db2.gz JJZVPZZNOIMQNH-BMIGLBTASA-N -1 3 310.825 2.630 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](C)C(=O)OC(C)C)c1[O-] ZINC000129568446 518284496 /nfs/dbraw/zinc/28/44/96/518284496.db2.gz RLXUDSFNASFPLM-JTQLQIEISA-N -1 3 311.353 2.506 20 10 DFCDHM CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(F)ccc1[O-] ZINC000180212399 523275538 /nfs/dbraw/zinc/27/55/38/523275538.db2.gz MTHZNLWRAVQFRO-NRFANRHFSA-N -1 3 307.390 2.901 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCC[C@@H]2c2nncn2C)c1[O-] ZINC000180562784 524864640 /nfs/dbraw/zinc/86/46/40/524864640.db2.gz DTXRWUBPVFHVPQ-CYBMUJFWSA-N -1 3 306.797 2.820 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2c2cccn2C)c([O-])c1O ZINC000181821922 526099883 /nfs/dbraw/zinc/09/98/83/526099883.db2.gz FVKVHKUVXAYMPW-CQSZACIVSA-N -1 3 300.358 2.722 20 10 DFCDHM O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000158111094 527025374 /nfs/dbraw/zinc/02/53/74/527025374.db2.gz UXIYZPIZDBYOBR-HNNXBMFYSA-N -1 3 322.836 2.926 20 10 DFCDHM Cn1cc([C@H]2CSCCN2Cc2cc(F)ccc2[O-])cn1 ZINC000191735108 527321765 /nfs/dbraw/zinc/32/17/65/527321765.db2.gz RDROGRVOQCNXFW-CQSZACIVSA-N -1 3 307.394 2.555 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CCO)c2ccccc2)c1 ZINC000124445390 527368792 /nfs/dbraw/zinc/36/87/92/527368792.db2.gz YFLNRBYIJWNPTG-OAHLLOKOSA-N -1 3 302.330 2.514 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000834106339 605562677 /nfs/dbraw/zinc/56/26/77/605562677.db2.gz JCQATXLTXJUFDK-ZFWWWQNUSA-N -1 3 304.390 2.747 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000834106339 605562679 /nfs/dbraw/zinc/56/26/79/605562679.db2.gz JCQATXLTXJUFDK-ZFWWWQNUSA-N -1 3 304.390 2.747 20 10 DFCDHM Oc1ccccc1CNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826511603 608376678 /nfs/dbraw/zinc/37/66/78/608376678.db2.gz XDJPAEPRWZHRFR-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM Oc1ccccc1CNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826511603 608376680 /nfs/dbraw/zinc/37/66/80/608376680.db2.gz XDJPAEPRWZHRFR-UHFFFAOYSA-N -1 3 301.737 2.838 20 10 DFCDHM C[C@@H](O)C[C@@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093482456 398639151 /nfs/dbraw/zinc/63/91/51/398639151.db2.gz PISQMPDBDQCNDO-SKDRFNHKSA-N -1 3 314.769 2.689 20 10 DFCDHM CCCN(CC(=O)N(C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133656848 283085753 /nfs/dbraw/zinc/08/57/53/283085753.db2.gz BRIVCRDCJNKGFL-UHFFFAOYSA-N -1 3 319.232 2.999 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCN(c2ccc(Cl)cn2)CC1 ZINC000272324553 130020137 /nfs/dbraw/zinc/02/01/37/130020137.db2.gz VAMDDUMMMKQSIM-UHFFFAOYSA-N -1 3 321.783 2.902 20 10 DFCDHM Cc1ccc(C(=O)N(C)[C@@H](CCO)c2ccccc2)c([O-])c1O ZINC000272546658 130040346 /nfs/dbraw/zinc/04/03/46/130040346.db2.gz ACIGTECKQNBVMJ-HNNXBMFYSA-N -1 3 315.369 2.602 20 10 DFCDHM Cc1csc(C2(NC(=O)c3ccc(C)c(O)c3[O-])CCC2)n1 ZINC000272737948 130058465 /nfs/dbraw/zinc/05/84/65/130058465.db2.gz LKGJGIMQYYSTSM-UHFFFAOYSA-N -1 3 318.398 2.980 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000273421183 130119310 /nfs/dbraw/zinc/11/93/10/130119310.db2.gz SEFJERJEJBDOSX-RYUDHWBXSA-N -1 3 300.358 2.986 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2cccnc2)c1 ZINC000273421188 130119568 /nfs/dbraw/zinc/11/95/68/130119568.db2.gz SEFJERJEJBDOSX-VXGBXAGGSA-N -1 3 300.358 2.986 20 10 DFCDHM Cc1nn(C)c(C)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273562201 130136510 /nfs/dbraw/zinc/13/65/10/130136510.db2.gz IIFRTAGTGBPALH-VIFPVBQESA-N -1 3 304.350 2.502 20 10 DFCDHM Cc1nn(C)cc1[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615822 130145126 /nfs/dbraw/zinc/14/51/26/130145126.db2.gz XJDYUUILLKJOBV-NXEZZACHSA-N -1 3 304.350 2.754 20 10 DFCDHM CCCCN(Cc1ncnn1CCF)Cc1ccccc1[O-] ZINC000282483204 130924896 /nfs/dbraw/zinc/92/48/96/130924896.db2.gz PBIDPPZVQVAAPC-UHFFFAOYSA-N -1 3 306.385 2.756 20 10 DFCDHM Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)O3)c1[O-] ZINC000124605090 425929114 /nfs/dbraw/zinc/92/91/14/425929114.db2.gz YCTQACVDIFBCNV-BETUJISGSA-N -1 3 312.207 2.826 20 10 DFCDHM Cc1ccccc1CN(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000111235134 426038916 /nfs/dbraw/zinc/03/89/16/426038916.db2.gz WVXSOEBNOAQUMK-UHFFFAOYSA-N -1 3 312.413 2.791 20 10 DFCDHM C[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000111235795 426039974 /nfs/dbraw/zinc/03/99/74/426039974.db2.gz KWUCXQXLISVCIH-HOCLYGCPSA-N -1 3 304.434 2.861 20 10 DFCDHM CN(Cc1nccn1C)Cc1cc(Br)ccc1[O-] ZINC000134109126 426184961 /nfs/dbraw/zinc/18/49/61/426184961.db2.gz KGIPHANIIHETHK-UHFFFAOYSA-N -1 3 310.195 2.520 20 10 DFCDHM CCCOC(=O)[C@@H](C)N(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000119489284 426292536 /nfs/dbraw/zinc/29/25/36/426292536.db2.gz GWMVNUSOJIADJO-ZBFHGGJFSA-N -1 3 321.417 2.715 20 10 DFCDHM CCCOc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c([O-])c1 ZINC000093612056 426358722 /nfs/dbraw/zinc/35/87/22/426358722.db2.gz DVXVWWRBELJHMY-CQSZACIVSA-N -1 3 319.323 2.680 20 10 DFCDHM COc1cc(Cl)cc(CN[C@@H](C)C(=O)OC(C)(C)C)c1[O-] ZINC000186292203 426501385 /nfs/dbraw/zinc/50/13/85/426501385.db2.gz HFYDYFCSWBRDDP-VIFPVBQESA-N -1 3 315.797 2.874 20 10 DFCDHM CCC[C@@H](NC(=O)c1cccc(O)c1[O-])[C@@H](O)c1ccccc1 ZINC000280544370 426596155 /nfs/dbraw/zinc/59/61/55/426596155.db2.gz KNPSCRQAOQLUGV-ZBFHGGJFSA-N -1 3 315.369 2.730 20 10 DFCDHM COCCN(CCN(C)C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000289484109 426666957 /nfs/dbraw/zinc/66/69/57/426666957.db2.gz QVLWTSNHBAUNHV-UHFFFAOYSA-N -1 3 321.248 2.709 20 10 DFCDHM CCNC(=O)OC[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000289674792 426671614 /nfs/dbraw/zinc/67/16/14/426671614.db2.gz ZHHBPYGBJYLXDP-CYBMUJFWSA-N -1 3 310.369 2.632 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000289754125 426672083 /nfs/dbraw/zinc/67/20/83/426672083.db2.gz FNOFXKRUUFKPKB-HNNXBMFYSA-N -1 3 317.364 2.686 20 10 DFCDHM CCN(CC)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1ccco1 ZINC000187033869 426622602 /nfs/dbraw/zinc/62/26/02/426622602.db2.gz LUBHPYUJAHLSCM-ZDUSSCGKSA-N -1 3 318.373 2.504 20 10 DFCDHM COc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1O ZINC000280668722 426630597 /nfs/dbraw/zinc/63/05/97/426630597.db2.gz YFTQYLMJCFKGER-UHFFFAOYSA-N -1 3 319.382 2.690 20 10 DFCDHM COc1cc(Cl)cc(CN2CCOCC(F)(F)C2)c1[O-] ZINC000290212436 426717811 /nfs/dbraw/zinc/71/78/11/426717811.db2.gz QSUUTXGIVNBVPY-UHFFFAOYSA-N -1 3 307.724 2.522 20 10 DFCDHM CCOCc1nc([C@H](C)N[C@H](C)c2cc(F)ccc2[O-])no1 ZINC000290280671 426731582 /nfs/dbraw/zinc/73/15/82/426731582.db2.gz XDEHCMPCZPOACT-ZJUUUORDSA-N -1 3 309.341 2.863 20 10 DFCDHM CCOCc1nc([C@@H](C)N[C@@H](C)c2cc(F)ccc2[O-])no1 ZINC000290280670 426731652 /nfs/dbraw/zinc/73/16/52/426731652.db2.gz XDEHCMPCZPOACT-VHSXEESVSA-N -1 3 309.341 2.863 20 10 DFCDHM [O-]c1ccc(F)cc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281764725 426760784 /nfs/dbraw/zinc/76/07/84/426760784.db2.gz LSWZSKQTDORETA-HOTGVXAUSA-N -1 3 305.324 2.978 20 10 DFCDHM CC[C@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1nccs1 ZINC000179511814 426797714 /nfs/dbraw/zinc/79/77/14/426797714.db2.gz IFOADCCXOQLESA-HNNXBMFYSA-N -1 3 306.387 2.918 20 10 DFCDHM CCCNC(=O)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179662778 426809380 /nfs/dbraw/zinc/80/93/80/426809380.db2.gz KYIVWKVPZLRESR-UHFFFAOYSA-N -1 3 310.825 2.784 20 10 DFCDHM Cn1cnnc1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179753566 426816956 /nfs/dbraw/zinc/81/69/56/426816956.db2.gz CCGFJKJBDUIHQI-UHFFFAOYSA-N -1 3 306.797 2.554 20 10 DFCDHM COc1cc(Cl)cc(CNCc2ncnn2C(C)(C)C)c1[O-] ZINC000282745050 426926531 /nfs/dbraw/zinc/92/65/31/426926531.db2.gz NOJPABUAVFEVRO-UHFFFAOYSA-N -1 3 324.812 2.691 20 10 DFCDHM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@H]2C1 ZINC000246807107 426866569 /nfs/dbraw/zinc/86/65/69/426866569.db2.gz QXLRPNOHIBYVCX-IJEWVQPXSA-N -1 3 311.809 2.814 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c([O-])c1 ZINC000247287881 426924936 /nfs/dbraw/zinc/92/49/36/426924936.db2.gz YYUTVSIOUWCEPO-QZTJIDSGSA-N -1 3 321.417 2.561 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CC[C@H](n2cccn2)C1 ZINC000291189844 426881007 /nfs/dbraw/zinc/88/10/07/426881007.db2.gz GMEDHWKJRGRYBK-ZDUSSCGKSA-N -1 3 322.206 2.798 20 10 DFCDHM Cc1ccc(C(=O)N2CCS[C@@H]3CCCC[C@@H]32)c([O-])c1O ZINC000182579613 427103377 /nfs/dbraw/zinc/10/33/77/427103377.db2.gz OOTGYJPTYYQNJI-QWHCGFSZSA-N -1 3 307.415 2.906 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H](C3CCC3)C2)c1[O-] ZINC000292177447 427122112 /nfs/dbraw/zinc/12/21/12/427122112.db2.gz QCODZWBBMKEZRF-OAHLLOKOSA-N -1 3 321.392 2.982 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@H](CO)c3ccccc32)c1[O-] ZINC000292708829 427196703 /nfs/dbraw/zinc/19/67/03/427196703.db2.gz OEQNAZYRHAQUKH-CYBMUJFWSA-N -1 3 315.344 2.830 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCN(C3CC3)C[C@H](C)C2)c1[O-] ZINC000296789873 427236309 /nfs/dbraw/zinc/23/63/09/427236309.db2.gz SRJFBDKLVIOJNC-GFCCVEGCSA-N -1 3 320.408 2.650 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000278133647 427415495 /nfs/dbraw/zinc/41/54/95/427415495.db2.gz CMJIMQZBUISDBS-GWCFXTLKSA-N -1 3 307.287 2.667 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](O)Cc3ccccc32)c1[O-] ZINC000278828271 427466548 /nfs/dbraw/zinc/46/65/48/427466548.db2.gz IBZWXKCHVPGJQP-HNNXBMFYSA-N -1 3 315.344 2.658 20 10 DFCDHM COc1c([O-])c(CNc2ccc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278467002 427438186 /nfs/dbraw/zinc/43/81/86/427438186.db2.gz GJINKHZUPOXHGY-UHFFFAOYSA-N -1 3 303.318 2.933 20 10 DFCDHM CC[C@H](N[C@@H]1CCCn2nc(COC)nc21)c1ccccc1[O-] ZINC000185213933 427613730 /nfs/dbraw/zinc/61/37/30/427613730.db2.gz JMSIOXGRLOTETO-UONOGXRCSA-N -1 3 316.405 2.706 20 10 DFCDHM CCOCCOCCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000294792337 427660723 /nfs/dbraw/zinc/66/07/23/427660723.db2.gz VFQBQCCQFWZCIV-UHFFFAOYSA-N -1 3 305.777 2.670 20 10 DFCDHM CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc(F)ccc1[O-] ZINC000185683479 427691118 /nfs/dbraw/zinc/69/11/18/427691118.db2.gz NMXNKSNTFBDKNC-MFKMUULPSA-N -1 3 304.369 2.871 20 10 DFCDHM C[C@H](NCCS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000186027597 427740643 /nfs/dbraw/zinc/74/06/43/427740643.db2.gz GTVYCRMUQZVZHX-JTQLQIEISA-N -1 3 319.854 2.910 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@@H](COC(C)C)C2)c1[O-] ZINC000372118006 428414544 /nfs/dbraw/zinc/41/45/44/428414544.db2.gz ZMZYFQYUZFPVOL-OAHLLOKOSA-N -1 3 313.825 2.980 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000373897364 428655092 /nfs/dbraw/zinc/65/50/92/428655092.db2.gz JXECAPVZCICTGN-TVQRCGJNSA-N -1 3 312.753 2.565 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN[C@@]1(CO)CCOc2ccccc21 ZINC000374135038 428665247 /nfs/dbraw/zinc/66/52/47/428665247.db2.gz DWEVLBCWXQFPPR-QGZVFWFLSA-N -1 3 319.788 2.806 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@H](C3CCCCC3)C2)c([O-])c1O ZINC000363862280 428999339 /nfs/dbraw/zinc/99/93/39/428999339.db2.gz YJZOMTRFILMKFY-HNNXBMFYSA-N -1 3 319.401 2.828 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCO[C@H](c2nncn2CC)C1 ZINC000365524456 429334627 /nfs/dbraw/zinc/33/46/27/429334627.db2.gz ANBZNZZTVALIOT-ZBFHGGJFSA-N -1 3 316.405 2.528 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H]1COc1ccccc1 ZINC000366154907 429426008 /nfs/dbraw/zinc/42/60/08/429426008.db2.gz DWXVBVVSKIMZJU-CYBMUJFWSA-N -1 3 313.353 2.781 20 10 DFCDHM CC(=O)Nc1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cn1 ZINC000279086759 278197786 /nfs/dbraw/zinc/19/77/86/278197786.db2.gz NCVRHKDXSCHGGV-SECBINFHSA-N -1 3 321.327 2.875 20 10 DFCDHM CC[C@H](N[C@H](C)C(=O)NCCF)c1cccc(Cl)c1[O-] ZINC000287096290 288076024 /nfs/dbraw/zinc/07/60/24/288076024.db2.gz PTKTZEAXJWVAST-SKDRFNHKSA-N -1 3 302.777 2.561 20 10 DFCDHM CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000182534663 294157554 /nfs/dbraw/zinc/15/75/54/294157554.db2.gz HWCAATBJMZPMPP-SJCJKPOMSA-N -1 3 307.390 2.682 20 10 DFCDHM CC[C@@H](N[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1[O-] ZINC000363753924 332240004 /nfs/dbraw/zinc/24/00/04/332240004.db2.gz VYFFXLSJVHBGGO-CABCVRRESA-N -1 3 317.410 2.962 20 10 DFCDHM Cn1ccnc1[C@@H](NCc1cccc(Cl)c1[O-])C(C)(C)CO ZINC000295114492 335132090 /nfs/dbraw/zinc/13/20/90/335132090.db2.gz VMEMNYUGUOZXKP-CQSZACIVSA-N -1 3 323.824 2.629 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H]2CCCc3c[nH]nc32)c1 ZINC000273459312 334047340 /nfs/dbraw/zinc/04/73/40/334047340.db2.gz HUTPZSIGKQQJCY-YGRLFVJLSA-N -1 3 315.373 2.630 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@]3(CCCCO3)C2)c([O-])c1O ZINC000373143339 336949869 /nfs/dbraw/zinc/94/98/69/336949869.db2.gz DSNPSQNNIFEULC-QGZVFWFLSA-N -1 3 305.374 2.582 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCCN(c2ccccn2)CC1 ZINC000375203416 337005765 /nfs/dbraw/zinc/00/57/65/337005765.db2.gz VJSKCFYTGPYHRA-UHFFFAOYSA-N -1 3 301.365 2.639 20 10 DFCDHM O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000375470991 337011738 /nfs/dbraw/zinc/01/17/38/337011738.db2.gz RNTRCJSFTLHFSN-ZIAGYGMSSA-N -1 3 309.793 2.616 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCc2ccccc2[C@H]1C(N)=O ZINC000377659824 337057776 /nfs/dbraw/zinc/05/77/76/337057776.db2.gz QQUQRDHFYXLCFA-WMZOPIPTSA-N -1 3 310.397 2.928 20 10 DFCDHM CCCOc1ccc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c([O-])c1 ZINC000377708699 337059368 /nfs/dbraw/zinc/05/93/68/337059368.db2.gz XOGXJMBEKAXBEZ-AEFFLSMTSA-N -1 3 321.417 2.561 20 10 DFCDHM O=C(NC1CC1)C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000378440038 337072846 /nfs/dbraw/zinc/07/28/46/337072846.db2.gz YHXDMTNJJSQTBR-UHFFFAOYSA-N -1 3 308.809 2.536 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c([O-])c1O ZINC000179477632 337169690 /nfs/dbraw/zinc/16/96/90/337169690.db2.gz ANRGBRFWWSQBEH-CQSZACIVSA-N -1 3 312.369 2.733 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2n2cccn2)c([O-])c1O ZINC000182543920 337188814 /nfs/dbraw/zinc/18/88/14/337188814.db2.gz WFLURJYNHNGGFO-UONOGXRCSA-N -1 3 315.373 2.516 20 10 DFCDHM CCn1cc([C@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)cn1 ZINC000191699062 337300665 /nfs/dbraw/zinc/30/06/65/337300665.db2.gz VOAKLIKSYZJMQA-MRXNPFEDSA-N -1 3 321.808 2.836 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCc2c3ccccc3[nH]c2C1 ZINC000193149105 337309888 /nfs/dbraw/zinc/30/98/88/337309888.db2.gz SGCIEXMGEXLLER-UHFFFAOYSA-N -1 3 308.337 2.778 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(O)cc1[O-] ZINC000436847375 338289924 /nfs/dbraw/zinc/28/99/24/338289924.db2.gz JUEPKYQQQOKTTQ-UHFFFAOYSA-N -1 3 310.353 2.828 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529500372 340758089 /nfs/dbraw/zinc/75/80/89/340758089.db2.gz FZABBCYFJBCSOR-NWJSVONSSA-N -1 3 314.385 2.616 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529500376 340758101 /nfs/dbraw/zinc/75/81/01/340758101.db2.gz FZABBCYFJBCSOR-UUIJZJDISA-N -1 3 314.385 2.616 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](N(C)C)[C@@H](C)C2)c1[O-] ZINC000124588323 518278215 /nfs/dbraw/zinc/27/82/15/518278215.db2.gz JJZVPZZNOIMQNH-BONVTDFDSA-N -1 3 310.825 2.630 20 10 DFCDHM CCCC(=O)N[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000124283549 519875880 /nfs/dbraw/zinc/87/58/80/519875880.db2.gz QAYIBEUQLPJGGB-GFCCVEGCSA-N -1 3 310.825 2.926 20 10 DFCDHM Cc1cc(Cl)cc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1[O-] ZINC000180260210 524861263 /nfs/dbraw/zinc/86/12/63/524861263.db2.gz NLKYJQMNWIVIOZ-WDEREUQCSA-N -1 3 319.854 2.607 20 10 DFCDHM CS(=O)(=O)CCN(Cc1c([O-])ccc2ccccc21)C1CC1 ZINC000157087241 525120395 /nfs/dbraw/zinc/12/03/95/525120395.db2.gz VUHBJOPVBXIDGZ-UHFFFAOYSA-N -1 3 319.426 2.554 20 10 DFCDHM Cc1ccc(C(=O)N2CCCN(C)c3ccccc32)c([O-])c1O ZINC000182478530 526094098 /nfs/dbraw/zinc/09/40/98/526094098.db2.gz KXUXJZFILCBDNT-UHFFFAOYSA-N -1 3 312.369 2.893 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCCC2=O)c([O-])c1O ZINC000182581416 526106760 /nfs/dbraw/zinc/10/67/60/526106760.db2.gz HYMMMKQUFBGJAY-OCCSQVGLSA-N -1 3 317.385 2.770 20 10 DFCDHM Cc1cc(Br)cc(CN2CCO[C@@H](C)C2)c1[O-] ZINC000124523936 526157539 /nfs/dbraw/zinc/15/75/39/526157539.db2.gz QTPWJHRGYKDRMK-JTQLQIEISA-N -1 3 300.196 2.684 20 10 DFCDHM Cc1ccc(C(=O)NC[C@H]2CCOc3ccccc32)c([O-])c1O ZINC000182408383 526180563 /nfs/dbraw/zinc/18/05/63/526180563.db2.gz HNMXKKUGXHWHHA-GFCCVEGCSA-N -1 3 313.353 2.702 20 10 DFCDHM Cc1nsc(N2CCN(Cc3c([O-])cccc3Cl)CC2)n1 ZINC000130971711 526711976 /nfs/dbraw/zinc/71/19/76/526711976.db2.gz GZUIJXBMEKRLLY-UHFFFAOYSA-N -1 3 324.837 2.528 20 10 DFCDHM CCC[C@H]1C[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277678170 535749748 /nfs/dbraw/zinc/74/97/48/535749748.db2.gz OLHSBPIBBPIXKB-GXFFZTMASA-N -1 3 322.792 2.998 20 10 DFCDHM Cc1cc(Br)c(O)c(CN2CCC[C@@H]2C(=O)[O-])c1 ZINC000820949322 597713132 /nfs/dbraw/zinc/71/31/32/597713132.db2.gz OVPPNQKTUOZHTB-LLVKDONJSA-N -1 3 314.179 2.512 20 10 DFCDHM COc1ccc(CSc2nccs2)cc1-c1nnn[n-]1 ZINC000826207776 607543975 /nfs/dbraw/zinc/54/39/75/607543975.db2.gz CTVJGUXKHSYXRQ-UHFFFAOYSA-N -1 3 305.388 2.624 20 10 DFCDHM COc1ccc(CSc2nccs2)cc1-c1nn[n-]n1 ZINC000826207776 607543977 /nfs/dbraw/zinc/54/39/77/607543977.db2.gz CTVJGUXKHSYXRQ-UHFFFAOYSA-N -1 3 305.388 2.624 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000834106332 605563089 /nfs/dbraw/zinc/56/30/89/605563089.db2.gz JCQATXLTXJUFDK-HIFRSBDPSA-N -1 3 304.390 2.747 20 10 DFCDHM O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000834106332 605563090 /nfs/dbraw/zinc/56/30/90/605563090.db2.gz JCQATXLTXJUFDK-HIFRSBDPSA-N -1 3 304.390 2.747 20 10 DFCDHM O=C([O-])N[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000834189306 605569410 /nfs/dbraw/zinc/56/94/10/605569410.db2.gz JWUNSWWVJACBSM-MRXNPFEDSA-N -1 3 312.369 2.901 20 10 DFCDHM O=C([O-])N[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000834189306 605569414 /nfs/dbraw/zinc/56/94/14/605569414.db2.gz JWUNSWWVJACBSM-MRXNPFEDSA-N -1 3 312.369 2.901 20 10 DFCDHM c1csc(SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000823763071 606868125 /nfs/dbraw/zinc/86/81/25/606868125.db2.gz YNCMIFGGGDPYQY-UHFFFAOYSA-N -1 3 319.415 2.884 20 10 DFCDHM c1csc(SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000823763071 606868126 /nfs/dbraw/zinc/86/81/26/606868126.db2.gz YNCMIFGGGDPYQY-UHFFFAOYSA-N -1 3 319.415 2.884 20 10 DFCDHM COc1ccc(N(C)Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000826208956 609173903 /nfs/dbraw/zinc/17/39/03/609173903.db2.gz HNDHCCJLKZRUMH-UHFFFAOYSA-N -1 3 319.365 2.712 20 10 DFCDHM COc1ccc(N(C)Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000826208956 609173904 /nfs/dbraw/zinc/17/39/04/609173904.db2.gz HNDHCCJLKZRUMH-UHFFFAOYSA-N -1 3 319.365 2.712 20 10 DFCDHM CC(C)(C)OC(=O)CN(Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976708 398605831 /nfs/dbraw/zinc/60/58/31/398605831.db2.gz FCDYMEULFKFFPJ-HNNXBMFYSA-N -1 3 321.417 2.715 20 10 DFCDHM COC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000093528523 398640681 /nfs/dbraw/zinc/64/06/81/398640681.db2.gz WFWVTHZGNNBDRE-GOSISDBHSA-N -1 3 313.397 2.906 20 10 DFCDHM C[C@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)NC(C)(C)C ZINC000187675367 299345090 /nfs/dbraw/zinc/34/50/90/299345090.db2.gz WRAPQLVDRXNQCV-IUCAKERBSA-N -1 3 300.349 2.624 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCN(c2cccc(O)c2)CC1 ZINC000272317218 130019845 /nfs/dbraw/zinc/01/98/45/130019845.db2.gz STECEMPBOMMCMV-UHFFFAOYSA-N -1 3 302.349 2.559 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C)c2cccnc2)c1 ZINC000273421177 130119628 /nfs/dbraw/zinc/11/96/28/130119628.db2.gz SEFJERJEJBDOSX-NEPJUHHUSA-N -1 3 300.358 2.986 20 10 DFCDHM C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502160 130129431 /nfs/dbraw/zinc/12/94/31/130129431.db2.gz QKHXAEQKFJGGLC-SJKOYZFVSA-N -1 3 311.385 2.663 20 10 DFCDHM COc1ccc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1O ZINC000273616654 130144917 /nfs/dbraw/zinc/14/49/17/130144917.db2.gz XNWUTIWOOSIAJX-SNVBAGLBSA-N -1 3 318.329 2.865 20 10 DFCDHM C[C@H](NCc1cccc(CO)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615754 130145396 /nfs/dbraw/zinc/14/53/96/130145396.db2.gz XHPFFJYTBJRNAA-NSHDSACASA-N -1 3 302.330 2.644 20 10 DFCDHM CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287823189 131302509 /nfs/dbraw/zinc/30/25/09/131302509.db2.gz VICCQTWFFFQDHR-KBPBESRZSA-N -1 3 309.797 2.553 20 10 DFCDHM Cc1ccc2c(c1)CN(C(=O)c1ccc(C)c(O)c1[O-])CCO2 ZINC000288241696 131317445 /nfs/dbraw/zinc/31/74/45/131317445.db2.gz FRHYWFQVJUZHSL-UHFFFAOYSA-N -1 3 313.353 2.749 20 10 DFCDHM C[C@@H]1CCN(Cc2c([O-])ccc3ccccc32)CCS1(=O)=O ZINC000191306724 296555867 /nfs/dbraw/zinc/55/58/67/296555867.db2.gz HDGYIBINWCRORF-CYBMUJFWSA-N -1 3 319.426 2.554 20 10 DFCDHM CO[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000282247146 286059241 /nfs/dbraw/zinc/05/92/41/286059241.db2.gz JJJGIZXKQJBZKC-SKDRFNHKSA-N -1 3 314.769 2.953 20 10 DFCDHM CC[C@@H]1c2cccn2CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000364696082 287372430 /nfs/dbraw/zinc/37/24/30/287372430.db2.gz AVFDLYVLNIKBPI-CYBMUJFWSA-N -1 3 300.358 2.815 20 10 DFCDHM Cc1cccc(C)c1-n1nnnc1CN(C)Cc1ccccc1[O-] ZINC000111235568 426039563 /nfs/dbraw/zinc/03/95/63/426039563.db2.gz PNRMKESWAQPUSW-UHFFFAOYSA-N -1 3 323.400 2.617 20 10 DFCDHM CCc1nc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)no1 ZINC000111232902 426039691 /nfs/dbraw/zinc/03/96/91/426039691.db2.gz MUNSZTPNLRSZES-CQSZACIVSA-N -1 3 317.389 2.519 20 10 DFCDHM Cc1cccc(OC[C@H](O)CNCc2c([O-])cccc2Cl)c1 ZINC000113327767 426112446 /nfs/dbraw/zinc/11/24/46/426112446.db2.gz OATSOSGVWUUNFQ-CYBMUJFWSA-N -1 3 321.804 2.884 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)CCc2ccncc2)c1[O-] ZINC000194824848 426493039 /nfs/dbraw/zinc/49/30/39/426493039.db2.gz UWLMFLCKTHRTLU-UHFFFAOYSA-N -1 3 302.349 2.803 20 10 DFCDHM Cc1ccc(C(=O)N2CCN(CCC(C)(C)C)CC2)c([O-])c1O ZINC000177675306 426504500 /nfs/dbraw/zinc/50/45/00/426504500.db2.gz IVBDATFSHGWESE-UHFFFAOYSA-N -1 3 320.433 2.600 20 10 DFCDHM Cc1csc(CCCCNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000177680833 426505326 /nfs/dbraw/zinc/50/53/26/426505326.db2.gz PFTWKMSSZUNDFX-UHFFFAOYSA-N -1 3 320.414 2.924 20 10 DFCDHM COc1c([O-])c(CNc2cn(C)nc2C(C)C)ccc1[N+](=O)[O-] ZINC000280873673 426674951 /nfs/dbraw/zinc/67/49/51/426674951.db2.gz NYFUMJIOJMFHMW-UHFFFAOYSA-N -1 3 320.349 2.778 20 10 DFCDHM [O-]c1c(F)cccc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289960364 426676658 /nfs/dbraw/zinc/67/66/58/426676658.db2.gz ZBXAOZXPPJLFRA-GHMZBOCLSA-N -1 3 307.287 2.524 20 10 DFCDHM [O-]c1c(Cl)cc(Cl)cc1CNC[C@@H](O)C(F)(F)F ZINC000227439328 426625924 /nfs/dbraw/zinc/62/59/24/426625924.db2.gz OFDSPCWDAMVOJV-MRVPVSSYSA-N -1 3 304.095 2.712 20 10 DFCDHM C[C@H](N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187753386 426690358 /nfs/dbraw/zinc/69/03/58/426690358.db2.gz LPWMDAPDUCVRMK-IJQVFZPHSA-N -1 3 305.324 2.979 20 10 DFCDHM CC[C@H](C)N(CC(=O)OC)Cc1cc(Cl)cc(OC)c1[O-] ZINC000281098052 426699525 /nfs/dbraw/zinc/69/95/25/426699525.db2.gz AERAFXRFNZXBNE-JTQLQIEISA-N -1 3 315.797 2.828 20 10 DFCDHM Cc1ccc(C(=O)N2CCC=C(Br)C2)c([O-])c1O ZINC000282281266 426871550 /nfs/dbraw/zinc/87/15/50/426871550.db2.gz LBKCOYRUXGFJKO-UHFFFAOYSA-N -1 3 312.163 2.531 20 10 DFCDHM C[C@H](N[C@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282491420 426914384 /nfs/dbraw/zinc/91/43/84/426914384.db2.gz RAWXMNOCVHDMJK-HZMBPMFUSA-N -1 3 316.361 2.762 20 10 DFCDHM CC[C@H](N[C@@H](C)C(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000291883472 427016330 /nfs/dbraw/zinc/01/63/30/427016330.db2.gz JSMGAHJCMHWUDB-CPCISQLKSA-N -1 3 305.205 2.874 20 10 DFCDHM NC(=O)c1ccc(CN(Cc2ccccc2[O-])C2CC2)c(F)c1 ZINC000292844578 427201453 /nfs/dbraw/zinc/20/14/53/427201453.db2.gz SOMCANBAKTUQBW-UHFFFAOYSA-N -1 3 314.360 2.795 20 10 DFCDHM CN(C)c1cccc(CNCc2cc(Cl)c(F)cc2[O-])n1 ZINC000293499504 427345340 /nfs/dbraw/zinc/34/53/40/427345340.db2.gz BKDSIUIEIMZMEI-UHFFFAOYSA-N -1 3 309.772 2.936 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@H](CC(F)(F)F)C2)c([O-])c1O ZINC000277710121 427293560 /nfs/dbraw/zinc/29/35/60/427293560.db2.gz XDEDHATVSPUTLQ-SECBINFHSA-N -1 3 303.280 2.821 20 10 DFCDHM CN(CCS(C)(=O)=O)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271084986 427402094 /nfs/dbraw/zinc/40/20/94/427402094.db2.gz SYSCCNLTKNVZFO-UHFFFAOYSA-N -1 3 319.426 2.536 20 10 DFCDHM C[C@@H](NCc1nncn1C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278153689 427417557 /nfs/dbraw/zinc/41/75/57/427417557.db2.gz AKJANLDKGYQMTD-SSDOTTSWSA-N -1 3 301.177 2.678 20 10 DFCDHM COc1c([O-])c(CN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000278159825 427422595 /nfs/dbraw/zinc/42/25/95/427422595.db2.gz DLOZYZNPBGRMBH-UHFFFAOYSA-N -1 3 314.341 2.867 20 10 DFCDHM COc1c([O-])c(CN2CCc3ccsc3C2)ccc1[N+](=O)[O-] ZINC000278314602 427426551 /nfs/dbraw/zinc/42/65/51/427426551.db2.gz XFZPPYLMEYJULU-UHFFFAOYSA-N -1 3 320.370 2.929 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ncccc2F)CC1 ZINC000271178978 427433953 /nfs/dbraw/zinc/43/39/53/427433953.db2.gz IMVNDTTXGMZEKR-UHFFFAOYSA-N -1 3 321.783 2.902 20 10 DFCDHM COc1c([O-])c(CNc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278634085 427446264 /nfs/dbraw/zinc/44/62/64/427446264.db2.gz HCWXQUXHLGDQKZ-UHFFFAOYSA-N -1 3 317.345 2.987 20 10 DFCDHM CCOC(=O)CN(Cc1cc(Cl)cc(OC)c1[O-])C1CC1 ZINC000184681179 427516555 /nfs/dbraw/zinc/51/65/55/427516555.db2.gz SQDYJACPNPJLNO-UHFFFAOYSA-N -1 3 313.781 2.582 20 10 DFCDHM COc1cc(Cl)cc(CN(C)[C@H](C)C(=O)OC(C)C)c1[O-] ZINC000184700480 427520467 /nfs/dbraw/zinc/52/04/67/427520467.db2.gz AFOMKRGGZDUSST-SNVBAGLBSA-N -1 3 315.797 2.826 20 10 DFCDHM [O-]c1ccc(-c2ccccc2)cc1CNCc1nnc2n1CCC2 ZINC000263654644 427530476 /nfs/dbraw/zinc/53/04/76/427530476.db2.gz FKRYNZFNGCYEGD-UHFFFAOYSA-N -1 3 320.396 2.887 20 10 DFCDHM CC(=O)Nc1ccc(CN[C@H](C)c2ccc(F)cc2[O-])cn1 ZINC000279091672 427556309 /nfs/dbraw/zinc/55/63/09/427556309.db2.gz NMVGTLJXRXUKJO-SNVBAGLBSA-N -1 3 303.337 2.736 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@H](c3cnn(C)c3)C2)c1[O-] ZINC000271749540 427585356 /nfs/dbraw/zinc/58/53/56/427585356.db2.gz BRBJVFXYHSWNLD-HNNXBMFYSA-N -1 3 321.808 2.661 20 10 DFCDHM CCOC(=O)c1cc(CN(C)Cc2ccccc2[O-])[nH]c1C ZINC000294676684 427648556 /nfs/dbraw/zinc/64/85/56/427648556.db2.gz CZHAWSGXHSHQIG-UHFFFAOYSA-N -1 3 302.374 2.837 20 10 DFCDHM O=C1C[C@@H](c2ccccc2)N(Cc2cccc(F)c2[O-])CCN1 ZINC000272234717 427680806 /nfs/dbraw/zinc/68/08/06/427680806.db2.gz FLPOKFAZUXEHQP-INIZCTEOSA-N -1 3 314.360 2.595 20 10 DFCDHM Cc1nn(C)c(CN(C)Cc2ccccc2[O-])c1Br ZINC000279693966 427716319 /nfs/dbraw/zinc/71/63/19/427716319.db2.gz CCZGLZQYUZHVHC-UHFFFAOYSA-N -1 3 324.222 2.829 20 10 DFCDHM CC[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000369545196 427995693 /nfs/dbraw/zinc/99/56/93/427995693.db2.gz DOEBFDFEHZWQOP-ZBFHGGJFSA-N -1 3 311.809 2.816 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCO[C@H]3CCC[C@@H]32)c1[O-] ZINC000370170916 428149579 /nfs/dbraw/zinc/14/95/79/428149579.db2.gz VWUYHYSMWGKYRX-HOTGVXAUSA-N -1 3 307.365 2.877 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2cccc(F)c2)C1 ZINC000370609683 428251714 /nfs/dbraw/zinc/25/17/14/428251714.db2.gz CDDJSHIEZOAPIA-LBPRGKRZSA-N -1 3 301.317 2.867 20 10 DFCDHM NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cccc(Cl)c1[O-] ZINC000371422979 428389736 /nfs/dbraw/zinc/38/97/36/428389736.db2.gz HZIAMNJFVVDMAI-BPNCWPANSA-N -1 3 308.809 2.664 20 10 DFCDHM CCCOc1ccc(CN2CCC[C@H]2c2ncon2)c([O-])c1 ZINC000371375527 428384884 /nfs/dbraw/zinc/38/48/84/428384884.db2.gz VCXICOFZWQRITB-AWEZNQCLSA-N -1 3 303.362 2.901 20 10 DFCDHM Cc1nc(C)n([C@H]2CCCN(Cc3cccc(F)c3[O-])C2)n1 ZINC000373144206 428521875 /nfs/dbraw/zinc/52/18/75/428521875.db2.gz ZBEQUXDYZUIMAI-AWEZNQCLSA-N -1 3 304.369 2.577 20 10 DFCDHM [O-]c1ccccc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000361056178 428533583 /nfs/dbraw/zinc/53/35/83/428533583.db2.gz XUCGLNYOFANABC-UHFFFAOYSA-N -1 3 320.396 2.590 20 10 DFCDHM CC1(C)CN(Cc2cccc(F)c2[O-])C[C@]2(CCCOC2)O1 ZINC000373602856 428616341 /nfs/dbraw/zinc/61/63/41/428616341.db2.gz GVLOHRSGMZGRNR-KRWDZBQOSA-N -1 3 309.381 2.691 20 10 DFCDHM CCCN(Cc1nnc2n1CCCC2)Cc1ccccc1[O-] ZINC000362617569 428793235 /nfs/dbraw/zinc/79/32/35/428793235.db2.gz QYIONRUIRLGVGP-UHFFFAOYSA-N -1 3 300.406 2.732 20 10 DFCDHM Nc1nccc([C@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000375074414 428797916 /nfs/dbraw/zinc/79/79/16/428797916.db2.gz LTIODAXISCXSQB-NSHDSACASA-N -1 3 318.808 2.797 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC(Cc2ccc(F)cc2F)C1 ZINC000364539068 429220633 /nfs/dbraw/zinc/22/06/33/429220633.db2.gz OPWGHJJMEIHTTR-UHFFFAOYSA-N -1 3 319.307 2.691 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@@H](Oc2ccccc2)C1 ZINC000365757276 429367065 /nfs/dbraw/zinc/36/70/65/429367065.db2.gz IBQAFSNTKMDVIE-CQSZACIVSA-N -1 3 313.353 2.781 20 10 DFCDHM COc1cc(Cl)cc(CN2CC(n3cc(C)cn3)C2)c1[O-] ZINC000366683171 429494800 /nfs/dbraw/zinc/49/48/00/429494800.db2.gz KAPGMYGGWXIHAL-UHFFFAOYSA-N -1 3 307.781 2.616 20 10 DFCDHM O=C(C=Cc1cncc([O-])c1)N1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000492622775 429581513 /nfs/dbraw/zinc/58/15/13/429581513.db2.gz YBAYCVNVEXZJKZ-IRBQFCFKSA-N -1 3 320.348 2.907 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000367457444 429653037 /nfs/dbraw/zinc/65/30/37/429653037.db2.gz GMVWCRDMSDNXJU-HOTGVXAUSA-N -1 3 307.365 2.877 20 10 DFCDHM C[C@H]1Oc2ccccc2[C@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000367392955 429640990 /nfs/dbraw/zinc/64/09/90/429640990.db2.gz WWNXUIOXYSEXPC-HWPZZCPQSA-N -1 3 300.314 2.912 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1COc2ccccc2[C@@H]1O ZINC000367287503 429613095 /nfs/dbraw/zinc/61/30/95/429613095.db2.gz QRHRMMJEIWXTFE-LRDDRELGSA-N -1 3 323.751 2.769 20 10 DFCDHM Cc1ncccc1O[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000368978018 429905537 /nfs/dbraw/zinc/90/55/37/429905537.db2.gz NKFIZQLINPKUOR-AWEZNQCLSA-N -1 3 302.349 2.888 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000368586789 429871699 /nfs/dbraw/zinc/87/16/99/429871699.db2.gz ZPFYARURNSKXHX-DLBZAZTESA-N -1 3 310.397 2.756 20 10 DFCDHM CC[C@H](NCCS(=O)(=O)CC)c1cccc(Cl)c1[O-] ZINC000287267650 288042072 /nfs/dbraw/zinc/04/20/72/288042072.db2.gz ASZAXDRKFUZENL-LBPRGKRZSA-N -1 3 305.827 2.521 20 10 DFCDHM CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])[C@H](O)C(F)(F)F ZINC000273452898 288060953 /nfs/dbraw/zinc/06/09/53/288060953.db2.gz GNHLVISKZDPCOM-JWYUURKGSA-N -1 3 322.283 2.653 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000366463084 297032115 /nfs/dbraw/zinc/03/21/15/297032115.db2.gz NVATURXSMPEAHV-MLGOLLRUSA-N -1 3 311.809 2.816 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@@H](Cc3ccncc3)C2)c([O-])c1O ZINC000363680023 332218184 /nfs/dbraw/zinc/21/81/84/332218184.db2.gz XCKCATXVXKYEIL-AWEZNQCLSA-N -1 3 312.369 2.506 20 10 DFCDHM CCN(Cc1cc(Cl)c(F)cc1[O-])C[C@@H](O)C(F)(F)F ZINC000294608214 335126469 /nfs/dbraw/zinc/12/64/69/335126469.db2.gz IHWAWZNPAQUPLP-LLVKDONJSA-N -1 3 315.694 2.930 20 10 DFCDHM COc1c([O-])c(CNc2ccc3c(n2)CCC3)ccc1[N+](=O)[O-] ZINC000294742470 335127308 /nfs/dbraw/zinc/12/73/08/335127308.db2.gz CKLXKFURARALSN-UHFFFAOYSA-N -1 3 315.329 2.805 20 10 DFCDHM [O-]c1ccccc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000271368693 334021736 /nfs/dbraw/zinc/02/17/36/334021736.db2.gz OWJKWPMGQMGULG-CJNGLKHVSA-N -1 3 305.324 2.978 20 10 DFCDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000272273962 334032620 /nfs/dbraw/zinc/03/26/20/334032620.db2.gz LTSMFZKHPVXAGV-CYBMUJFWSA-N -1 3 324.396 2.973 20 10 DFCDHM [O-]c1cccc(Cl)c1CN[C@@H]1COc2ccccc2[C@@H]1O ZINC000367282084 336598148 /nfs/dbraw/zinc/59/81/48/336598148.db2.gz GNIANHXQRTXZJT-CJNGLKHVSA-N -1 3 305.761 2.630 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000377690015 337058484 /nfs/dbraw/zinc/05/84/84/337058484.db2.gz FYMDMRXHLYIWQZ-CABCVRRESA-N -1 3 311.809 2.734 20 10 DFCDHM O=C1CCCN1CC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000378441812 337072810 /nfs/dbraw/zinc/07/28/10/337072810.db2.gz IEQHAVANCGDOOY-UHFFFAOYSA-N -1 3 322.836 2.880 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c([O-])c1O ZINC000179477623 337169759 /nfs/dbraw/zinc/16/97/59/337169759.db2.gz ANRGBRFWWSQBEH-AWEZNQCLSA-N -1 3 312.369 2.733 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)C(=O)[N-]C2=O ZINC000392599970 337264896 /nfs/dbraw/zinc/26/48/96/337264896.db2.gz IXEMZTHAOLFGRH-UHFFFAOYSA-N -1 3 319.364 2.982 20 10 DFCDHM CO[C@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2[O-])C1 ZINC000190146132 337285179 /nfs/dbraw/zinc/28/51/79/337285179.db2.gz ONWNNEPQVKQBPW-QWHCGFSZSA-N -1 3 323.780 2.699 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000191436140 337296999 /nfs/dbraw/zinc/29/69/99/337296999.db2.gz KXVUNMLXQPFEPT-WCQYABFASA-N -1 3 317.813 2.891 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1c([O-])cccc1O ZINC000436997788 338297199 /nfs/dbraw/zinc/29/71/99/338297199.db2.gz FXMKWUYVAUNNBV-UHFFFAOYSA-N -1 3 310.353 2.828 20 10 DFCDHM C[C@@]1(Br)C[C@@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000529511507 340758512 /nfs/dbraw/zinc/75/85/12/340758512.db2.gz JGOGKBXWVUFQRE-BXKDBHETSA-N -1 3 318.598 2.835 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCN3CCC[C@H]3C2)c1[O-] ZINC000246098073 341325236 /nfs/dbraw/zinc/32/52/36/341325236.db2.gz ALEXGLAPTSWCEX-AWEZNQCLSA-N -1 3 308.809 2.528 20 10 DFCDHM CC(C)COC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000181484771 519750188 /nfs/dbraw/zinc/75/01/88/519750188.db2.gz ULIJNOJXSFWXPY-MRXNPFEDSA-N -1 3 321.417 2.572 20 10 DFCDHM CC[C@H]1CN(Cc2cc(Br)ccc2[O-])CCO1 ZINC000132012921 523285908 /nfs/dbraw/zinc/28/59/08/523285908.db2.gz DBUROQUWNFPALN-LBPRGKRZSA-N -1 3 300.196 2.766 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@@](O)(C(F)(F)F)C2)c1[O-] ZINC000180406583 524864240 /nfs/dbraw/zinc/86/42/40/524864240.db2.gz KSGYRXBZKQUVGH-LBPRGKRZSA-N -1 3 309.715 2.853 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c([O-])c1O ZINC000182600594 526194395 /nfs/dbraw/zinc/19/43/95/526194395.db2.gz BMBXEQNFLDQXDC-WFASDCNBSA-N -1 3 315.369 2.648 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCC3)C2)c([O-])c1O ZINC000182830928 526202917 /nfs/dbraw/zinc/20/29/17/526202917.db2.gz JAROIPCXUGXZJD-GFCCVEGCSA-N -1 3 305.374 2.628 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCN(Cc2cccc(O)c2)CC1 ZINC000180034210 526358976 /nfs/dbraw/zinc/35/89/76/526358976.db2.gz WLWALPWXNVZETH-UHFFFAOYSA-N -1 3 316.376 2.555 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCN(c2cccc(O)c2)CC1 ZINC000179891843 526365973 /nfs/dbraw/zinc/36/59/73/526365973.db2.gz HEKAHLXOHZTBNI-UHFFFAOYSA-N -1 3 302.349 2.559 20 10 DFCDHM COc1ccc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1O ZINC000273616653 536897057 /nfs/dbraw/zinc/89/70/57/536897057.db2.gz XNWUTIWOOSIAJX-JTQLQIEISA-N -1 3 318.329 2.865 20 10 DFCDHM CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345948 603595351 /nfs/dbraw/zinc/59/53/51/603595351.db2.gz NBOQLFICONSZHW-CYBMUJFWSA-N -1 3 322.405 2.579 20 10 DFCDHM O=C([O-])N(CC1CC1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000834062383 605692685 /nfs/dbraw/zinc/69/26/85/605692685.db2.gz IEGKLFRBBPIASD-UHFFFAOYSA-N -1 3 304.390 2.747 20 10 DFCDHM COc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000826208855 609174181 /nfs/dbraw/zinc/17/41/81/609174181.db2.gz CMVSGOGPYVDTTE-UHFFFAOYSA-N -1 3 319.365 2.712 20 10 DFCDHM CC(C)(C)OC(=O)CN(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976709 398605809 /nfs/dbraw/zinc/60/58/09/398605809.db2.gz FCDYMEULFKFFPJ-OAHLLOKOSA-N -1 3 321.417 2.715 20 10 DFCDHM COC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2[O-])CCO1 ZINC000093528521 398640574 /nfs/dbraw/zinc/64/05/74/398640574.db2.gz WFWVTHZGNNBDRE-SFHVURJKSA-N -1 3 313.397 2.906 20 10 DFCDHM CCCNC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184882036 283372000 /nfs/dbraw/zinc/37/20/00/283372000.db2.gz CGIPJFRTWJLQFV-MRVPVSSYSA-N -1 3 305.205 2.876 20 10 DFCDHM NC(=O)c1ccc(CN(Cc2cccc(F)c2[O-])C2CC2)cc1 ZINC000272327133 130021173 /nfs/dbraw/zinc/02/11/73/130021173.db2.gz VKAAUJRGFGIQCT-UHFFFAOYSA-N -1 3 314.360 2.795 20 10 DFCDHM CCn1nc(NC(=O)c2ccc(C)c(O)c2[O-])cc1C1CC1 ZINC000272548408 130041091 /nfs/dbraw/zinc/04/10/91/130041091.db2.gz AKKHXSFXKCAOEG-UHFFFAOYSA-N -1 3 301.346 2.752 20 10 DFCDHM C[C@@H](NCc1ccc(CO)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273374636 130113997 /nfs/dbraw/zinc/11/39/97/130113997.db2.gz GWPODOYMAFBNLP-SNVBAGLBSA-N -1 3 320.320 2.783 20 10 DFCDHM C[C@@H](NCc1cccc2c1OCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391055 130116590 /nfs/dbraw/zinc/11/65/90/130116590.db2.gz KQQBHNDAPWMMNN-SNVBAGLBSA-N -1 3 316.313 2.880 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2ccc(O)cc2)CC1 ZINC000275187894 130297392 /nfs/dbraw/zinc/29/73/92/130297392.db2.gz ZBLARNGOKRYVEE-UHFFFAOYSA-N -1 3 313.353 2.823 20 10 DFCDHM CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1cccc(F)c1[O-] ZINC000284522123 131088547 /nfs/dbraw/zinc/08/85/47/131088547.db2.gz DXFDLVMSOCDZAS-NUEKZKHPSA-N -1 3 309.381 2.547 20 10 DFCDHM C[C@@H](NCc1cnnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000287138846 131266177 /nfs/dbraw/zinc/26/61/77/131266177.db2.gz ANWDVFNDKZPBOV-SSDOTTSWSA-N -1 3 301.177 2.678 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)c([O-])c1O ZINC000267553849 292059704 /nfs/dbraw/zinc/05/97/04/292059704.db2.gz DKTWTTOFRXNKQC-HNNXBMFYSA-N -1 3 313.353 2.620 20 10 DFCDHM C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1[O-] ZINC000109768897 426032531 /nfs/dbraw/zinc/03/25/31/426032531.db2.gz CPNYRMNCKWGCNA-RBSFLKMASA-N -1 3 304.434 2.717 20 10 DFCDHM C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)Cc1ccccc1[O-] ZINC000109768901 426032565 /nfs/dbraw/zinc/03/25/65/426032565.db2.gz UUFRWSXUKVITPV-FMKPAKJESA-N -1 3 304.434 2.907 20 10 DFCDHM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(OC)ccc1[O-] ZINC000078761910 426184938 /nfs/dbraw/zinc/18/49/38/426184938.db2.gz TYAUXVSCAUNSGC-MRXNPFEDSA-N -1 3 318.417 2.944 20 10 DFCDHM C[C@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1ccccc1[O-] ZINC000121136928 426321665 /nfs/dbraw/zinc/32/16/65/426321665.db2.gz OGEDUUVCJGASBK-OAHLLOKOSA-N -1 3 324.424 2.797 20 10 DFCDHM CCCN(CCc1ccccn1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177676517 426503083 /nfs/dbraw/zinc/50/30/83/426503083.db2.gz SCNQGHFJMLQFEN-UHFFFAOYSA-N -1 3 314.385 2.896 20 10 DFCDHM COc1c([O-])c(CN2CCO[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000280456467 426579075 /nfs/dbraw/zinc/57/90/75/426579075.db2.gz LUSJXNWCEXEIAM-ZDUSSCGKSA-N -1 3 324.377 2.556 20 10 DFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000187019082 426619535 /nfs/dbraw/zinc/61/95/35/426619535.db2.gz PKRBKGRBZAJTRY-WBMJQRKESA-N -1 3 313.353 2.700 20 10 DFCDHM CCC(CC)c1cc(CNC(=O)c2cccc(O)c2[O-])on1 ZINC000187134157 426631939 /nfs/dbraw/zinc/63/19/39/426631939.db2.gz YXQDTFHBYCEHKS-UHFFFAOYSA-N -1 3 304.346 2.919 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCCC[C@H]1c1nccs1 ZINC000187144955 426633690 /nfs/dbraw/zinc/63/36/90/426633690.db2.gz AZOJHBXNCPSLTD-NSHDSACASA-N -1 3 304.371 2.922 20 10 DFCDHM COc1cc(Cl)cc(CN2CCOC[C@@H]2CC(F)F)c1[O-] ZINC000289966229 426677531 /nfs/dbraw/zinc/67/75/31/426677531.db2.gz ZGNGTXJIUSIMSB-NSHDSACASA-N -1 3 321.751 2.910 20 10 DFCDHM CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290233550 426722958 /nfs/dbraw/zinc/72/29/58/426722958.db2.gz RYLXAFKZKDYPNM-SWPVVBRQSA-N -1 3 306.189 2.763 20 10 DFCDHM CC[C@@](C)(NC(=O)c1ccc(C)c(O)c1[O-])c1nccs1 ZINC000179511824 426797788 /nfs/dbraw/zinc/79/77/88/426797788.db2.gz IFOADCCXOQLESA-OAHLLOKOSA-N -1 3 306.387 2.918 20 10 DFCDHM CCCOC(=O)[C@@H](C)N(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246614301 426849883 /nfs/dbraw/zinc/84/98/83/426849883.db2.gz GWMVNUSOJIADJO-GDBMZVCRSA-N -1 3 321.417 2.715 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(OC3CCCC3)CC2)c([O-])c1O ZINC000179467636 426791755 /nfs/dbraw/zinc/79/17/55/426791755.db2.gz TWKOZDHLFPIPGP-UHFFFAOYSA-N -1 3 319.401 2.970 20 10 DFCDHM CCc1nnc(CNCc2cc(Cl)cc(OC)c2[O-])s1 ZINC000291010653 426872872 /nfs/dbraw/zinc/87/28/72/426872872.db2.gz WVBAHVZFXGOVCF-UHFFFAOYSA-N -1 3 313.810 2.758 20 10 DFCDHM COCCn1cc(CN[C@@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000282735475 426925315 /nfs/dbraw/zinc/92/53/15/426925315.db2.gz MWICQOOZQKATFL-NSHDSACASA-N -1 3 309.797 2.739 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)[C@@H](CO)c2ccccc2)c1[O-] ZINC000267485978 426883759 /nfs/dbraw/zinc/88/37/59/426883759.db2.gz LRFLMBRXJLDJMN-KRWDZBQOSA-N -1 3 317.360 2.899 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(C2OCCO2)CC1 ZINC000295451269 426964576 /nfs/dbraw/zinc/96/45/76/426964576.db2.gz VFRAAEDQWLBLRL-UHFFFAOYSA-N -1 3 315.772 2.770 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000292005492 427054441 /nfs/dbraw/zinc/05/44/41/427054441.db2.gz XOMPYLBJPHBUIZ-CQSZACIVSA-N -1 3 319.792 2.892 20 10 DFCDHM CC(C)=CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277198658 427139076 /nfs/dbraw/zinc/13/90/76/427139076.db2.gz DMYLRCDJEOXWKG-UHFFFAOYSA-N -1 3 308.765 2.776 20 10 DFCDHM CCc1nocc1CN(C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000293289833 427273813 /nfs/dbraw/zinc/27/38/13/427273813.db2.gz DEIZBDWTOGFXOQ-UHFFFAOYSA-N -1 3 306.337 2.916 20 10 DFCDHM CC(C)(C)c1cnc(SCCCOC([O-])=NC(N)=O)s1 ZINC000270118368 427318595 /nfs/dbraw/zinc/31/85/95/427318595.db2.gz JLSFZCHFEOZSQY-UHFFFAOYSA-N -1 3 317.436 2.728 20 10 DFCDHM CC(C)(C)c1cnc(SCCCOC(=O)N=C(N)[O-])s1 ZINC000270118368 427318601 /nfs/dbraw/zinc/31/86/01/427318601.db2.gz JLSFZCHFEOZSQY-UHFFFAOYSA-N -1 3 317.436 2.728 20 10 DFCDHM CC(C)(C)c1cnc(SCCCOC(=O)[N-]C(N)=O)s1 ZINC000270118368 427318605 /nfs/dbraw/zinc/31/86/05/427318605.db2.gz JLSFZCHFEOZSQY-UHFFFAOYSA-N -1 3 317.436 2.728 20 10 DFCDHM Cc1cc(CN2CCN(Cc3c([O-])cccc3Cl)CC2)no1 ZINC000271031367 427377751 /nfs/dbraw/zinc/37/77/51/427377751.db2.gz IHAAZKPXXWTTRZ-UHFFFAOYSA-N -1 3 321.808 2.660 20 10 DFCDHM CC[C@@H](C)NC(=O)[C@H](C)NCc1cc(Cl)c(F)cc1[O-] ZINC000293624530 427386146 /nfs/dbraw/zinc/38/61/46/427386146.db2.gz MTQRXXGUQUNIOP-BDAKNGLRSA-N -1 3 302.777 2.578 20 10 DFCDHM Cc1nc2n(n1)CCC[C@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000293676519 427403359 /nfs/dbraw/zinc/40/33/59/427403359.db2.gz RATDFUGEFZGZRR-GFCCVEGCSA-N -1 3 310.760 2.709 20 10 DFCDHM CCNC(=O)[C@@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278227044 427423469 /nfs/dbraw/zinc/42/34/69/427423469.db2.gz JRNSPVPGBOOCIB-HTQZYQBOSA-N -1 3 305.205 2.874 20 10 DFCDHM COC[C@H](NCc1cc(F)cc(C(C)=O)c1[O-])c1ccco1 ZINC000184577604 427493420 /nfs/dbraw/zinc/49/34/20/427493420.db2.gz BKBAUNVQIRQQLS-AWEZNQCLSA-N -1 3 307.321 2.804 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000294323321 427622223 /nfs/dbraw/zinc/62/22/23/427622223.db2.gz RBGLFUBZPLBSJC-LLVKDONJSA-N -1 3 324.787 2.688 20 10 DFCDHM COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000271919583 427598082 /nfs/dbraw/zinc/59/80/82/427598082.db2.gz DGFHWYLHDSAJBU-UHFFFAOYSA-N -1 3 321.398 2.690 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC2(CC1)OCCO2 ZINC000294834927 427660104 /nfs/dbraw/zinc/66/01/04/427660104.db2.gz HLFFRAYIBBLBRT-UHFFFAOYSA-N -1 3 301.745 2.524 20 10 DFCDHM Cn1cnc(CN[C@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000294974429 427669506 /nfs/dbraw/zinc/66/95/06/427669506.db2.gz ZRMBVELRLUBZNN-QGZVFWFLSA-N -1 3 322.412 2.984 20 10 DFCDHM Cc1cccnc1[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)C ZINC000185663488 427687702 /nfs/dbraw/zinc/68/77/02/427687702.db2.gz FDTUIACGHSGTMT-AWEZNQCLSA-N -1 3 300.358 2.928 20 10 DFCDHM CC(C)c1nc([C@@H]2CN(Cc3cc(F)ccc3[O-])CCO2)no1 ZINC000371535593 428394887 /nfs/dbraw/zinc/39/48/87/428394887.db2.gz RLOIVDVLXUOOSU-AWEZNQCLSA-N -1 3 321.352 2.611 20 10 DFCDHM CCCOc1ccc(CN2CCn3cc(C)nc3C2)c([O-])c1 ZINC000374697217 428735391 /nfs/dbraw/zinc/73/53/91/428735391.db2.gz FNJDBRSVNLGZOO-UHFFFAOYSA-N -1 3 301.390 2.702 20 10 DFCDHM Cc1ccccc1[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000365598024 429347597 /nfs/dbraw/zinc/34/75/97/429347597.db2.gz JZYSNVBKAMZXHG-MRXNPFEDSA-N -1 3 313.353 2.620 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC2(Cc3ccccc3C2)C1 ZINC000365753090 429366779 /nfs/dbraw/zinc/36/67/79/429366779.db2.gz LGSWBLMTLAQPHZ-UHFFFAOYSA-N -1 3 309.365 2.729 20 10 DFCDHM CCn1nncc1CN[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000527916682 429819949 /nfs/dbraw/zinc/81/99/49/429819949.db2.gz QJBDKCPDYTTWMB-SECBINFHSA-N -1 3 314.311 2.873 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOCC3(CCC3)C2)c1[O-] ZINC000368714961 429890005 /nfs/dbraw/zinc/89/00/05/429890005.db2.gz LCPJHWMLEDSELV-UHFFFAOYSA-N -1 3 307.365 2.736 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCCN(c2ncccc2F)CC1 ZINC000369054212 429909613 /nfs/dbraw/zinc/90/96/13/429909613.db2.gz ZBKYTUIDDHXPQH-UHFFFAOYSA-N -1 3 319.355 2.778 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2[C@H](C)CC(O)C[C@H]2C)c1[O-] ZINC000191137507 278244045 /nfs/dbraw/zinc/24/40/45/278244045.db2.gz UUJZCKJZJIBZCP-NXEZZACHSA-N -1 3 311.809 2.982 20 10 DFCDHM COc1ccc([C@H]2CCN(C(=O)c3cccc(O)c3[O-])C2)cc1 ZINC000187439950 333232691 /nfs/dbraw/zinc/23/26/91/333232691.db2.gz DTGXCHHVACADTA-ZDUSSCGKSA-N -1 3 313.353 2.736 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC(C)(CO)CC2)c1[O-] ZINC000186947564 333381856 /nfs/dbraw/zinc/38/18/56/333381856.db2.gz WOHVQMRAAWNJIQ-UHFFFAOYSA-N -1 3 311.809 2.843 20 10 DFCDHM COC1(C)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000272344043 334033694 /nfs/dbraw/zinc/03/36/94/334033694.db2.gz IRNDJIVCYDZYLR-UHFFFAOYSA-N -1 3 314.769 2.955 20 10 DFCDHM COc1ncc(C)cc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278515006 334097423 /nfs/dbraw/zinc/09/74/23/334097423.db2.gz QRLNWSJUFPFJAU-UHFFFAOYSA-N -1 3 319.317 2.633 20 10 DFCDHM Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)c([O-])c1O ZINC000282129148 334131745 /nfs/dbraw/zinc/13/17/45/334131745.db2.gz PFULFELOFAISNJ-CQSZACIVSA-N -1 3 315.373 2.507 20 10 DFCDHM Cc1ccc(C(=O)NCC(C)(C)c2ccccn2)c([O-])c1O ZINC000295631054 334226121 /nfs/dbraw/zinc/22/61/21/334226121.db2.gz AAIKDPSZCRKMII-UHFFFAOYSA-N -1 3 300.358 2.509 20 10 DFCDHM Cc1cnc([C@H]2CCCN(C(=O)c3cccc(O)c3[O-])C2)s1 ZINC000375679044 337016246 /nfs/dbraw/zinc/01/62/46/337016246.db2.gz NLACWPHKIOBGLC-NSHDSACASA-N -1 3 318.398 2.883 20 10 DFCDHM COCCn1cc2c(n1)[C@H](NCc1cc(F)ccc1[O-])CCC2 ZINC000376613776 337038122 /nfs/dbraw/zinc/03/81/22/337038122.db2.gz AANNUIHMHLWCKB-OAHLLOKOSA-N -1 3 319.380 2.541 20 10 DFCDHM CCCOc1ccc(CN2CC[S@](=O)CC[C@@H]2C)c([O-])c1 ZINC000376660757 337039300 /nfs/dbraw/zinc/03/93/00/337039300.db2.gz ZSWRNBSQURPYFP-YEJXKQKISA-N -1 3 311.447 2.524 20 10 DFCDHM CCCOc1ccc(CN2CC[S@](=O)CC[C@H]2C)c([O-])c1 ZINC000376660755 337039314 /nfs/dbraw/zinc/03/93/14/337039314.db2.gz ZSWRNBSQURPYFP-LRTDBIEQSA-N -1 3 311.447 2.524 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@@H](CO)C2)c1[O-] ZINC000377244470 337049239 /nfs/dbraw/zinc/04/92/39/337049239.db2.gz XHTLDBQMHUDHNW-SNVBAGLBSA-N -1 3 314.769 2.548 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC(OC2CCOCC2)CC1 ZINC000378500353 337074493 /nfs/dbraw/zinc/07/44/93/337074493.db2.gz UGRWYZYESIEVTP-UHFFFAOYSA-N -1 3 309.381 2.691 20 10 DFCDHM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1nnc2n1CCCC2 ZINC000185585437 337249185 /nfs/dbraw/zinc/24/91/85/337249185.db2.gz VQGWWNZEPOLULW-QWRGUYRKSA-N -1 3 304.369 2.871 20 10 DFCDHM O=C(NC1CCN(c2cccs2)CC1)c1cccc(O)c1[O-] ZINC000193131756 337308489 /nfs/dbraw/zinc/30/84/89/337308489.db2.gz ZQECGTYMZASMCX-UHFFFAOYSA-N -1 3 318.398 2.558 20 10 DFCDHM CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180015382 518840286 /nfs/dbraw/zinc/84/02/86/518840286.db2.gz PRZXKLFVJXDYFH-ZDUSSCGKSA-N -1 3 310.369 2.630 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@H](C)c1nc(COC)no1 ZINC000181932614 521690450 /nfs/dbraw/zinc/69/04/50/521690450.db2.gz INJORTIGTWZAHN-GFCCVEGCSA-N -1 3 305.378 2.895 20 10 DFCDHM CNC(=O)[C@]1(C)CCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000228099456 521775319 /nfs/dbraw/zinc/77/53/19/521775319.db2.gz PGEGCQAGDOBBQS-CQSZACIVSA-N -1 3 317.216 2.657 20 10 DFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@H](C)CO1 ZINC000132191363 524984702 /nfs/dbraw/zinc/98/47/02/524984702.db2.gz NFLDLAVFWREDCA-NXEZZACHSA-N -1 3 300.196 2.764 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c([O-])c1O ZINC000181831563 526095354 /nfs/dbraw/zinc/09/53/54/526095354.db2.gz RSYOMQQAJHBBEL-SECBINFHSA-N -1 3 303.280 2.821 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c([O-])c1O ZINC000181831543 526102552 /nfs/dbraw/zinc/10/25/52/526102552.db2.gz RSYOMQQAJHBBEL-VIFPVBQESA-N -1 3 303.280 2.821 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)c([O-])c1O ZINC000267553853 526118920 /nfs/dbraw/zinc/11/89/20/526118920.db2.gz DKTWTTOFRXNKQC-OAHLLOKOSA-N -1 3 313.353 2.620 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c([O-])c1O ZINC000182602264 526119092 /nfs/dbraw/zinc/11/90/92/526119092.db2.gz IEPLXWUMKNMUCB-CYBMUJFWSA-N -1 3 319.382 2.681 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c([O-])c1O ZINC000182602244 526120618 /nfs/dbraw/zinc/12/06/18/526120618.db2.gz IEPLXWUMKNMUCB-ZDUSSCGKSA-N -1 3 319.382 2.681 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H](C)CC(=O)c2cccs2)c([O-])c1O ZINC000182887640 526192854 /nfs/dbraw/zinc/19/28/54/526192854.db2.gz CFLUSAUNVNYQNA-JTQLQIEISA-N -1 3 319.382 2.859 20 10 DFCDHM Cc1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)c([O-])c1O ZINC000182887658 526207855 /nfs/dbraw/zinc/20/78/55/526207855.db2.gz CFLUSAUNVNYQNA-SNVBAGLBSA-N -1 3 319.382 2.859 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000228144173 526341886 /nfs/dbraw/zinc/34/18/86/526341886.db2.gz LKTRRJPJIPJKPK-TZMCWYRMSA-N -1 3 312.207 2.908 20 10 DFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CC1 ZINC000158067747 526891755 /nfs/dbraw/zinc/89/17/55/526891755.db2.gz IZHYPRRHGKWZEK-CQSZACIVSA-N -1 3 308.809 2.536 20 10 DFCDHM Cn1cc([C@@H]2CN(Cc3c([O-])ccc4ccccc43)CCO2)cn1 ZINC000267599310 527303354 /nfs/dbraw/zinc/30/33/54/527303354.db2.gz MNNJVQYGWRYOSF-IBGZPJMESA-N -1 3 323.396 2.852 20 10 DFCDHM COCCOc1ncccc1CN[C@@H](C)c1cc(F)ccc1[O-] ZINC000273439462 536742927 /nfs/dbraw/zinc/74/29/27/536742927.db2.gz XZHZHRLRGAHUMQ-LBPRGKRZSA-N -1 3 320.364 2.802 20 10 DFCDHM CN(C)c1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1F ZINC000818391188 597135854 /nfs/dbraw/zinc/13/58/54/597135854.db2.gz WASXRSONOIMJHO-UHFFFAOYSA-N -1 3 302.349 2.880 20 10 DFCDHM CCOc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000820387602 598193473 /nfs/dbraw/zinc/19/34/73/598193473.db2.gz UTPLSQBYDZUSEJ-INIZCTEOSA-N -1 3 315.369 2.576 20 10 DFCDHM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000739501206 600433468 /nfs/dbraw/zinc/43/34/68/600433468.db2.gz UIFFCVNGJQDUQO-MRXNPFEDSA-N -1 3 301.317 2.676 20 10 DFCDHM Cc1cc(C)c(O)c(CN(C)c2ccccc2-c2nnn[n-]2)c1 ZINC000826263729 607847195 /nfs/dbraw/zinc/84/71/95/607847195.db2.gz OBNKMNXJAHZESE-UHFFFAOYSA-N -1 3 309.373 2.826 20 10 DFCDHM Cc1cc(C)c(O)c(CN(C)c2ccccc2-c2nn[n-]n2)c1 ZINC000826263729 607847196 /nfs/dbraw/zinc/84/71/96/607847196.db2.gz OBNKMNXJAHZESE-UHFFFAOYSA-N -1 3 309.373 2.826 20 10 DFCDHM CN(C)c1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000825879157 608872033 /nfs/dbraw/zinc/87/20/33/608872033.db2.gz ILMVEMRWSBOGDS-UHFFFAOYSA-N -1 3 312.352 2.684 20 10 DFCDHM CN(C)c1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000825879157 608872036 /nfs/dbraw/zinc/87/20/36/608872036.db2.gz ILMVEMRWSBOGDS-UHFFFAOYSA-N -1 3 312.352 2.684 20 10 DFCDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccccc1O ZINC000825631854 609476709 /nfs/dbraw/zinc/47/67/09/609476709.db2.gz HOSLJCKLDTYIJX-UHFFFAOYSA-N -1 3 311.345 2.583 20 10 DFCDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C)c1O ZINC000826186742 609483334 /nfs/dbraw/zinc/48/33/34/609483334.db2.gz JAMYIGGXSMAGHM-UHFFFAOYSA-N -1 3 311.345 2.501 20 10 DFCDHM Cc1cnc(CN(Cc2ccccc2[O-])C[C@H]2CCCO2)o1 ZINC000072629244 398626124 /nfs/dbraw/zinc/62/61/24/398626124.db2.gz WRGXYPCWYDIDQW-OAHLLOKOSA-N -1 3 302.374 2.870 20 10 DFCDHM O=c1nc(-c2ccc([O-])c(O)c2)[nH]c2sc3c(c21)CCCC3 ZINC000072591851 191199633 /nfs/dbraw/zinc/19/96/33/191199633.db2.gz LKVXCRTXGCXFHI-UHFFFAOYSA-N -1 3 314.366 2.942 20 10 DFCDHM CCCNC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184882020 283371043 /nfs/dbraw/zinc/37/10/43/283371043.db2.gz CGIPJFRTWJLQFV-QMMMGPOBSA-N -1 3 305.205 2.876 20 10 DFCDHM C[C@@H](N[C@@H](C)C(=O)NC(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187675388 296143635 /nfs/dbraw/zinc/14/36/35/296143635.db2.gz WRAPQLVDRXNQCV-BDAKNGLRSA-N -1 3 300.349 2.624 20 10 DFCDHM COC[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093337598 193234243 /nfs/dbraw/zinc/23/42/43/193234243.db2.gz ADASYQAIEYWZSP-JTQLQIEISA-N -1 3 314.769 2.812 20 10 DFCDHM CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000272215662 130008118 /nfs/dbraw/zinc/00/81/18/130008118.db2.gz BCNOCXYEAZDFOJ-ZDUSSCGKSA-N -1 3 308.397 2.658 20 10 DFCDHM Cc1nc(N2CCN(Cc3cccc(F)c3[O-])CC2)sc1C ZINC000272247637 130011581 /nfs/dbraw/zinc/01/15/81/130011581.db2.gz HQZRZYGEJZTTFL-UHFFFAOYSA-N -1 3 321.421 2.927 20 10 DFCDHM CC[C@@H]1CN(Cc2cccc(F)c2[O-])CCN1CC(F)F ZINC000272297432 130016696 /nfs/dbraw/zinc/01/66/96/130016696.db2.gz PBHUSWHVENDDRF-GFCCVEGCSA-N -1 3 302.340 2.693 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCCN(Cc2cscn2)CC1 ZINC000272323235 130020898 /nfs/dbraw/zinc/02/08/98/130020898.db2.gz UTEIKNWWYLGXOQ-UHFFFAOYSA-N -1 3 321.421 2.696 20 10 DFCDHM CC(=O)N1CCN(Cc2cc(F)ccc2[O-])CC12CCCCC2 ZINC000272446312 130031426 /nfs/dbraw/zinc/03/14/26/130031426.db2.gz PCLXGSVJJVXCCS-UHFFFAOYSA-N -1 3 320.408 2.898 20 10 DFCDHM C[C@H](NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303021 130105545 /nfs/dbraw/zinc/10/55/45/130105545.db2.gz BZLUUZDONBNGSC-JTQLQIEISA-N -1 3 316.313 2.880 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2ccccn2)c1 ZINC000273388811 130115958 /nfs/dbraw/zinc/11/59/58/130115958.db2.gz KECVBEWNBPFTPS-VXGBXAGGSA-N -1 3 300.358 2.986 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2cnn(C)c2C)c1 ZINC000273390367 130116286 /nfs/dbraw/zinc/11/62/86/130116286.db2.gz KOXNAUVPLJXVLN-QWRGUYRKSA-N -1 3 317.389 2.633 20 10 DFCDHM C[C@H](NCc1nccn1C)c1cc(Br)ccc1[O-] ZINC000273593473 130141723 /nfs/dbraw/zinc/14/17/23/130141723.db2.gz PYIHRCXMNPIICY-VIFPVBQESA-N -1 3 310.195 2.739 20 10 DFCDHM C[C@H](N[C@@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273617379 130145698 /nfs/dbraw/zinc/14/56/98/130145698.db2.gz XUGMKHTYPPYTID-NHYWBVRUSA-N -1 3 302.330 2.685 20 10 DFCDHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1cccc(O)c1[O-] ZINC000275094537 130291123 /nfs/dbraw/zinc/29/11/23/130291123.db2.gz HSCBAMFUXCEMDP-GFCCVEGCSA-N -1 3 305.374 2.710 20 10 DFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)[S@@]1=O ZINC000289586386 131398985 /nfs/dbraw/zinc/39/89/85/131398985.db2.gz KFCQISRZVWWTDW-BFKGZMGPSA-N -1 3 301.839 2.777 20 10 DFCDHM COc1c([O-])c(CN(C)Cc2occc2C)ccc1[N+](=O)[O-] ZINC000292728345 543017048 /nfs/dbraw/zinc/01/70/48/543017048.db2.gz GANGEVOWPTZYQY-UHFFFAOYSA-N -1 3 306.318 2.842 20 10 DFCDHM CCc1nc2n(n1)CCC[C@@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000293768780 543020694 /nfs/dbraw/zinc/02/06/94/543020694.db2.gz ZSERHRGRKFFBGV-LBPRGKRZSA-N -1 3 324.787 2.963 20 10 DFCDHM CCCN(Cc1nnc(C2CC2)n1C)Cc1ccccc1[O-] ZINC000068973565 425926018 /nfs/dbraw/zinc/92/60/18/425926018.db2.gz MXIJSFOQESSVJL-UHFFFAOYSA-N -1 3 300.406 2.810 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000157057606 425936993 /nfs/dbraw/zinc/93/69/93/425936993.db2.gz DLHATHBKODIFAC-QGZVFWFLSA-N -1 3 316.376 2.970 20 10 DFCDHM Cc1cc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)no1 ZINC000070976852 425979666 /nfs/dbraw/zinc/97/96/66/425979666.db2.gz CMKAKTOAGADHLC-INIZCTEOSA-N -1 3 302.374 2.870 20 10 DFCDHM C[C@@H](C(=O)NC1CCC(C)CC1)N(C)Cc1ccccc1[O-] ZINC000109769650 426032824 /nfs/dbraw/zinc/03/28/24/426032824.db2.gz CGOHPOCRGMNSEJ-BBBYJDLNSA-N -1 3 304.434 2.907 20 10 DFCDHM C[C@@H]1[C@H](C)OCCN1Cc1cc(Br)ccc1[O-] ZINC000093417624 426357062 /nfs/dbraw/zinc/35/70/62/426357062.db2.gz WWRNOWKQFJODBZ-ZJUUUORDSA-N -1 3 300.196 2.764 20 10 DFCDHM CC[C@H](NCC(F)(F)CO)c1cc(Br)ccc1[O-] ZINC000186420675 426522963 /nfs/dbraw/zinc/52/29/63/426522963.db2.gz VOASMUNPHBUXOO-JTQLQIEISA-N -1 3 324.165 2.823 20 10 DFCDHM COCCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1[O-] ZINC000177661004 426501798 /nfs/dbraw/zinc/50/17/98/426501798.db2.gz IEWANRNGGSWJTH-UHFFFAOYSA-N -1 3 315.369 2.695 20 10 DFCDHM CCC[C@H](NC(=O)c1cccc(O)c1[O-])[C@H](O)c1ccccc1 ZINC000280544364 426597064 /nfs/dbraw/zinc/59/70/64/426597064.db2.gz KNPSCRQAOQLUGV-GOEBONIOSA-N -1 3 315.369 2.730 20 10 DFCDHM C[C@H](NCc1cccc2c1OCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391052 426656223 /nfs/dbraw/zinc/65/62/23/426656223.db2.gz KQQBHNDAPWMMNN-JTQLQIEISA-N -1 3 316.313 2.880 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000289754135 426673232 /nfs/dbraw/zinc/67/32/32/426673232.db2.gz FNOFXKRUUFKPKB-OAHLLOKOSA-N -1 3 317.364 2.686 20 10 DFCDHM [O-]c1c(F)cccc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281890937 426785829 /nfs/dbraw/zinc/78/58/29/426785829.db2.gz YDBPLRWQUKSUHU-HOCLYGCPSA-N -1 3 305.324 2.978 20 10 DFCDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000179513208 426797167 /nfs/dbraw/zinc/79/71/67/426797167.db2.gz PQEAQDRTZVJRMO-QWHCGFSZSA-N -1 3 307.390 2.682 20 10 DFCDHM C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1[O-] ZINC000179555738 426800351 /nfs/dbraw/zinc/80/03/51/426800351.db2.gz UUXDIKHULRZGES-CYBMUJFWSA-N -1 3 319.426 2.989 20 10 DFCDHM COC(=O)C[C@H]1CSCCN1Cc1cccc(Cl)c1[O-] ZINC000180401758 426856704 /nfs/dbraw/zinc/85/67/04/426856704.db2.gz NIEGPURCTVNMQN-NSHDSACASA-N -1 3 315.822 2.526 20 10 DFCDHM C[C@@H](N[C@@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282491433 426915304 /nfs/dbraw/zinc/91/53/04/426915304.db2.gz RAWXMNOCVHDMJK-QMTHXVAHSA-N -1 3 316.361 2.762 20 10 DFCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](C)C1 ZINC000282247135 426862282 /nfs/dbraw/zinc/86/22/82/426862282.db2.gz JJJGIZXKQJBZKC-BXKDBHETSA-N -1 3 314.769 2.953 20 10 DFCDHM CCn1cc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040962 427055502 /nfs/dbraw/zinc/05/55/02/427055502.db2.gz UJHNDVIECNWVFE-VXGBXAGGSA-N -1 3 317.389 2.807 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)Cc2nncn2C(C)C)c1[O-] ZINC000292456081 427182764 /nfs/dbraw/zinc/18/27/64/427182764.db2.gz PYGUOGFGXDATIW-UHFFFAOYSA-N -1 3 320.368 2.538 20 10 DFCDHM CCC[C@H]1C[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277678168 427283876 /nfs/dbraw/zinc/28/38/76/427283876.db2.gz OLHSBPIBBPIXKB-GWCFXTLKSA-N -1 3 322.792 2.998 20 10 DFCDHM CC[C@H](C)c1nc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277511734 427226114 /nfs/dbraw/zinc/22/61/14/427226114.db2.gz WLXDSULEEUAGSY-VHSXEESVSA-N -1 3 319.365 2.783 20 10 DFCDHM COc1c([O-])c(C[N@H+](C)Cc2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000278192417 427423856 /nfs/dbraw/zinc/42/38/56/427423856.db2.gz IEVAASASINJVCL-UHFFFAOYSA-N -1 3 318.329 2.647 20 10 DFCDHM COc1c([O-])c(C[N@@H+](C)Cc2ccccc2[O-])ccc1[N+](=O)[O-] ZINC000278192417 427423864 /nfs/dbraw/zinc/42/38/64/427423864.db2.gz IEVAASASINJVCL-UHFFFAOYSA-N -1 3 318.329 2.647 20 10 DFCDHM COc1c([O-])c(CN2CC[C@@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278616552 427447207 /nfs/dbraw/zinc/44/72/07/427447207.db2.gz FHEFAMMLRIWQOC-CYBMUJFWSA-N -1 3 324.377 2.556 20 10 DFCDHM Cc1ccc(C(=O)N2Cc3ccccc3O[C@H](C)C2)c([O-])c1O ZINC000293970514 427506747 /nfs/dbraw/zinc/50/67/47/427506747.db2.gz UQTMEZKSMPUFFQ-GFCCVEGCSA-N -1 3 313.353 2.830 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(Cn2ccnn2)CC1 ZINC000294291104 427612297 /nfs/dbraw/zinc/61/22/97/427612297.db2.gz PMAAZORGCUHJLF-UHFFFAOYSA-N -1 3 324.787 2.688 20 10 DFCDHM CN(C)c1ccc(CNCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000294356327 427635610 /nfs/dbraw/zinc/63/56/10/427635610.db2.gz SWLPHIXCZVEQJU-UHFFFAOYSA-N -1 3 309.772 2.936 20 10 DFCDHM CC(C)CCOC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000192986115 427647842 /nfs/dbraw/zinc/64/78/42/427647842.db2.gz VFPCMLWSDGMUTD-UHFFFAOYSA-N -1 3 307.390 2.765 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(Cn2cncn2)CC1 ZINC000294851901 427659921 /nfs/dbraw/zinc/65/99/21/427659921.db2.gz ZYHXJEVSROVNIK-UHFFFAOYSA-N -1 3 324.787 2.688 20 10 DFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2ccsc2)O1 ZINC000193133665 427671118 /nfs/dbraw/zinc/67/11/18/427671118.db2.gz BJWUMNFYQFJEDO-YGRLFVJLSA-N -1 3 319.382 2.762 20 10 DFCDHM [O-]c1c(Cl)cc(Cl)cc1CNCc1n[nH]c(C2CC2)n1 ZINC000294928148 427667671 /nfs/dbraw/zinc/66/76/71/427667671.db2.gz ZIMRROJHQAVQHV-UHFFFAOYSA-N -1 3 313.188 2.984 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000279831185 427719702 /nfs/dbraw/zinc/71/97/02/427719702.db2.gz QZSOFEMPXKRLJX-XHDPSFHLSA-N -1 3 309.381 2.859 20 10 DFCDHM O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)c1cccc(O)c1[O-] ZINC000370009365 428109415 /nfs/dbraw/zinc/10/94/15/428109415.db2.gz PWYBHPHRLRXNPO-AULYBMBSSA-N -1 3 301.317 2.913 20 10 DFCDHM Cc1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)c([O-])c1O ZINC000370357018 428191227 /nfs/dbraw/zinc/19/12/27/428191227.db2.gz HBPFKUCTFLAEDJ-OAHLLOKOSA-N -1 3 313.353 2.620 20 10 DFCDHM O=C(N[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1)C1CCC1 ZINC000371416508 428390153 /nfs/dbraw/zinc/39/01/53/428390153.db2.gz HLLNKFPHGHPVHH-CYBMUJFWSA-N -1 3 308.809 2.536 20 10 DFCDHM CCCC(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000372429623 428446477 /nfs/dbraw/zinc/44/64/77/428446477.db2.gz YBJJBSIKYMJMKP-UHFFFAOYSA-N -1 3 310.825 2.880 20 10 DFCDHM O=C([C@H]1CCCCN1Cc1cc(F)ccc1[O-])N1CCCC1 ZINC000361049385 428533303 /nfs/dbraw/zinc/53/33/03/428533303.db2.gz CMILEFZMKBBEHW-OAHLLOKOSA-N -1 3 306.381 2.508 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000373710722 428637896 /nfs/dbraw/zinc/63/78/96/428637896.db2.gz ZZOOFWDDJNQLJS-LSDHHAIUSA-N -1 3 323.820 2.924 20 10 DFCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373979276 428658120 /nfs/dbraw/zinc/65/81/20/428658120.db2.gz WDZFPLGGDDAATK-XNJGSVPQSA-N -1 3 309.381 2.690 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000374354399 428677017 /nfs/dbraw/zinc/67/70/17/428677017.db2.gz FBWUFSLLTJSRRX-CQSZACIVSA-N -1 3 321.392 2.982 20 10 DFCDHM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cc(F)ccc2[O-])C1 ZINC000374760229 428746461 /nfs/dbraw/zinc/74/64/61/428746461.db2.gz LUEDXDJJMSFPNA-MRXNPFEDSA-N -1 3 314.360 2.599 20 10 DFCDHM NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(Cl)ccc1[O-] ZINC000362614152 428794970 /nfs/dbraw/zinc/79/49/70/428794970.db2.gz DSSMRVAAXQFCDP-SWHYSGLUSA-N -1 3 308.809 2.664 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCO[C@@H](c2nncn2CC)C1 ZINC000365524452 429335048 /nfs/dbraw/zinc/33/50/48/429335048.db2.gz ANBZNZZTVALIOT-GDBMZVCRSA-N -1 3 316.405 2.528 20 10 DFCDHM O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)c1cccc(O)c1[O-] ZINC000365759486 429368913 /nfs/dbraw/zinc/36/89/13/429368913.db2.gz TUWVSNOPFQJZDS-XJKSGUPXSA-N -1 3 313.353 2.605 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC000367457446 429651279 /nfs/dbraw/zinc/65/12/79/429651279.db2.gz GMVWCRDMSDNXJU-JKSUJKDBSA-N -1 3 307.365 2.877 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000367535153 429667435 /nfs/dbraw/zinc/66/74/35/429667435.db2.gz DQLMSDCMXORBAA-CQSZACIVSA-N -1 3 312.866 2.669 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000128203523 332010732 /nfs/dbraw/zinc/01/07/32/332010732.db2.gz RGGIDXCLQGTJDU-RDTXWAMCSA-N -1 3 321.392 2.861 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@H](Cc3ccncc3)C2)c([O-])c1O ZINC000363680024 332218209 /nfs/dbraw/zinc/21/82/09/332218209.db2.gz XCKCATXVXKYEIL-CQSZACIVSA-N -1 3 312.369 2.506 20 10 DFCDHM O=C(/C=C/c1cncc([O-])c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492524010 333302009 /nfs/dbraw/zinc/30/20/09/333302009.db2.gz ZBRNRXMNAVTBEI-KIUWMYQTSA-N -1 3 321.380 2.816 20 10 DFCDHM O=C(/C=C\c1cncc([O-])c1)N1C[C@@H]2CCCN2c2ccccc21 ZINC000492524011 333302042 /nfs/dbraw/zinc/30/20/42/333302042.db2.gz ZBRNRXMNAVTBEI-LZNQSLFOSA-N -1 3 321.380 2.816 20 10 DFCDHM COC(=O)C[C@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000295396132 335133700 /nfs/dbraw/zinc/13/37/00/335133700.db2.gz QHADSRZMEZZJAT-SNVBAGLBSA-N -1 3 301.745 2.712 20 10 DFCDHM COC(=O)[C@]1(C)CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000295440676 335134931 /nfs/dbraw/zinc/13/49/31/335134931.db2.gz UNPJUSAOAKHDBY-CQSZACIVSA-N -1 3 301.745 2.570 20 10 DFCDHM COc1c([O-])c(CN2CC(C)(C)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000278404491 334096081 /nfs/dbraw/zinc/09/60/81/334096081.db2.gz OUXJJZCSGBAPOA-UHFFFAOYSA-N -1 3 324.377 2.698 20 10 DFCDHM Cc1ccc(C(=O)NC2CCC3(CCOCC3)CC2)c([O-])c1O ZINC000367891236 336831689 /nfs/dbraw/zinc/83/16/89/336831689.db2.gz GHYXUXCPGOWELE-UHFFFAOYSA-N -1 3 319.401 2.875 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@]3(CCCCO3)C2)c([O-])c1O ZINC000373143336 336949762 /nfs/dbraw/zinc/94/97/62/336949762.db2.gz DSNPSQNNIFEULC-KRWDZBQOSA-N -1 3 305.374 2.582 20 10 DFCDHM Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)CCO3)c([O-])c1O ZINC000373259638 336954630 /nfs/dbraw/zinc/95/46/30/336954630.db2.gz WLIAUGXAHHFSOM-UHFFFAOYSA-N -1 3 313.309 2.624 20 10 DFCDHM Cn1cc([C@@H]2CSCCN2Cc2cccc(F)c2[O-])cn1 ZINC000375462824 337011701 /nfs/dbraw/zinc/01/17/01/337011701.db2.gz UKFXLCFRJJMEFL-AWEZNQCLSA-N -1 3 307.394 2.555 20 10 DFCDHM C[C@]1(c2cccs2)C[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000375670112 337016155 /nfs/dbraw/zinc/01/61/55/337016155.db2.gz ZPCOETIGDPODAT-HWPZZCPQSA-N -1 3 303.383 2.867 20 10 DFCDHM C[C@@]1(c2cccs2)C[C@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000375670113 337016165 /nfs/dbraw/zinc/01/61/65/337016165.db2.gz ZPCOETIGDPODAT-MGPLVRAMSA-N -1 3 303.383 2.867 20 10 DFCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])c2ccccc2C(=O)N1 ZINC000378131058 337066984 /nfs/dbraw/zinc/06/69/84/337066984.db2.gz NZGRTZHKISPQPO-LLVKDONJSA-N -1 3 300.333 2.670 20 10 DFCDHM CO[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000378631927 337077000 /nfs/dbraw/zinc/07/70/00/337077000.db2.gz ITGHTHKHXANXQB-GFCCVEGCSA-N -1 3 314.769 2.955 20 10 DFCDHM [O-]c1ccccc1CN1CCn2c(nnc2-c2ccccc2)C1 ZINC000179583962 337170382 /nfs/dbraw/zinc/17/03/82/337170382.db2.gz ZFPCJEWYECBBRO-UHFFFAOYSA-N -1 3 306.369 2.667 20 10 DFCDHM COCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(C)cc1[O-] ZINC000185775648 337251251 /nfs/dbraw/zinc/25/12/51/337251251.db2.gz BOCNWAHSKZLNBY-TZMCWYRMSA-N -1 3 316.405 2.624 20 10 DFCDHM Cn1ccnc1-c1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000186973434 337261936 /nfs/dbraw/zinc/26/19/36/337261936.db2.gz PPRSCHSYRBRLAU-UHFFFAOYSA-N -1 3 309.325 2.751 20 10 DFCDHM CO[C@@H]1C[C@H](c2nc(C)no2)N(Cc2cc(Cl)ccc2[O-])C1 ZINC000190146172 337285170 /nfs/dbraw/zinc/28/51/70/337285170.db2.gz ONWNNEPQVKQBPW-CHWSQXEVSA-N -1 3 323.780 2.699 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1Cc2ccccc2[C@H]1O ZINC000191086251 337293717 /nfs/dbraw/zinc/29/37/17/337293717.db2.gz ZFBUDFLKNVWLKO-CZUORRHYSA-N -1 3 307.752 2.933 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000528277256 337799507 /nfs/dbraw/zinc/79/95/07/337799507.db2.gz PGWPXKFDIWCBHF-RZGXBDKHSA-N -1 3 312.797 2.657 20 10 DFCDHM O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000193164594 501063105 /nfs/dbraw/zinc/06/31/05/501063105.db2.gz RHSJFYSQFPTWGS-CJNGLKHVSA-N -1 3 313.353 2.748 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2noc(C)n2)c1[O-] ZINC000364207105 518284517 /nfs/dbraw/zinc/28/45/17/518284517.db2.gz IZPBKBYCGIHIQW-CQSZACIVSA-N -1 3 319.336 2.762 20 10 DFCDHM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000179915869 518837795 /nfs/dbraw/zinc/83/77/95/518837795.db2.gz PRZXKLFVJXDYFH-CYBMUJFWSA-N -1 3 310.369 2.630 20 10 DFCDHM CCOC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179930338 520937474 /nfs/dbraw/zinc/93/74/74/520937474.db2.gz LBDILVZUVZKHEJ-UHFFFAOYSA-N -1 3 312.797 2.710 20 10 DFCDHM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1O ZINC000182476653 525288493 /nfs/dbraw/zinc/28/84/93/525288493.db2.gz AXNSVTOQLSOFOC-NSHDSACASA-N -1 3 319.382 2.825 20 10 DFCDHM Cc1csc([C@H]2CN(Cc3cc(F)ccc3[O-])CCO2)n1 ZINC000180035074 526445448 /nfs/dbraw/zinc/44/54/48/526445448.db2.gz CQZALPOQEJJBNT-CQSZACIVSA-N -1 3 308.378 2.870 20 10 DFCDHM O=C(c1ccco1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000158482806 526831185 /nfs/dbraw/zinc/83/11/85/526831185.db2.gz KTUROYBFEXWSLI-UHFFFAOYSA-N -1 3 320.776 2.597 20 10 DFCDHM O=C(NC1CCC2(CCOCC2)CC1)c1cccc(O)c1[O-] ZINC000365098585 527504526 /nfs/dbraw/zinc/50/45/26/527504526.db2.gz IUZYGEIDGXODQA-UHFFFAOYSA-N -1 3 305.374 2.567 20 10 DFCDHM CCC[C@@]1(CO)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000288715903 535564343 /nfs/dbraw/zinc/56/43/43/535564343.db2.gz FOPGTYVBCLWPMJ-QGZVFWFLSA-N -1 3 309.381 2.718 20 10 DFCDHM CC[C@H](N[C@H](CO)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287823200 535944507 /nfs/dbraw/zinc/94/45/07/535944507.db2.gz VICCQTWFFFQDHR-UONOGXRCSA-N -1 3 309.797 2.553 20 10 DFCDHM COc1ccc([C@@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])cc1 ZINC000737972388 600313031 /nfs/dbraw/zinc/31/30/31/600313031.db2.gz VUPQKZVFGMTOLK-QGZVFWFLSA-N -1 3 313.353 2.546 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000834105759 605562986 /nfs/dbraw/zinc/56/29/86/605562986.db2.gz INWPHVDPNYFPPW-OAHLLOKOSA-N -1 3 322.380 2.886 20 10 DFCDHM Oc1ccccc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000826511387 608377002 /nfs/dbraw/zinc/37/70/02/608377002.db2.gz NHVDKBCJGJOQFG-UHFFFAOYSA-N -1 3 318.340 2.733 20 10 DFCDHM Oc1ccccc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000826511387 608377004 /nfs/dbraw/zinc/37/70/04/608377004.db2.gz NHVDKBCJGJOQFG-UHFFFAOYSA-N -1 3 318.340 2.733 20 10 DFCDHM CCCOc1ccc(CN2CCN(CC(F)F)CC2)c([O-])c1 ZINC000092586703 185327530 /nfs/dbraw/zinc/32/75/30/185327530.db2.gz MTLUUZUUGXGIAM-UHFFFAOYSA-N -1 3 314.376 2.564 20 10 DFCDHM CC[C@@H](O)[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079434320 399043350 /nfs/dbraw/zinc/04/33/50/399043350.db2.gz YUTLSLNBRFLLGA-JKSUJKDBSA-N -1 3 309.381 2.859 20 10 DFCDHM CC[C@H](O)[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000079434322 399043468 /nfs/dbraw/zinc/04/34/68/399043468.db2.gz YUTLSLNBRFLLGA-CVEARBPZSA-N -1 3 309.381 2.859 20 10 DFCDHM CCCOc1ccc(CN(CCOC)CC(F)F)c([O-])c1 ZINC000092966244 193189281 /nfs/dbraw/zinc/18/92/81/193189281.db2.gz ZDXOLNDTAFJBDN-UHFFFAOYSA-N -1 3 303.349 2.895 20 10 DFCDHM CNC(=O)[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000093360896 193238805 /nfs/dbraw/zinc/23/88/05/193238805.db2.gz BAUAZDGGKCDNDI-SECBINFHSA-N -1 3 317.216 2.657 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366811531 335019394 /nfs/dbraw/zinc/01/93/94/335019394.db2.gz RAPPCNYAZHFOEM-XNJGSVPQSA-N -1 3 309.381 2.690 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C)c2cn(C)nc2C)c1 ZINC000273607271 130143069 /nfs/dbraw/zinc/14/30/69/130143069.db2.gz UNUMNRHYCVBRSF-GHMZBOCLSA-N -1 3 317.389 2.633 20 10 DFCDHM CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1cccc(F)c1[O-] ZINC000284522128 131088252 /nfs/dbraw/zinc/08/82/52/131088252.db2.gz DXFDLVMSOCDZAS-VNQPRFMTSA-N -1 3 309.381 2.547 20 10 DFCDHM CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cccc(F)c1[O-] ZINC000284522118 131088500 /nfs/dbraw/zinc/08/85/00/131088500.db2.gz DXFDLVMSOCDZAS-CWRNSKLLSA-N -1 3 309.381 2.547 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2nc(C)no2)c1[O-] ZINC000285793580 131202347 /nfs/dbraw/zinc/20/23/47/131202347.db2.gz UWAKMWJYWRVRPD-CQSZACIVSA-N -1 3 319.336 2.762 20 10 DFCDHM CCCCN(Cc1noc(CCOC)n1)Cc1ccccc1[O-] ZINC000289484000 131389489 /nfs/dbraw/zinc/38/94/89/131389489.db2.gz YGNAFDFIXCARHY-UHFFFAOYSA-N -1 3 319.405 2.766 20 10 DFCDHM Cc1cccc(OC[C@@H](O)CNCc2c([O-])cccc2Cl)c1 ZINC000113327769 426113285 /nfs/dbraw/zinc/11/32/85/426113285.db2.gz OATSOSGVWUUNFQ-ZDUSSCGKSA-N -1 3 321.804 2.884 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@H]1C1CC1 ZINC000093645152 426358507 /nfs/dbraw/zinc/35/85/07/426358507.db2.gz ZSLPYIIICOUJOJ-ZDUSSCGKSA-N -1 3 312.207 2.766 20 10 DFCDHM CCc1oc(C(=O)OC)cc1CN(C)Cc1ccccc1[O-] ZINC000177153992 426448393 /nfs/dbraw/zinc/44/83/93/426448393.db2.gz JCGUWQPOIHAENI-UHFFFAOYSA-N -1 3 303.358 2.966 20 10 DFCDHM O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000186843831 426597892 /nfs/dbraw/zinc/59/78/92/426597892.db2.gz YFJVJOQXCGCGKX-DTWKUNHWSA-N -1 3 303.280 2.949 20 10 DFCDHM COc1c([O-])c(CN2CCCc3occc3C2)ccc1[N+](=O)[O-] ZINC000290161294 426705921 /nfs/dbraw/zinc/70/59/21/426705921.db2.gz LWPNQZIICXRRLA-UHFFFAOYSA-N -1 3 318.329 2.850 20 10 DFCDHM CS(=O)(=O)[C@@H]1CCCN(Cc2c([O-])ccc3ccccc32)C1 ZINC000273989199 426715731 /nfs/dbraw/zinc/71/57/31/426715731.db2.gz WHXKJMGQGIPSCY-CQSZACIVSA-N -1 3 319.426 2.554 20 10 DFCDHM CCCCN(CCS(=O)(=O)CCC)Cc1ccccc1[O-] ZINC000282328442 426884712 /nfs/dbraw/zinc/88/47/12/426884712.db2.gz ASCPMWSDYPQYMN-UHFFFAOYSA-N -1 3 313.463 2.819 20 10 DFCDHM COCCn1cc(CN[C@H](C)c2cc(Cl)ccc2[O-])cn1 ZINC000282735472 426925349 /nfs/dbraw/zinc/92/53/49/426925349.db2.gz MWICQOOZQKATFL-LLVKDONJSA-N -1 3 309.797 2.739 20 10 DFCDHM Cn1cnnc1C1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295321294 426907290 /nfs/dbraw/zinc/90/72/90/426907290.db2.gz LIEXQGUTIBSDSE-UHFFFAOYSA-N -1 3 324.787 2.693 20 10 DFCDHM CCc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1[O-] ZINC000291715746 426962120 /nfs/dbraw/zinc/96/21/20/426962120.db2.gz QINUEDLITQCBGR-LLVKDONJSA-N -1 3 315.369 2.727 20 10 DFCDHM C[C@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000296122453 427083280 /nfs/dbraw/zinc/08/32/80/427083280.db2.gz OIWOXXBWGJWPBD-DTWKUNHWSA-N -1 3 303.280 2.901 20 10 DFCDHM Cc1ccc(C(=O)N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c([O-])c1O ZINC000292466468 427183052 /nfs/dbraw/zinc/18/30/52/427183052.db2.gz MGQZYPMWOSFAMU-BBRMVZONSA-N -1 3 317.385 2.580 20 10 DFCDHM COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(F)ccc1[O-] ZINC000183244255 427231730 /nfs/dbraw/zinc/23/17/30/427231730.db2.gz LVHWBJWGJGIXRG-MRXNPFEDSA-N -1 3 315.344 2.631 20 10 DFCDHM CC1(CO)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000184072418 427387942 /nfs/dbraw/zinc/38/79/42/427387942.db2.gz MOJJMCJUPZRFES-UHFFFAOYSA-N -1 3 314.769 2.548 20 10 DFCDHM C[C@H](NCc1nnc2n1CCCC2)c1cc(Cl)ccc1[O-] ZINC000183867602 427355022 /nfs/dbraw/zinc/35/50/22/427355022.db2.gz XUIJGTWKHXLYLP-JTQLQIEISA-N -1 3 306.797 2.824 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOCC23CCCC3)c1[O-] ZINC000270663028 427363204 /nfs/dbraw/zinc/36/32/04/427363204.db2.gz QTZFKHMKGGGAKE-UHFFFAOYSA-N -1 3 307.365 2.879 20 10 DFCDHM CCCOc1ccc(CN[C@@H](CCO)c2ccco2)c([O-])c1 ZINC000184504070 427472987 /nfs/dbraw/zinc/47/29/87/427472987.db2.gz UYEPHIHLTKVXDA-HNNXBMFYSA-N -1 3 305.374 2.987 20 10 DFCDHM CN(C)c1cccnc1CNCc1cc(Cl)c(F)cc1[O-] ZINC000294090083 427545632 /nfs/dbraw/zinc/54/56/32/427545632.db2.gz ZNOKRGIKIJQXTF-UHFFFAOYSA-N -1 3 309.772 2.936 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)[C@@H](C)[C@@H]2C)c1[O-] ZINC000271903976 427593806 /nfs/dbraw/zinc/59/38/06/427593806.db2.gz ZXRLOBMQAXPAED-ADWYPQAOSA-N -1 3 301.839 2.695 20 10 DFCDHM Cc1ccc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])c(=O)n1C ZINC000279440378 427671826 /nfs/dbraw/zinc/67/18/26/427671826.db2.gz HJMQYYPHLIMUBK-JTQLQIEISA-N -1 3 308.328 2.528 20 10 DFCDHM CC(=O)NC[C@H]1CCCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000294931279 427667466 /nfs/dbraw/zinc/66/74/66/427667466.db2.gz OVZLQQAEANYHKV-LLVKDONJSA-N -1 3 314.788 2.533 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c([O-])c1 ZINC000279615282 427712775 /nfs/dbraw/zinc/71/27/75/427712775.db2.gz GCPPEIVLPKDBEG-KSSFIOAISA-N -1 3 321.417 2.561 20 10 DFCDHM COC(=O)[C@H](C)NCc1ccc(OCc2ccccc2)cc1[O-] ZINC000279965481 427727313 /nfs/dbraw/zinc/72/73/13/427727313.db2.gz PLOUSXWCFVORGG-ZDUSSCGKSA-N -1 3 315.369 2.622 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)NCc1ncccc1[O-] ZINC000350038220 427926875 /nfs/dbraw/zinc/92/68/75/427926875.db2.gz ZPSAMAWNMDUUMU-UHFFFAOYSA-N -1 3 324.384 2.587 20 10 DFCDHM Cc1noc(C)c1CO[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000370731676 428287238 /nfs/dbraw/zinc/28/72/38/428287238.db2.gz ZAZFXMJJGCPUJK-AWEZNQCLSA-N -1 3 320.364 2.927 20 10 DFCDHM CCc1nc([C@@H]2CCCN(Cc3cccc(F)c3[O-])C2)no1 ZINC000361054239 428532160 /nfs/dbraw/zinc/53/21/60/428532160.db2.gz UNTVEYOGIZPJRX-GFCCVEGCSA-N -1 3 305.353 2.856 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCN([C@H]2CCSC2)CC1 ZINC000362047339 428613659 /nfs/dbraw/zinc/61/36/59/428613659.db2.gz RARSVUYBAJZJGW-ZDUSSCGKSA-N -1 3 312.866 2.669 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000374412918 428679376 /nfs/dbraw/zinc/67/93/76/428679376.db2.gz WGUKKCVFKJHYEM-QWHCGFSZSA-N -1 3 307.365 2.592 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@@](F)(c2ccccc2)C1 ZINC000374793126 428753622 /nfs/dbraw/zinc/75/36/22/428753622.db2.gz KDYUDAHPTBZLOK-KRWDZBQOSA-N -1 3 301.317 2.809 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(Cn2cncn2)CC1 ZINC000365268409 429290699 /nfs/dbraw/zinc/29/06/99/429290699.db2.gz QPUBNQFSCSQFGX-UHFFFAOYSA-N -1 3 324.787 2.688 20 10 DFCDHM Cc1ccc(C(=O)N2CCOc3cccc(F)c3C2)c([O-])c1O ZINC000367297370 429615795 /nfs/dbraw/zinc/61/57/95/429615795.db2.gz ANBQRONGZNINJD-UHFFFAOYSA-N -1 3 317.316 2.580 20 10 DFCDHM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1cc(F)ccc1[O-] ZINC000368120347 429791814 /nfs/dbraw/zinc/79/18/14/429791814.db2.gz ONPDHLZVHRXXGQ-QGZVFWFLSA-N -1 3 314.360 2.513 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])c2cc(F)ccc2C(=O)N1 ZINC000368221331 429811015 /nfs/dbraw/zinc/81/10/15/429811015.db2.gz GGXHUFFQHFUQCM-SNVBAGLBSA-N -1 3 318.323 2.809 20 10 DFCDHM C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000366463082 300270800 /nfs/dbraw/zinc/27/08/00/300270800.db2.gz NVATURXSMPEAHV-BLLLJJGKSA-N -1 3 311.809 2.816 20 10 DFCDHM Cn1ccnc1[C@H](NCc1cccc(Cl)c1[O-])C(C)(C)CO ZINC000295114490 335132181 /nfs/dbraw/zinc/13/21/81/335132181.db2.gz VMEMNYUGUOZXKP-AWEZNQCLSA-N -1 3 323.824 2.629 20 10 DFCDHM CCC1(O)CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000267411503 333983119 /nfs/dbraw/zinc/98/31/19/333983119.db2.gz UEOXGXPMORQIBS-UHFFFAOYSA-N -1 3 311.809 2.985 20 10 DFCDHM CC[C@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272267331 334032234 /nfs/dbraw/zinc/03/22/34/334032234.db2.gz RJQWGRKIMWLZPJ-JTQLQIEISA-N -1 3 313.781 2.593 20 10 DFCDHM CN(Cc1cccc(F)c1[O-])C[C@H]1COc2ccccc2O1 ZINC000272340853 334033754 /nfs/dbraw/zinc/03/37/54/334033754.db2.gz YORQAPABHNEXCT-ZDUSSCGKSA-N -1 3 303.333 2.803 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2ccc(CCO)cc2)c1 ZINC000273459282 334047004 /nfs/dbraw/zinc/04/70/04/334047004.db2.gz HTPWULOIBXAQAC-GFCCVEGCSA-N -1 3 315.369 2.887 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)c1[O-] ZINC000279243818 334107038 /nfs/dbraw/zinc/10/70/38/334107038.db2.gz GHQDZHPPSHHPPX-QFYYESIMSA-N -1 3 307.365 2.733 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1csc(=O)[n-]1 ZINC000352111119 336195323 /nfs/dbraw/zinc/19/53/23/336195323.db2.gz IYGVHRDEUBVCAU-UHFFFAOYSA-N -1 3 301.371 2.579 20 10 DFCDHM C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000373830294 336974171 /nfs/dbraw/zinc/97/41/71/336974171.db2.gz XQSDAYDNLGFXQB-MEDUHNTESA-N -1 3 313.353 2.562 20 10 DFCDHM C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1cccc(O)c1[O-] ZINC000373830292 336974176 /nfs/dbraw/zinc/97/41/76/336974176.db2.gz XQSDAYDNLGFXQB-BDJLRTHQSA-N -1 3 313.353 2.562 20 10 DFCDHM Cc1nc([C@@H]2CN(Cc3cc(Cl)cc(C)c3[O-])CCO2)no1 ZINC000375017084 337001689 /nfs/dbraw/zinc/00/16/89/337001689.db2.gz GNWWXJCRWSBSAY-ZDUSSCGKSA-N -1 3 323.780 2.619 20 10 DFCDHM COCCn1ncc2c1[C@@H](NCc1cccc(F)c1[O-])CCC2 ZINC000375208754 337005874 /nfs/dbraw/zinc/00/58/74/337005874.db2.gz SHYFWJPPUYLFQI-HNNXBMFYSA-N -1 3 319.380 2.541 20 10 DFCDHM C[C@@]1(c2cccs2)C[C@@H]1CNC(=O)c1cccc(O)c1[O-] ZINC000375670115 337016118 /nfs/dbraw/zinc/01/61/18/337016118.db2.gz ZPCOETIGDPODAT-QLJPJBMISA-N -1 3 303.383 2.867 20 10 DFCDHM CC1(C)CN(Cc2cccc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000376022068 337025498 /nfs/dbraw/zinc/02/54/98/337025498.db2.gz RDEWJIUZGGTFCF-INIZCTEOSA-N -1 3 311.809 2.816 20 10 DFCDHM C[C@@H](NC(=O)c1cccc(O)c1[O-])c1nccn1-c1ccccc1 ZINC000377088460 337046627 /nfs/dbraw/zinc/04/66/27/337046627.db2.gz JEZKCILQZINJAJ-GFCCVEGCSA-N -1 3 323.352 2.775 20 10 DFCDHM CCc1nnc([C@@H]2CN([C@@H](CC)c3ccccc3[O-])CCO2)o1 ZINC000377669254 337058013 /nfs/dbraw/zinc/05/80/13/337058013.db2.gz DINLEWHDXMJCEF-ZFWWWQNUSA-N -1 3 317.389 2.862 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c([O-])c1O ZINC000179500147 337169829 /nfs/dbraw/zinc/16/98/29/337169829.db2.gz GQVSMPVTMAJQSW-LLVKDONJSA-N -1 3 318.398 2.883 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@@H](NCc2cc[nH]n2)C1 ZINC000113359145 337390984 /nfs/dbraw/zinc/39/09/84/337390984.db2.gz DUSCTXFXAXCTOJ-OAHLLOKOSA-N -1 3 320.824 2.523 20 10 DFCDHM CCN(C(C)=O)c1nc(CNCc2ccccc2[O-])cs1 ZINC000134682257 341221773 /nfs/dbraw/zinc/22/17/73/341221773.db2.gz LVWBNZKXJBHZLI-UHFFFAOYSA-N -1 3 305.403 2.511 20 10 DFCDHM CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000276403050 341656314 /nfs/dbraw/zinc/65/63/14/341656314.db2.gz WXNHNXIGMZOZDW-SNVBAGLBSA-N -1 3 303.280 2.901 20 10 DFCDHM CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158078860 519875536 /nfs/dbraw/zinc/87/55/36/519875536.db2.gz JKLRHMQILUVXBP-CQSZACIVSA-N -1 3 310.825 2.926 20 10 DFCDHM CCCC(=O)N[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000124283738 519876671 /nfs/dbraw/zinc/87/66/71/519876671.db2.gz QAYIBEUQLPJGGB-LBPRGKRZSA-N -1 3 310.825 2.926 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H](CCCO)c2ccccc2)c([O-])c1O ZINC000182821094 526197381 /nfs/dbraw/zinc/19/73/81/526197381.db2.gz YBSAIXOSPJRSQL-HNNXBMFYSA-N -1 3 315.369 2.650 20 10 DFCDHM CC(C)(NCc1cccc(F)c1[O-])C(=O)NCC1CCCC1 ZINC000272353552 535250167 /nfs/dbraw/zinc/25/01/67/535250167.db2.gz DJIIKQPWXNDNAJ-UHFFFAOYSA-N -1 3 308.397 2.706 20 10 DFCDHM CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cc(F)ccc1[O-] ZINC000284733065 536623872 /nfs/dbraw/zinc/62/38/72/536623872.db2.gz UAEZQKGGGXQONO-BFYDXBDKSA-N -1 3 309.381 2.547 20 10 DFCDHM COc1ccc(-c2nn[n-]n2)cc1CSc1nccs1 ZINC000821752671 607379035 /nfs/dbraw/zinc/37/90/35/607379035.db2.gz QGUSGROCOMDQQX-UHFFFAOYSA-N -1 3 305.388 2.624 20 10 DFCDHM C[C@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000736812296 600371901 /nfs/dbraw/zinc/37/19/01/600371901.db2.gz VNLGTBDSDNQWFS-RYUDHWBXSA-N -1 3 315.369 2.853 20 10 DFCDHM CN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCN(C(=O)[O-])C1 ZINC000828345949 603595178 /nfs/dbraw/zinc/59/51/78/603595178.db2.gz NBOQLFICONSZHW-ZDUSSCGKSA-N -1 3 322.405 2.579 20 10 DFCDHM COc1ccc(O)c([C@@H](C)NCc2cc(C)c(C(=O)[O-])o2)c1 ZINC000833733967 605127893 /nfs/dbraw/zinc/12/78/93/605127893.db2.gz XAAHWXQETZYBIX-SNVBAGLBSA-N -1 3 305.330 2.851 20 10 DFCDHM O=C([O-])N[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000834191135 605570417 /nfs/dbraw/zinc/57/04/17/605570417.db2.gz ZIRLGJLPZZEEER-HNNXBMFYSA-N -1 3 303.406 2.519 20 10 DFCDHM O=C([O-])N(CC1CC1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000834062753 605584861 /nfs/dbraw/zinc/58/48/61/605584861.db2.gz NCZGBYBQRJGCOC-UHFFFAOYSA-N -1 3 322.380 2.886 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)CC(=O)OC(C)(C)C)c1[O-] ZINC000079409299 185169617 /nfs/dbraw/zinc/16/96/17/185169617.db2.gz ASOIFOZZODTPHK-UHFFFAOYSA-N -1 3 311.353 2.507 20 10 DFCDHM C[C@H](NCc1cccc(N(C)C)n1)c1ccc(F)c(F)c1[O-] ZINC000187806581 299323515 /nfs/dbraw/zinc/32/35/15/299323515.db2.gz LZOLYSOVVMOGII-JTQLQIEISA-N -1 3 307.344 2.982 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@@H]2CCc3c2cccc3O)c1 ZINC000105486825 194106661 /nfs/dbraw/zinc/10/66/61/194106661.db2.gz OGJUDXZXRGIFEH-CQSZACIVSA-N -1 3 300.314 2.783 20 10 DFCDHM O=C(c1ccsc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272209708 130007379 /nfs/dbraw/zinc/00/73/79/130007379.db2.gz ACKXDHVUEDULGO-UHFFFAOYSA-N -1 3 320.389 2.551 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCCN(c2nccs2)CC1 ZINC000272287704 130015154 /nfs/dbraw/zinc/01/51/54/130015154.db2.gz NPCUXLAHRVPQJW-UHFFFAOYSA-N -1 3 307.394 2.700 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c([O-])c1O ZINC000272921593 130075520 /nfs/dbraw/zinc/07/55/20/130075520.db2.gz FFQDPVLWAXRJCS-CHWSQXEVSA-N -1 3 307.390 2.730 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)c([O-])c1O ZINC000272955797 130077814 /nfs/dbraw/zinc/07/78/14/130077814.db2.gz IWIUZSPRQMGZCJ-WCQYABFASA-N -1 3 307.390 2.730 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2ccccn2)c1 ZINC000273388805 130115341 /nfs/dbraw/zinc/11/53/41/130115341.db2.gz KECVBEWNBPFTPS-RYUDHWBXSA-N -1 3 300.358 2.986 20 10 DFCDHM C[C@@H](NCc1ccc(N(C)C)nc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273388053 130115841 /nfs/dbraw/zinc/11/58/41/130115841.db2.gz KBYWLHRQCJVRFX-LLVKDONJSA-N -1 3 316.361 2.612 20 10 DFCDHM C[C@@H](NCCS(=O)(=O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000273440214 130121834 /nfs/dbraw/zinc/12/18/34/130121834.db2.gz YIQVYBYOXKARSU-GFCCVEGCSA-N -1 3 323.389 2.656 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@@]3(CCCOC3)C2)c1[O-] ZINC000289316190 131373298 /nfs/dbraw/zinc/37/32/98/131373298.db2.gz FGVXUECDRSVQIV-INIZCTEOSA-N -1 3 311.809 2.735 20 10 DFCDHM COc1ccc(CNCc2c([O-])cccc2Cl)c(OC)n1 ZINC000289472964 131388947 /nfs/dbraw/zinc/38/89/47/131388947.db2.gz DPVYWAOWGCXUSZ-UHFFFAOYSA-N -1 3 308.765 2.748 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCO[C@H]3CCCC[C@@H]32)c1[O-] ZINC000120825076 132147523 /nfs/dbraw/zinc/14/75/23/132147523.db2.gz SUZWHHNOPIFCNH-HOTGVXAUSA-N -1 3 307.365 2.877 20 10 DFCDHM Cc1ccc(C(=O)N2CC3(CCC3)[C@H]2[C@H]2CCCO2)c([O-])c1O ZINC000292466487 292050137 /nfs/dbraw/zinc/05/01/37/292050137.db2.gz MGQZYPMWOSFAMU-CZUORRHYSA-N -1 3 317.385 2.580 20 10 DFCDHM Cc1ccc(C(=O)N2Cc3ccccc3O[C@@H](C)C2)c([O-])c1O ZINC000293970518 292070360 /nfs/dbraw/zinc/07/03/60/292070360.db2.gz UQTMEZKSMPUFFQ-LBPRGKRZSA-N -1 3 313.353 2.830 20 10 DFCDHM Cc1cc(Br)cc(CN2CCOC[C@@H]2C)c1[O-] ZINC000124547596 425925424 /nfs/dbraw/zinc/92/54/24/425925424.db2.gz MEJPAYVUEIIDCG-JTQLQIEISA-N -1 3 300.196 2.684 20 10 DFCDHM C[C@@H](C(=O)NCc1ccc(F)cc1)N(C)Cc1ccccc1[O-] ZINC000109773028 426033313 /nfs/dbraw/zinc/03/33/13/426033313.db2.gz BDOIHTYKSRHXCO-ZDUSSCGKSA-N -1 3 316.376 2.668 20 10 DFCDHM CCCCN(CC(N)=O)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132863239 426171109 /nfs/dbraw/zinc/17/11/09/426171109.db2.gz HHNDAVHXLFCPSM-UHFFFAOYSA-N -1 3 305.205 2.786 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@]3(CCOC3)C2)c1[O-] ZINC000093820185 426358013 /nfs/dbraw/zinc/35/80/13/426358013.db2.gz JSKVUFIEGIWCMB-AWEZNQCLSA-N -1 3 312.753 2.566 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@H](C(=O)OC)c1cccnc1 ZINC000154156574 426427700 /nfs/dbraw/zinc/42/77/00/426427700.db2.gz HRMABLJRCAXGFA-KRWDZBQOSA-N -1 3 314.385 2.914 20 10 DFCDHM Cc1nnnn1-c1cccc(N[C@H](C)c2cc(F)ccc2[O-])c1 ZINC000176984952 426430624 /nfs/dbraw/zinc/43/06/24/426430624.db2.gz RSACLIIKKXYVLA-SNVBAGLBSA-N -1 3 313.336 2.989 20 10 DFCDHM C[C@@H](NCC(=O)NCCc1ccccc1)c1ccc(F)cc1[O-] ZINC000186307422 426501943 /nfs/dbraw/zinc/50/19/43/426501943.db2.gz RHDKAHCDNRMUAL-CYBMUJFWSA-N -1 3 316.376 2.541 20 10 DFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)[S@]1=O ZINC000289586383 426668724 /nfs/dbraw/zinc/66/87/24/426668724.db2.gz KFCQISRZVWWTDW-ZDCWMAILSA-N -1 3 301.839 2.777 20 10 DFCDHM C[C@H](NCc1ncccc1N(C)C)c1ccc(F)c(F)c1[O-] ZINC000289607444 426670213 /nfs/dbraw/zinc/67/02/13/426670213.db2.gz CWJQENPYYCAXMU-JTQLQIEISA-N -1 3 307.344 2.982 20 10 DFCDHM Cc1csc(CCCCNC(=O)c2cccc(O)c2[O-])n1 ZINC000187068119 426627239 /nfs/dbraw/zinc/62/72/39/426627239.db2.gz WKLVSSKQWOQNBZ-UHFFFAOYSA-N -1 3 306.387 2.615 20 10 DFCDHM [O-]c1c(F)cccc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281890939 426785776 /nfs/dbraw/zinc/78/57/76/426785776.db2.gz YDBPLRWQUKSUHU-ZBFHGGJFSA-N -1 3 305.324 2.978 20 10 DFCDHM COC(=O)c1cnc(S[C@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000295165310 426845930 /nfs/dbraw/zinc/84/59/30/426845930.db2.gz HNQMGUDURIBVFM-SSDOTTSWSA-N -1 3 311.388 2.587 20 10 DFCDHM CCCOC(=O)[C@H](C)N(Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000246614321 426849138 /nfs/dbraw/zinc/84/91/38/426849138.db2.gz GWMVNUSOJIADJO-GOEBONIOSA-N -1 3 321.417 2.715 20 10 DFCDHM COc1cc(Cl)cc(CN2CCC(F)(F)[C@@H](CO)C2)c1[O-] ZINC000291191062 426879356 /nfs/dbraw/zinc/87/93/56/426879356.db2.gz GOPQDFVLWSBUGG-SNVBAGLBSA-N -1 3 321.751 2.504 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@@H](n2cncn2)C1 ZINC000295387103 426937798 /nfs/dbraw/zinc/93/77/98/426937798.db2.gz PPAPBQFVMWOLHN-LLVKDONJSA-N -1 3 310.760 2.613 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCS[C@@H]2COCC[C@H]21 ZINC000248839646 427050959 /nfs/dbraw/zinc/05/09/59/427050959.db2.gz KXVUNMLXQPFEPT-DGCLKSJQSA-N -1 3 317.813 2.891 20 10 DFCDHM CCn1cc([C@@H](C)NCc2cc(F)cc(C(C)=O)c2[O-])cn1 ZINC000296103864 427074635 /nfs/dbraw/zinc/07/46/35/427074635.db2.gz QDVKIWSTZAKPJF-SNVBAGLBSA-N -1 3 305.353 2.801 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[S@](=O)C[C@@H](C)C2)c1[O-] ZINC000277432255 427200555 /nfs/dbraw/zinc/20/05/55/427200555.db2.gz JORJXGJRPHSUMG-OVWNDWIMSA-N -1 3 301.839 2.554 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000269810965 427281487 /nfs/dbraw/zinc/28/14/87/427281487.db2.gz OTGBFGYRNURKFP-IINYFYTJSA-N -1 3 311.809 2.984 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278133652 427415678 /nfs/dbraw/zinc/41/56/78/427415678.db2.gz CMJIMQZBUISDBS-ZWNOBZJWSA-N -1 3 307.287 2.667 20 10 DFCDHM COc1c([O-])c(CN[C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278791752 427455085 /nfs/dbraw/zinc/45/50/85/427455085.db2.gz WPVHYSPNXDFNNQ-JTQLQIEISA-N -1 3 318.329 2.865 20 10 DFCDHM CCCOc1ccc(CN2CCCC3(C2)OCCO3)c([O-])c1 ZINC000184719952 427525867 /nfs/dbraw/zinc/52/58/67/427525867.db2.gz QYGFXPLJLDNFKU-UHFFFAOYSA-N -1 3 307.390 2.520 20 10 DFCDHM COC(=O)[C@@H](C)N(Cc1cc(F)cc(C(C)=O)c1[O-])C1CCC1 ZINC000192381767 427533271 /nfs/dbraw/zinc/53/32/71/427533271.db2.gz HFASNMRUZLPLOE-SNVBAGLBSA-N -1 3 323.364 2.650 20 10 DFCDHM C[C@H](NCc1nnc2n1CCCCC2)c1ccc(F)cc1[O-] ZINC000184877709 427557257 /nfs/dbraw/zinc/55/72/57/427557257.db2.gz VBYGWLWLVGYJKI-NSHDSACASA-N -1 3 304.369 2.700 20 10 DFCDHM C[C@H](NCC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000185079185 427592800 /nfs/dbraw/zinc/59/28/00/427592800.db2.gz UYLQXTRZJFYRPD-ZDUSSCGKSA-N -1 3 316.376 2.841 20 10 DFCDHM NC(=O)c1cccc(CN(Cc2cc(F)ccc2[O-])C2CC2)c1 ZINC000294886161 427665469 /nfs/dbraw/zinc/66/54/69/427665469.db2.gz WANHDYWPXHATFN-UHFFFAOYSA-N -1 3 314.360 2.795 20 10 DFCDHM Cn1cnc(CN[C@@H](CCc2ccccc2)c2ccccc2[O-])n1 ZINC000294974411 427668784 /nfs/dbraw/zinc/66/87/84/427668784.db2.gz ZRMBVELRLUBZNN-KRWDZBQOSA-N -1 3 322.412 2.984 20 10 DFCDHM CC(C)[C@H](CNC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC000193129850 427672686 /nfs/dbraw/zinc/67/26/86/427672686.db2.gz IOICNHSCXOCLAA-AWEZNQCLSA-N -1 3 300.358 2.662 20 10 DFCDHM CC(C)(C)c1nc(CCNC(=O)c2cccc(O)c2[O-])cs1 ZINC000193150646 427675321 /nfs/dbraw/zinc/67/53/21/427675321.db2.gz BNCLJPBSXFKABT-UHFFFAOYSA-N -1 3 320.414 2.824 20 10 DFCDHM C[C@@H](N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000185812841 427711858 /nfs/dbraw/zinc/71/18/58/427711858.db2.gz XWLVSPJZHMMGGD-MLGOLLRUSA-N -1 3 314.360 2.987 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](COc2ccccc2)C1 ZINC000279805375 427717565 /nfs/dbraw/zinc/71/75/65/427717565.db2.gz KOVDDBJCWOIDME-ZDUSSCGKSA-N -1 3 313.353 2.639 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCO[C@@H]3CCC[C@@H]32)c1[O-] ZINC000370170918 428150716 /nfs/dbraw/zinc/15/07/16/428150716.db2.gz VWUYHYSMWGKYRX-JKSUJKDBSA-N -1 3 307.365 2.877 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@@H](c2noc(C)n2)C1 ZINC000372595712 428470235 /nfs/dbraw/zinc/47/02/35/428470235.db2.gz QOSULZGXBPSCMP-DZGCQCFKSA-N -1 3 303.362 2.608 20 10 DFCDHM Cc1c2ccccc2n(C)c1C[N-]c1nnc(C(F)(F)F)o1 ZINC000357716844 428558709 /nfs/dbraw/zinc/55/87/09/428558709.db2.gz PBJFFHJCBMWVNE-UHFFFAOYSA-N -1 3 310.279 3.501 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000373710717 428638016 /nfs/dbraw/zinc/63/80/16/428638016.db2.gz ZZOOFWDDJNQLJS-GJZGRUSLSA-N -1 3 323.820 2.924 20 10 DFCDHM COc1c([O-])c(CN[C@@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000373918566 428654411 /nfs/dbraw/zinc/65/44/11/428654411.db2.gz RBDJYDIBCGZIII-GFCCVEGCSA-N -1 3 316.313 2.532 20 10 DFCDHM COc1cccc([C@@H]2C[C@@H](O)CN2Cc2cccc(F)c2[O-])c1 ZINC000374361989 428675836 /nfs/dbraw/zinc/67/58/36/428675836.db2.gz YIJXFUBOUPZSBE-PBHICJAKSA-N -1 3 317.360 2.848 20 10 DFCDHM COc1cccc([C@H]2C[C@@H](O)CN2Cc2cccc(F)c2[O-])c1 ZINC000374361990 428677271 /nfs/dbraw/zinc/67/72/71/428677271.db2.gz YIJXFUBOUPZSBE-RHSMWYFYSA-N -1 3 317.360 2.848 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000374412920 428679782 /nfs/dbraw/zinc/67/97/82/428679782.db2.gz WGUKKCVFKJHYEM-STQMWFEESA-N -1 3 307.365 2.592 20 10 DFCDHM [O-]c1ccccc1CN1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000374891940 428776715 /nfs/dbraw/zinc/77/67/15/428776715.db2.gz HDHGPBVRFXVORN-XJKSGUPXSA-N -1 3 305.324 2.978 20 10 DFCDHM O=C1CCCCN1[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000374908174 428782928 /nfs/dbraw/zinc/78/29/28/428782928.db2.gz GVJQXUFTTQXFRW-CQSZACIVSA-N -1 3 306.381 2.508 20 10 DFCDHM [O-]c1ccccc1CN1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000374785410 428751716 /nfs/dbraw/zinc/75/17/16/428751716.db2.gz VRKUCVALNRLVFI-UHFFFAOYSA-N -1 3 306.369 2.708 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1COC2(CCCC2)O1 ZINC000364470496 429208955 /nfs/dbraw/zinc/20/89/55/429208955.db2.gz CHXDNKGAFNBBFN-SNVBAGLBSA-N -1 3 315.772 2.960 20 10 DFCDHM Cc1ccc(C(=O)N2CCOc3c(F)cccc3C2)c([O-])c1O ZINC000364559633 429224627 /nfs/dbraw/zinc/22/46/27/429224627.db2.gz IIEFYUYDSDTBBF-UHFFFAOYSA-N -1 3 317.316 2.580 20 10 DFCDHM Cc1ccncc1C1=CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000365932777 429405414 /nfs/dbraw/zinc/40/54/14/429405414.db2.gz SRQFSUOCADPDLT-UHFFFAOYSA-N -1 3 310.353 2.731 20 10 DFCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000366467222 429457760 /nfs/dbraw/zinc/45/77/60/429457760.db2.gz RDBDIUHBLLDEOX-LRDDRELGSA-N -1 3 311.809 2.816 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]3COC[C@H]32)c1[O-] ZINC000367094981 429577805 /nfs/dbraw/zinc/57/78/05/429577805.db2.gz TZZQZRYZKIOLNK-XHDPSFHLSA-N -1 3 309.793 2.859 20 10 DFCDHM C[C@H]1Oc2ccccc2[C@@H]1NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000367392958 429641286 /nfs/dbraw/zinc/64/12/86/429641286.db2.gz WWNXUIOXYSEXPC-QLJPJBMISA-N -1 3 300.314 2.912 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCc2ncnc(N(C)C)c2C1 ZINC000368824250 429896805 /nfs/dbraw/zinc/89/68/05/429896805.db2.gz KYFUEUUABITYOL-MRXNPFEDSA-N -1 3 312.417 2.758 20 10 DFCDHM CC[C@H](NCC(=O)NCC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000287787307 288036368 /nfs/dbraw/zinc/03/63/68/288036368.db2.gz SMZDUHSVRDZVIZ-JTQLQIEISA-N -1 3 324.730 2.765 20 10 DFCDHM C[C@H](NCc1cccc(N(C)C)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273348177 289981777 /nfs/dbraw/zinc/98/17/77/289981777.db2.gz BFMQZAGIXAEVNU-NSHDSACASA-N -1 3 316.361 2.612 20 10 DFCDHM C[C@H](N[C@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273617380 290036848 /nfs/dbraw/zinc/03/68/48/290036848.db2.gz XUGMKHTYPPYTID-XHDPSFHLSA-N -1 3 302.330 2.685 20 10 DFCDHM Cc1c([C@@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000273391244 300992264 /nfs/dbraw/zinc/99/22/64/300992264.db2.gz KVEITPDCZLYSMB-VHSXEESVSA-N -1 3 304.350 2.754 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@@H](C)[S@@](=O)CC2)c1[O-] ZINC000277667313 334089876 /nfs/dbraw/zinc/08/98/76/334089876.db2.gz PLMJENDVJXATOE-WYRIXSBYSA-N -1 3 301.839 2.697 20 10 DFCDHM CCN(C)C(=O)[C@@H](N[C@H](C)c1ccc(F)c(F)c1[O-])C(C)C ZINC000296345131 334232417 /nfs/dbraw/zinc/23/24/17/334232417.db2.gz HZYJSRGOJMXYTI-YGRLFVJLSA-N -1 3 314.376 2.824 20 10 DFCDHM [O-]c1cccc(Cl)c1CN[C@@H]1COc2ccccc2[C@H]1O ZINC000367282085 336598076 /nfs/dbraw/zinc/59/80/76/336598076.db2.gz GNIANHXQRTXZJT-CZUORRHYSA-N -1 3 305.761 2.630 20 10 DFCDHM O=C(NC1CCN(Cc2cccc(Cl)c2[O-])CC1)C1CCC1 ZINC000367719188 336828547 /nfs/dbraw/zinc/82/85/47/336828547.db2.gz HLNOQUCBISNTOK-UHFFFAOYSA-N -1 3 322.836 2.926 20 10 DFCDHM COc1cc(Cl)cc(CN2CCC[C@H]2c2ncon2)c1[O-] ZINC000368708722 336851182 /nfs/dbraw/zinc/85/11/82/336851182.db2.gz WZOZODWFJJUGHY-NSHDSACASA-N -1 3 309.753 2.774 20 10 DFCDHM O=C1NCCN(Cc2cc(Cl)ccc2[O-])[C@H]1c1cccs1 ZINC000371330840 336900676 /nfs/dbraw/zinc/90/06/76/336900676.db2.gz CWPJFSKEZMHECO-AWEZNQCLSA-N -1 3 322.817 2.780 20 10 DFCDHM C[C@H](NC(=O)c1cccc(O)c1[O-])c1nccn1-c1ccccc1 ZINC000377088465 337046610 /nfs/dbraw/zinc/04/66/10/337046610.db2.gz JEZKCILQZINJAJ-LBPRGKRZSA-N -1 3 323.352 2.775 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCC(C)(C)S(=O)(=O)CC1 ZINC000377672707 337058053 /nfs/dbraw/zinc/05/80/53/337058053.db2.gz LRYCUZOEIWALTA-AWEZNQCLSA-N -1 3 311.447 2.742 20 10 DFCDHM CCCOc1ccc(CN2CCOC[C@H]2[C@H]2CCCO2)c([O-])c1 ZINC000377708700 337059463 /nfs/dbraw/zinc/05/94/63/337059463.db2.gz XOGXJMBEKAXBEZ-FUHWJXTLSA-N -1 3 321.417 2.561 20 10 DFCDHM O=C1CCCN1CC1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000378340120 337070313 /nfs/dbraw/zinc/07/03/13/337070313.db2.gz GIHPQIHNTADBRQ-UHFFFAOYSA-N -1 3 322.836 2.880 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCn3c(nnc3C3CC3)C2)c1[O-] ZINC000378438500 337072612 /nfs/dbraw/zinc/07/26/12/337072612.db2.gz JLQWEDYOOSMTGD-UHFFFAOYSA-N -1 3 318.808 2.839 20 10 DFCDHM C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000185585457 337249131 /nfs/dbraw/zinc/24/91/31/337249131.db2.gz VQGWWNZEPOLULW-MNOVXSKESA-N -1 3 304.369 2.871 20 10 DFCDHM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1nnc2n1CCCC2 ZINC000185585492 337249205 /nfs/dbraw/zinc/24/92/05/337249205.db2.gz VQGWWNZEPOLULW-GHMZBOCLSA-N -1 3 304.369 2.871 20 10 DFCDHM Cc1ccc(C(=O)N[C@H]2CCOc3c(F)cccc32)c([O-])c1O ZINC000189621826 337280853 /nfs/dbraw/zinc/28/08/53/337280853.db2.gz YUZRIWSPNCONNE-ZDUSSCGKSA-N -1 3 317.316 2.799 20 10 DFCDHM C[C@]1(Br)C[C@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000529511510 340758502 /nfs/dbraw/zinc/75/85/02/340758502.db2.gz JGOGKBXWVUFQRE-CABZTGNLSA-N -1 3 318.598 2.835 20 10 DFCDHM CCc1nc([C@@H](C)NC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000182426763 522414676 /nfs/dbraw/zinc/41/46/76/522414676.db2.gz GWVRNYFWCQWXBN-SECBINFHSA-N -1 3 306.387 2.916 20 10 DFCDHM C[C@@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131036730 524875089 /nfs/dbraw/zinc/87/50/89/524875089.db2.gz WSYOWRGUROYKIP-DCXZOGHSSA-N -1 3 310.246 2.898 20 10 DFCDHM C[C@@H](NCc1ccnn1C)c1cc(Br)ccc1[O-] ZINC000181011327 525545300 /nfs/dbraw/zinc/54/53/00/525545300.db2.gz LYGWHYVCQKEBDE-SECBINFHSA-N -1 3 310.195 2.739 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCCC2=O)c([O-])c1O ZINC000182581356 526100068 /nfs/dbraw/zinc/10/00/68/526100068.db2.gz HYMMMKQUFBGJAY-GXTWGEPZSA-N -1 3 317.385 2.770 20 10 DFCDHM Cc1csc([C@@H]2COCCN2Cc2cc(F)ccc2[O-])n1 ZINC000190404588 526425294 /nfs/dbraw/zinc/42/52/94/526425294.db2.gz IMGAOBXBIAWTTK-ZDUSSCGKSA-N -1 3 308.378 2.870 20 10 DFCDHM Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000182944062 526514557 /nfs/dbraw/zinc/51/45/57/526514557.db2.gz KAEJNKVOCPUNIQ-ZDUSSCGKSA-N -1 3 315.373 2.723 20 10 DFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1c([O-])cccc1O ZINC000271271832 526680960 /nfs/dbraw/zinc/68/09/60/526680960.db2.gz JRUXPKJMYWSDPO-UHFFFAOYSA-N -1 3 312.369 2.628 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000297582403 528147564 /nfs/dbraw/zinc/14/75/64/528147564.db2.gz DPYLIBNDXAINHG-INIZCTEOSA-N -1 3 321.417 2.715 20 10 DFCDHM C[N@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345940 603593584 /nfs/dbraw/zinc/59/35/84/603593584.db2.gz MURHPEKWCWYBFI-CYBMUJFWSA-N -1 3 300.358 2.730 20 10 DFCDHM C[N@@H+](Cc1c([O-])ccc2ccccc21)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345940 603593587 /nfs/dbraw/zinc/59/35/87/603593587.db2.gz MURHPEKWCWYBFI-CYBMUJFWSA-N -1 3 300.358 2.730 20 10 DFCDHM C[C@@H](NC(=O)[O-])[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000833811443 605595783 /nfs/dbraw/zinc/59/57/83/605595783.db2.gz CNYBBFDURGUTBR-OCCSQVGLSA-N -1 3 323.412 2.760 20 10 DFCDHM COc1ccc(-c2nnn[n-]2)cc1NCc1ccc(N(C)C)cc1 ZINC000826186693 609481059 /nfs/dbraw/zinc/48/10/59/609481059.db2.gz HGAMLRJXKFAJFI-UHFFFAOYSA-N -1 3 324.388 2.553 20 10 DFCDHM COc1ccc(-c2nn[n-]n2)cc1NCc1ccc(N(C)C)cc1 ZINC000826186693 609481061 /nfs/dbraw/zinc/48/10/61/609481061.db2.gz HGAMLRJXKFAJFI-UHFFFAOYSA-N -1 3 324.388 2.553 20 10 DFCDHM C[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000296122452 297220313 /nfs/dbraw/zinc/22/03/13/297220313.db2.gz OIWOXXBWGJWPBD-BDAKNGLRSA-N -1 3 303.280 2.901 20 10 DFCDHM CN(Cc1nccn1CC(F)(F)F)Cc1cc(F)ccc1[O-] ZINC000272279012 130015279 /nfs/dbraw/zinc/01/52/79/130015279.db2.gz MLCGRWNETVDPJQ-UHFFFAOYSA-N -1 3 317.286 2.922 20 10 DFCDHM CC[C@H]1CN(Cc2cccc(F)c2[O-])CCN1CC(F)F ZINC000272297435 130016643 /nfs/dbraw/zinc/01/66/43/130016643.db2.gz PBHUSWHVENDDRF-LBPRGKRZSA-N -1 3 302.340 2.693 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(C)nc2)c1 ZINC000273360862 130110463 /nfs/dbraw/zinc/11/04/63/130110463.db2.gz CWULZISJSZUWHN-LBPRGKRZSA-N -1 3 300.358 2.733 20 10 DFCDHM C[C@H](N[C@@H]1c2ccccc2C[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273589330 130141596 /nfs/dbraw/zinc/14/15/96/130141596.db2.gz OTADFUXCNDAENL-LZVXQISVSA-N -1 3 314.341 2.609 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2cn(C)nc2C)c1 ZINC000273607277 130142967 /nfs/dbraw/zinc/14/29/67/130142967.db2.gz UNUMNRHYCVBRSF-QWRGUYRKSA-N -1 3 317.389 2.633 20 10 DFCDHM Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000286329760 131230542 /nfs/dbraw/zinc/23/05/42/131230542.db2.gz AMFUCMJRXQONHV-UHFFFAOYSA-N -1 3 304.346 2.676 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@]3(CCCOC3)C2)c1[O-] ZINC000289316191 131373013 /nfs/dbraw/zinc/37/30/13/131373013.db2.gz FGVXUECDRSVQIV-MRXNPFEDSA-N -1 3 311.809 2.735 20 10 DFCDHM Cc1cc(Br)cc(CN2CC(C(C)(C)O)C2)c1[O-] ZINC000297477515 227218756 /nfs/dbraw/zinc/21/87/56/227218756.db2.gz TUKIOUJSKRQEQX-UHFFFAOYSA-N -1 3 314.223 2.666 20 10 DFCDHM C[C@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccccc1[O-] ZINC000109773358 426032092 /nfs/dbraw/zinc/03/20/92/426032092.db2.gz AOCZMXUAHZJHFR-CQSZACIVSA-N -1 3 310.397 2.802 20 10 DFCDHM O=C(CC1CC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000134269037 426186327 /nfs/dbraw/zinc/18/63/27/426186327.db2.gz IVABUHUZRGTAFP-OAHLLOKOSA-N -1 3 322.836 2.926 20 10 DFCDHM CCCN(Cc1nc([C@H](C)OC)no1)Cc1ccccc1[O-] ZINC000175284176 426294975 /nfs/dbraw/zinc/29/49/75/426294975.db2.gz WRYOMUFKYVWUTG-LBPRGKRZSA-N -1 3 305.378 2.895 20 10 DFCDHM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCCNC1=O ZINC000123916092 426461026 /nfs/dbraw/zinc/46/10/26/426461026.db2.gz AGCZWPFKLXJYEA-GFCCVEGCSA-N -1 3 317.216 2.800 20 10 DFCDHM Cc1cccc(OCCN(C)C(=O)c2ccc(C)c(O)c2[O-])c1 ZINC000177673599 426503264 /nfs/dbraw/zinc/50/32/64/426503264.db2.gz LFJGNNJWWGBNAC-UHFFFAOYSA-N -1 3 315.369 2.866 20 10 DFCDHM C[C@H]1OCC[C@@]12CN(Cc1c([O-])cccc1Cl)C[C@@H](C)O2 ZINC000280450461 426579466 /nfs/dbraw/zinc/57/94/66/426579466.db2.gz LFIJVOXVWHCBHU-XHBSWPGZSA-N -1 3 311.809 2.814 20 10 DFCDHM Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000187160958 426634512 /nfs/dbraw/zinc/63/45/12/426634512.db2.gz RMGXIURMEIYKEA-AWEZNQCLSA-N -1 3 300.358 2.804 20 10 DFCDHM Cc1ccc(C(=O)N2CCC(OCC(C)C)CC2)c([O-])c1O ZINC000179457438 426790185 /nfs/dbraw/zinc/79/01/85/426790185.db2.gz ZSTYDQRKWKOFFY-UHFFFAOYSA-N -1 3 307.390 2.683 20 10 DFCDHM O=C(C1CCCCC1)N1CCN(Cc2ccccc2[O-])CC1 ZINC000179564030 426801896 /nfs/dbraw/zinc/80/18/96/426801896.db2.gz LERXQUZCRBELFY-UHFFFAOYSA-N -1 3 302.418 2.617 20 10 DFCDHM CCn1ccnc1[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000281962968 426803318 /nfs/dbraw/zinc/80/33/18/426803318.db2.gz XVSQZDVTOIEVAZ-ZDUSSCGKSA-N -1 3 315.373 2.682 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)[C@H](CO)c2ccccc2)c1[O-] ZINC000267487081 426883913 /nfs/dbraw/zinc/88/39/13/426883913.db2.gz LRFLMBRXJLDJMN-QGZVFWFLSA-N -1 3 317.360 2.899 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000247018058 426890864 /nfs/dbraw/zinc/89/08/64/426890864.db2.gz ZIUBTEKAPQXKBD-BLLLJJGKSA-N -1 3 307.365 2.735 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@H](O)C23CCCC3)c1[O-] ZINC000292877727 427205749 /nfs/dbraw/zinc/20/57/49/427205749.db2.gz XQYDHSMOTQPXPA-HNNXBMFYSA-N -1 3 307.365 2.613 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCO[C@H](C(C)C)C2)c1[O-] ZINC000293191380 427240092 /nfs/dbraw/zinc/24/00/92/427240092.db2.gz QGOMKYKYCYWOOO-INIZCTEOSA-N -1 3 309.381 2.981 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000269810967 427280845 /nfs/dbraw/zinc/28/08/45/427280845.db2.gz OTGBFGYRNURKFP-QMTHXVAHSA-N -1 3 311.809 2.984 20 10 DFCDHM CCCCCN1CC(=O)N[C@@H]1c1cc(Cl)cc(OC)c1[O-] ZINC000183632895 427305185 /nfs/dbraw/zinc/30/51/85/427305185.db2.gz FCUPKWMMQGNIBE-HNNXBMFYSA-N -1 3 312.797 2.675 20 10 DFCDHM Cn1cnnc1CN[C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000293601004 427376950 /nfs/dbraw/zinc/37/69/50/427376950.db2.gz GBGIYAVADILDIG-KRWDZBQOSA-N -1 3 322.412 2.984 20 10 DFCDHM CN(C)c1ncnc(Cl)c1CN(C)Cc1ccccc1[O-] ZINC000278782466 427449388 /nfs/dbraw/zinc/44/93/88/427449388.db2.gz ZNYAKROTEZDBNY-UHFFFAOYSA-N -1 3 306.797 2.534 20 10 DFCDHM COc1c([O-])c(CN2CCC[C@@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000278294596 427428271 /nfs/dbraw/zinc/42/82/71/427428271.db2.gz VHTLANIZLRKCQF-CYBMUJFWSA-N -1 3 317.345 2.974 20 10 DFCDHM COc1c([O-])c(CN(C)Cc2cnc(C)s2)ccc1[N+](=O)[O-] ZINC000278291942 427428857 /nfs/dbraw/zinc/42/88/57/427428857.db2.gz VABORINANSATJI-UHFFFAOYSA-N -1 3 323.374 2.706 20 10 DFCDHM CCOc1ncccc1NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278550293 427442939 /nfs/dbraw/zinc/44/29/39/427442939.db2.gz YYERVLFUYTZZDT-UHFFFAOYSA-N -1 3 319.317 2.715 20 10 DFCDHM COc1c([O-])c(CN(C)[C@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278502956 427443366 /nfs/dbraw/zinc/44/33/66/427443366.db2.gz OGRBPAVIIZLCKE-LLVKDONJSA-N -1 3 317.345 2.897 20 10 DFCDHM COc1c([O-])c(CN(C)[C@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508629 427444024 /nfs/dbraw/zinc/44/40/24/427444024.db2.gz PKFVHGNIHKYFNA-LLVKDONJSA-N -1 3 317.345 2.897 20 10 DFCDHM COc1cc(Cl)cc(CN(C)[C@@H](C)C(=O)OC(C)C)c1[O-] ZINC000184700499 427520828 /nfs/dbraw/zinc/52/08/28/427520828.db2.gz AFOMKRGGZDUSST-JTQLQIEISA-N -1 3 315.797 2.826 20 10 DFCDHM Cc1csc([C@H](C)CNC(=O)c2ccc(C)c(O)c2[O-])n1 ZINC000184725568 427526428 /nfs/dbraw/zinc/52/64/28/427526428.db2.gz XPSZWCYFPWABET-SECBINFHSA-N -1 3 306.387 2.705 20 10 DFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2ccsc2)O1 ZINC000193133675 427671414 /nfs/dbraw/zinc/67/14/14/427671414.db2.gz BJWUMNFYQFJEDO-HZMBPMFUSA-N -1 3 319.382 2.762 20 10 DFCDHM CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)cc1[O-] ZINC000185682505 427690185 /nfs/dbraw/zinc/69/01/85/427690185.db2.gz BXCVKEKLSQETQK-MFKMUULPSA-N -1 3 304.369 2.871 20 10 DFCDHM O=C(C=Cc1cncc([O-])c1)N1C[C@H]2CCC(=O)c3cccc1c32 ZINC000185820193 427713690 /nfs/dbraw/zinc/71/36/90/427713690.db2.gz YBAYCVNVEXZJKZ-WXJAXGNASA-N -1 3 320.348 2.907 20 10 DFCDHM CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000186029721 427742127 /nfs/dbraw/zinc/74/21/27/427742127.db2.gz SVXXEAKVIDGOOM-UWVGGRQHSA-N -1 3 305.827 2.519 20 10 DFCDHM CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000186029749 427742613 /nfs/dbraw/zinc/74/26/13/427742613.db2.gz SVXXEAKVIDGOOM-VHSXEESVSA-N -1 3 305.827 2.519 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000369851801 428075781 /nfs/dbraw/zinc/07/57/81/428075781.db2.gz LABWAIFFEMCIIO-HNNXBMFYSA-N -1 3 309.381 2.691 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@H](c2noc(C)n2)C1 ZINC000372595715 428470519 /nfs/dbraw/zinc/47/05/19/428470519.db2.gz QOSULZGXBPSCMP-ZFWWWQNUSA-N -1 3 303.362 2.608 20 10 DFCDHM Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000374258098 428669980 /nfs/dbraw/zinc/66/99/80/428669980.db2.gz IJYBDKXNLRXWNT-AWEZNQCLSA-N -1 3 321.808 2.959 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)c([O-])c1O ZINC000363862281 429000710 /nfs/dbraw/zinc/00/07/10/429000710.db2.gz YJZOMTRFILMKFY-OAHLLOKOSA-N -1 3 319.401 2.828 20 10 DFCDHM O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cccc(O)c1[O-] ZINC000363955309 429147527 /nfs/dbraw/zinc/14/75/27/429147527.db2.gz SCYWBXJDJMAMIP-UHFFFAOYSA-N -1 3 323.308 2.513 20 10 DFCDHM Cc1nc2c(s1)[C@@H](NC(=O)c1ccc(C)c(O)c1[O-])CCC2 ZINC000364710704 429253074 /nfs/dbraw/zinc/25/30/74/429253074.db2.gz YCLMHTVVIOBBDU-LBPRGKRZSA-N -1 3 318.398 2.979 20 10 DFCDHM Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000365598023 429347520 /nfs/dbraw/zinc/34/75/20/429347520.db2.gz JZYSNVBKAMZXHG-INIZCTEOSA-N -1 3 313.353 2.620 20 10 DFCDHM C[C@@]1(O)CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000369124398 429914348 /nfs/dbraw/zinc/91/43/48/429914348.db2.gz DRDXLIRVJASQMT-CQSZACIVSA-N -1 3 314.769 2.691 20 10 DFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@H](c2ccccc2)O1 ZINC000187019048 288045835 /nfs/dbraw/zinc/04/58/35/288045835.db2.gz PKRBKGRBZAJTRY-MLGOLLRUSA-N -1 3 313.353 2.700 20 10 DFCDHM CC(C)[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nncn1C ZINC000294586443 279907447 /nfs/dbraw/zinc/90/74/47/279907447.db2.gz HFXXNFKIFOWCJK-CYBMUJFWSA-N -1 3 312.776 2.800 20 10 DFCDHM C[C@@H](NCc1cccc(F)c1[O-])c1nnc2n1CCCCC2 ZINC000317301715 331678694 /nfs/dbraw/zinc/67/86/94/331678694.db2.gz MOEJEPXJZIQPPQ-LLVKDONJSA-N -1 3 304.369 2.700 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1[O-] ZINC000128203781 332010503 /nfs/dbraw/zinc/01/05/03/332010503.db2.gz RGGIDXCLQGTJDU-KDOFPFPSSA-N -1 3 321.392 2.861 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCN(C3CC3)CC2)c1[O-] ZINC000048994950 332306341 /nfs/dbraw/zinc/30/63/41/332306341.db2.gz AWDOKQIKJZHPQJ-UHFFFAOYSA-N -1 3 308.809 2.528 20 10 DFCDHM CC[C@H](NCc1cc(Cl)c(F)cc1[O-])[C@H](O)C(F)(F)F ZINC000293520559 335111436 /nfs/dbraw/zinc/11/14/36/335111436.db2.gz CYXLMOUNKVQCBG-ONGXEEELSA-N -1 3 315.694 2.976 20 10 DFCDHM CCN1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000307879431 333017168 /nfs/dbraw/zinc/01/71/68/333017168.db2.gz WZZCVMWVDTYXDW-UHFFFAOYSA-N -1 3 310.825 2.776 20 10 DFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC000294797351 335127572 /nfs/dbraw/zinc/12/75/72/335127572.db2.gz VSQSLXLPOUZNKF-KOLCDFICSA-N -1 3 315.772 2.816 20 10 DFCDHM COC(=O)[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC000294797375 335127605 /nfs/dbraw/zinc/12/76/05/335127605.db2.gz VSQSLXLPOUZNKF-ONGXEEELSA-N -1 3 315.772 2.816 20 10 DFCDHM Cc1ccc(C(=O)NCc2ccc(C(C)(C)O)cc2)c([O-])c1O ZINC000186680950 333221733 /nfs/dbraw/zinc/22/17/33/333221733.db2.gz OMSDRRYRVJSCNA-UHFFFAOYSA-N -1 3 315.369 2.564 20 10 DFCDHM COC(=O)C[C@@H]1CCCN1Cc1cc(Cl)c(F)cc1[O-] ZINC000295396125 335133706 /nfs/dbraw/zinc/13/37/06/335133706.db2.gz QHADSRZMEZZJAT-JTQLQIEISA-N -1 3 301.745 2.712 20 10 DFCDHM CC(C)c1nc([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273466457 334047390 /nfs/dbraw/zinc/04/73/90/334047390.db2.gz IYVMKYMXEBBSTL-NXEZZACHSA-N -1 3 319.365 2.954 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@H](C)[S@](=O)CC2)c1[O-] ZINC000277667304 334089836 /nfs/dbraw/zinc/08/98/36/334089836.db2.gz PLMJENDVJXATOE-JEOXALJRSA-N -1 3 301.839 2.697 20 10 DFCDHM CC[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000286248290 334152507 /nfs/dbraw/zinc/15/25/07/334152507.db2.gz UHEYFJXFFROZBQ-ZDUSSCGKSA-N -1 3 317.426 2.785 20 10 DFCDHM Cc1cc(Br)cc(CN2CC(n3cccn3)C2)c1[O-] ZINC000367724061 336828656 /nfs/dbraw/zinc/82/86/56/336828656.db2.gz OLLJPOGDEOHVLZ-UHFFFAOYSA-N -1 3 322.206 2.717 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC(OC[C@H]2CCOC2)CC1 ZINC000369964373 336874921 /nfs/dbraw/zinc/87/49/21/336874921.db2.gz LWEMQJMORXZNCV-ZDUSSCGKSA-N -1 3 309.381 2.549 20 10 DFCDHM CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cccc(F)c2[O-])C1 ZINC000374763164 336996609 /nfs/dbraw/zinc/99/66/09/336996609.db2.gz RHPGZAHQLRGAHO-OAHLLOKOSA-N -1 3 314.360 2.599 20 10 DFCDHM CCCOc1ccc(CN2CC[S@@](=O)CC[C@H]2C)c([O-])c1 ZINC000376660750 337039282 /nfs/dbraw/zinc/03/92/82/337039282.db2.gz ZSWRNBSQURPYFP-ASSNKEHSSA-N -1 3 311.447 2.524 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CNc1cnccc1-n1ccnn1 ZINC000377404377 337052091 /nfs/dbraw/zinc/05/20/91/337052091.db2.gz SHSJDTUAYPDYSX-UHFFFAOYSA-N -1 3 319.727 2.773 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@@H]1c1noc(C)n1 ZINC000377548084 337054966 /nfs/dbraw/zinc/05/49/66/337054966.db2.gz FKDOVVRAHFNTLP-UONOGXRCSA-N -1 3 303.362 2.608 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCn3c(C)c(C)nc3C2)c1[O-] ZINC000378002996 337064980 /nfs/dbraw/zinc/06/49/80/337064980.db2.gz LHFQUOSJMCLVML-UHFFFAOYSA-N -1 3 317.364 2.563 20 10 DFCDHM CCn1ncc2c1CCC[C@@H]2NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000360091347 337085112 /nfs/dbraw/zinc/08/51/12/337085112.db2.gz CBNQKUJJXMAADI-AWEZNQCLSA-N -1 3 316.361 2.684 20 10 DFCDHM CCOC(=O)N1CCCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000179747375 337171601 /nfs/dbraw/zinc/17/16/01/337171601.db2.gz CENABGRGDOWYFT-UHFFFAOYSA-N -1 3 312.797 2.710 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCCC[C@@H]1CN1CCOCC1 ZINC000180027716 337173267 /nfs/dbraw/zinc/17/32/67/337173267.db2.gz JAILOVUJYXSNDA-OAHLLOKOSA-N -1 3 324.852 2.732 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c([O-])c1O ZINC000182543860 337188905 /nfs/dbraw/zinc/18/89/05/337188905.db2.gz WFLURJYNHNGGFO-KGLIPLIRSA-N -1 3 315.373 2.516 20 10 DFCDHM CC(C)c1nc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])no1 ZINC000187145254 337262842 /nfs/dbraw/zinc/26/28/42/337262842.db2.gz CJGRDMDVRRFCPU-LLVKDONJSA-N -1 3 317.345 2.582 20 10 DFCDHM CC(C)c1nnc2n1CCN(Cc1cc(F)ccc1[O-])[C@@H]2C ZINC000188475498 337273594 /nfs/dbraw/zinc/27/35/94/337273594.db2.gz MWMHKXCENIKCJW-LLVKDONJSA-N -1 3 304.369 2.823 20 10 DFCDHM CCn1cc([C@@H]2CN(Cc3cc(Cl)ccc3[O-])CCO2)cn1 ZINC000191699044 337300683 /nfs/dbraw/zinc/30/06/83/337300683.db2.gz VOAKLIKSYZJMQA-INIZCTEOSA-N -1 3 321.808 2.836 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC(Nc2cccnn2)CC1 ZINC000120297639 337395700 /nfs/dbraw/zinc/39/57/00/337395700.db2.gz FOHDPVBZFHPCSW-UHFFFAOYSA-N -1 3 318.808 2.912 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)NCc1ccc2cccnc2c1[O-] ZINC000529500374 340758071 /nfs/dbraw/zinc/75/80/71/340758071.db2.gz FZABBCYFJBCSOR-OHTBPHCPSA-N -1 3 314.385 2.616 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H](N(C)C)C2)c1[O-] ZINC000251710650 341419422 /nfs/dbraw/zinc/41/94/22/341419422.db2.gz JJZVPZZNOIMQNH-MEBBXXQBSA-N -1 3 310.825 2.630 20 10 DFCDHM [O-]c1ccc(Cl)cc1CNc1cnccc1-n1ccnn1 ZINC000367470198 518203595 /nfs/dbraw/zinc/20/35/95/518203595.db2.gz RETNHSCJVAMZKE-UHFFFAOYSA-N -1 3 301.737 2.633 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCN(C(C)C)CC2)c1[O-] ZINC000267473973 518284372 /nfs/dbraw/zinc/28/43/72/518284372.db2.gz ZYSWUURXKFIPHU-UHFFFAOYSA-N -1 3 308.397 2.650 20 10 DFCDHM CC(C)(C)C(=O)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000128325583 518566154 /nfs/dbraw/zinc/56/61/54/518566154.db2.gz UTFVSNCRLIOKNX-UHFFFAOYSA-N -1 3 310.825 2.736 20 10 DFCDHM CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000158078998 519876574 /nfs/dbraw/zinc/87/65/74/519876574.db2.gz JKLRHMQILUVXBP-AWEZNQCLSA-N -1 3 310.825 2.926 20 10 DFCDHM CCOCCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCC1 ZINC000182824160 521689964 /nfs/dbraw/zinc/68/99/64/521689964.db2.gz NQTAFXWVAFWICH-UHFFFAOYSA-N -1 3 307.390 2.733 20 10 DFCDHM COCCC1(CNC(=O)c2ccc(C)c(O)c2[O-])CCCC1 ZINC000182613051 523058818 /nfs/dbraw/zinc/05/88/18/523058818.db2.gz AQQDGTFJHZMNMI-UHFFFAOYSA-N -1 3 307.390 2.733 20 10 DFCDHM C[C@@H](C[S@@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131037135 524866402 /nfs/dbraw/zinc/86/64/02/524866402.db2.gz WSYOWRGUROYKIP-ASCAZGACSA-N -1 3 310.246 2.898 20 10 DFCDHM C[C@H](NCc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000181013563 525479959 /nfs/dbraw/zinc/47/99/59/525479959.db2.gz RHMNMDGMLCOVQB-VIFPVBQESA-N -1 3 310.195 2.739 20 10 DFCDHM Cc1cc(Br)cc(CN(C)Cc2cnccn2)c1[O-] ZINC000179886092 526157360 /nfs/dbraw/zinc/15/73/60/526157360.db2.gz WWBFSDIRTHCXQC-UHFFFAOYSA-N -1 3 322.206 2.885 20 10 DFCDHM O=C(NCc1ncoc1-c1ccccc1)c1cccc(O)c1[O-] ZINC000365098355 526832299 /nfs/dbraw/zinc/83/22/99/526832299.db2.gz IMDVJCVUSFGYKC-UHFFFAOYSA-N -1 3 310.309 2.683 20 10 DFCDHM Cn1cnnc1C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000130597417 527521273 /nfs/dbraw/zinc/52/12/73/527521273.db2.gz WSUONCSXHYOFKF-UHFFFAOYSA-N -1 3 306.797 2.554 20 10 DFCDHM CCc1noc(C)c1CN[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000293569603 535884360 /nfs/dbraw/zinc/88/43/60/535884360.db2.gz BESGDKDGJRRAJC-SNVBAGLBSA-N -1 3 318.373 2.888 20 10 DFCDHM CN(C)c1ccc(C=Cc2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000736774620 598494552 /nfs/dbraw/zinc/49/45/52/598494552.db2.gz VXXCQRDJLYZDQF-ZZXKWVIFSA-N -1 3 310.336 2.637 20 10 DFCDHM CN(C)c1ccc(C=Cc2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000736774620 598494553 /nfs/dbraw/zinc/49/45/53/598494553.db2.gz VXXCQRDJLYZDQF-ZZXKWVIFSA-N -1 3 310.336 2.637 20 10 DFCDHM O=C([O-])NCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000740652967 602647622 /nfs/dbraw/zinc/64/76/22/602647622.db2.gz PYJITXIKBZCPHT-UHFFFAOYSA-N -1 3 300.358 2.807 20 10 DFCDHM C[C@@H](Oc1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1)C(=O)[O-] ZINC000833537297 604580788 /nfs/dbraw/zinc/58/07/88/604580788.db2.gz HWRXSYYDWOVGAB-CYBMUJFWSA-N -1 3 315.369 2.876 20 10 DFCDHM C[C@@H](Oc1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1)C(=O)[O-] ZINC000833537297 604580792 /nfs/dbraw/zinc/58/07/92/604580792.db2.gz HWRXSYYDWOVGAB-CYBMUJFWSA-N -1 3 315.369 2.876 20 10 DFCDHM CCCN1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079434453 399043314 /nfs/dbraw/zinc/04/33/14/399043314.db2.gz HODASUQNLBKPCT-UHFFFAOYSA-N -1 3 308.397 2.652 20 10 DFCDHM COC(=O)CN(Cc1cccn1C)Cc1cc(Cl)ccc1[O-] ZINC000093277178 193223828 /nfs/dbraw/zinc/22/38/28/193223828.db2.gz LDHXUUGBDVEGAL-UHFFFAOYSA-N -1 3 322.792 2.559 20 10 DFCDHM C[C@H](N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000187753351 299404655 /nfs/dbraw/zinc/40/46/55/299404655.db2.gz LPWMDAPDUCVRMK-AUYAEMIRSA-N -1 3 305.324 2.979 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCC(O)(C(F)(F)F)CC1 ZINC000272884193 130071057 /nfs/dbraw/zinc/07/10/57/130071057.db2.gz YIKKXUZAVLGPRC-UHFFFAOYSA-N -1 3 309.715 2.935 20 10 DFCDHM C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc2ccccc2c1[O-] ZINC000273502162 130129013 /nfs/dbraw/zinc/12/90/13/130129013.db2.gz QKHXAEQKFJGGLC-YVEFUNNKSA-N -1 3 311.385 2.663 20 10 DFCDHM C[C@@H](N[C@@H](CO)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273617375 130144949 /nfs/dbraw/zinc/14/49/49/130144949.db2.gz XUGMKHTYPPYTID-ABAIWWIYSA-N -1 3 302.330 2.685 20 10 DFCDHM Cc1nn(C)cc1[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615827 130145978 /nfs/dbraw/zinc/14/59/78/130145978.db2.gz XJDYUUILLKJOBV-ZJUUUORDSA-N -1 3 304.350 2.754 20 10 DFCDHM Cc1ccc(C(=O)N2CCCCC[C@H]2C[C@H](C)O)c([O-])c1O ZINC000287266870 131271814 /nfs/dbraw/zinc/27/18/14/131271814.db2.gz KHDASPGPGYHMIC-STQMWFEESA-N -1 3 307.390 2.562 20 10 DFCDHM CN(Cc1nn(C)cc1Br)Cc1ccccc1[O-] ZINC000293026768 543019293 /nfs/dbraw/zinc/01/92/93/543019293.db2.gz VUZADBWOLOVNQQ-UHFFFAOYSA-N -1 3 310.195 2.520 20 10 DFCDHM C[C@H]1CCCC[C@H]1N(C)C(=O)CN(C)Cc1ccccc1[O-] ZINC000111235798 426039509 /nfs/dbraw/zinc/03/95/09/426039509.db2.gz KWUCXQXLISVCIH-GOEBONIOSA-N -1 3 304.434 2.861 20 10 DFCDHM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)ccc3[O-])[C@@H]2C1 ZINC000092096112 426347077 /nfs/dbraw/zinc/34/70/77/426347077.db2.gz QXLRPNOHIBYVCX-FMKPAKJESA-N -1 3 311.809 2.814 20 10 DFCDHM Cc1ccc(OCCN(C)C(=O)c2ccc(C)c(O)c2[O-])cc1 ZINC000177663629 426501706 /nfs/dbraw/zinc/50/17/06/426501706.db2.gz CUZHMJJLNHVZJB-UHFFFAOYSA-N -1 3 315.369 2.866 20 10 DFCDHM Cc1nc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])cs1 ZINC000280531067 426595391 /nfs/dbraw/zinc/59/53/91/426595391.db2.gz RQRJXJXLWQOMJE-GFCCVEGCSA-N -1 3 304.371 2.840 20 10 DFCDHM O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc(O)c1[O-] ZINC000186843847 426597521 /nfs/dbraw/zinc/59/75/21/426597521.db2.gz YFJVJOQXCGCGKX-IUCAKERBSA-N -1 3 303.280 2.949 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N(Cc1cccc(O)c1)CC1CC1 ZINC000187090785 426628385 /nfs/dbraw/zinc/62/83/85/426628385.db2.gz NIYPZTSCZSPZTR-UHFFFAOYSA-N -1 3 313.353 2.856 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1[O-] ZINC000245608033 426757120 /nfs/dbraw/zinc/75/71/20/426757120.db2.gz AAPHOAUFLWFWMM-CABCVRRESA-N -1 3 311.809 2.734 20 10 DFCDHM COC(=O)c1cnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)s1 ZINC000295165312 426845641 /nfs/dbraw/zinc/84/56/41/426845641.db2.gz HNQMGUDURIBVFM-ZETCQYMHSA-N -1 3 311.388 2.587 20 10 DFCDHM Cn1cc([C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000295262129 426881821 /nfs/dbraw/zinc/88/18/21/426881821.db2.gz GYDOKVMVWNUSDR-SNVBAGLBSA-N -1 3 309.772 2.908 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](n2cncn2)C1 ZINC000295387104 426936055 /nfs/dbraw/zinc/93/60/55/426936055.db2.gz PPAPBQFVMWOLHN-NSHDSACASA-N -1 3 310.760 2.613 20 10 DFCDHM COCc1n[nH]c([C@@H]2CCCCN2Cc2cccc(F)c2[O-])n1 ZINC000295988809 427039358 /nfs/dbraw/zinc/03/93/58/427039358.db2.gz KATVBWZLCOZYHP-ZDUSSCGKSA-N -1 3 320.368 2.523 20 10 DFCDHM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000276865658 427126806 /nfs/dbraw/zinc/12/68/06/427126806.db2.gz GRAFAGLBGRHQKW-SCZZXKLOSA-N -1 3 318.377 2.529 20 10 DFCDHM Cc1ccc(C(=O)N(C)Cc2ccccc2N(C)C)c([O-])c1O ZINC000292369474 427179351 /nfs/dbraw/zinc/17/93/51/427179351.db2.gz ZCROHPIHMFOCIU-UHFFFAOYSA-N -1 3 314.385 2.744 20 10 DFCDHM CC(=O)c1cc(F)cc(CN[C@@H](C)c2cnn(C)c2C)c1[O-] ZINC000183385345 427259628 /nfs/dbraw/zinc/25/96/28/427259628.db2.gz HOIGXKVLZCBYHC-VIFPVBQESA-N -1 3 305.353 2.627 20 10 DFCDHM Cc1ccc(C(=O)N2CC[C@@H](CC(F)(F)F)C2)c([O-])c1O ZINC000277710123 427294317 /nfs/dbraw/zinc/29/43/17/427294317.db2.gz XDEDHATVSPUTLQ-VIFPVBQESA-N -1 3 303.280 2.821 20 10 DFCDHM CCc1noc(C)c1CN[C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000293569592 427368178 /nfs/dbraw/zinc/36/81/78/427368178.db2.gz BESGDKDGJRRAJC-JTQLQIEISA-N -1 3 318.373 2.888 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2cc[nH]n2)c1[O-] ZINC000278706775 427450576 /nfs/dbraw/zinc/45/05/76/427450576.db2.gz UCCJNGRLVAIRSV-HNNXBMFYSA-N -1 3 303.337 2.794 20 10 DFCDHM CCNC(=O)[C@H](C)N[C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278227046 427424934 /nfs/dbraw/zinc/42/49/34/427424934.db2.gz JRNSPVPGBOOCIB-SFYZADRCSA-N -1 3 305.205 2.874 20 10 DFCDHM CCN(Cc1ccccn1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278212424 427425073 /nfs/dbraw/zinc/42/50/73/427425073.db2.gz KLOBWOZKCOFDID-UHFFFAOYSA-N -1 3 317.345 2.726 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000278325682 427430921 /nfs/dbraw/zinc/43/09/21/427430921.db2.gz GORBUXQHYNWTPT-BXUZGUMPSA-N -1 3 324.396 2.876 20 10 DFCDHM COc1c([O-])c(CNCc2sc(C)nc2C)ccc1[N+](=O)[O-] ZINC000278544135 427443501 /nfs/dbraw/zinc/44/35/01/427443501.db2.gz XURJVEWNRDNHRG-UHFFFAOYSA-N -1 3 323.374 2.672 20 10 DFCDHM COc1cc(Cl)cc(CN2CCC[C@@H]2c2nncn2C)c1[O-] ZINC000184700648 427521483 /nfs/dbraw/zinc/52/14/83/427521483.db2.gz GTRJADPPJLEDRH-GFCCVEGCSA-N -1 3 322.796 2.520 20 10 DFCDHM CC[C@@H](N[C@H]1CCCn2nc(COC)nc21)c1ccccc1[O-] ZINC000185213982 427613545 /nfs/dbraw/zinc/61/35/45/427613545.db2.gz JMSIOXGRLOTETO-KGLIPLIRSA-N -1 3 316.405 2.706 20 10 DFCDHM Cc1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](C)O)c([O-])c1O ZINC000287266862 427564169 /nfs/dbraw/zinc/56/41/69/427564169.db2.gz KHDASPGPGYHMIC-OLZOCXBDSA-N -1 3 307.390 2.562 20 10 DFCDHM O=C(/C=C/c1ccc(N2CCOCC2)cc1)[N-]OC1CCCC1 ZINC000271777970 427586274 /nfs/dbraw/zinc/58/62/74/427586274.db2.gz OQTJDEZIRGQEFI-JXMROGBWSA-N -1 3 316.401 2.527 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000294459523 427642360 /nfs/dbraw/zinc/64/23/60/427642360.db2.gz YUCVKHSYVHPSJF-GXTWGEPZSA-N -1 3 317.813 2.891 20 10 DFCDHM CC(C)[C@@H](CNC(=O)c1cccc(O)c1[O-])c1cccnc1 ZINC000193129838 427673006 /nfs/dbraw/zinc/67/30/06/427673006.db2.gz IOICNHSCXOCLAA-CQSZACIVSA-N -1 3 300.358 2.662 20 10 DFCDHM CCC(CC)[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000193154638 427674538 /nfs/dbraw/zinc/67/45/38/427674538.db2.gz WMOCMEDXEGKUPT-WFASDCNBSA-N -1 3 307.390 2.811 20 10 DFCDHM COCCOC1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295062499 427678578 /nfs/dbraw/zinc/67/85/78/427678578.db2.gz ABZLHDKIWCCTQL-UHFFFAOYSA-N -1 3 317.788 2.812 20 10 DFCDHM C[C@@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000185812880 427710778 /nfs/dbraw/zinc/71/07/78/427710778.db2.gz XWLVSPJZHMMGGD-WBMJQRKESA-N -1 3 314.360 2.987 20 10 DFCDHM CC1(C)CN(Cc2cc(Cl)ccc2[O-])C[C@]2(CCOC2)O1 ZINC000369546343 427995317 /nfs/dbraw/zinc/99/53/17/427995317.db2.gz OGYOOOJIIVWVHZ-INIZCTEOSA-N -1 3 311.809 2.816 20 10 DFCDHM O=C(N[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1)C1CCC1 ZINC000371416509 428390256 /nfs/dbraw/zinc/39/02/56/428390256.db2.gz HLLNKFPHGHPVHH-ZDUSSCGKSA-N -1 3 308.809 2.536 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1C[C@H](OC)C[C@H]1c1nc(C)no1 ZINC000367359681 429630525 /nfs/dbraw/zinc/63/05/25/429630525.db2.gz AOBHJNLDQDTSJN-YUELXQCFSA-N -1 3 317.389 2.997 20 10 DFCDHM C[C@]1(Br)C[C@@H]1C(=O)NCc1cc(Cl)ccc1[O-] ZINC000529511515 430018445 /nfs/dbraw/zinc/01/84/45/430018445.db2.gz JGOGKBXWVUFQRE-SKDRFNHKSA-N -1 3 318.598 2.835 20 10 DFCDHM CC(=O)NCCN(Cc1ccsc1)Cc1cccc(F)c1[O-] ZINC000282917405 278112628 /nfs/dbraw/zinc/11/26/28/278112628.db2.gz DVPMLUOSWRSYAV-UHFFFAOYSA-N -1 3 322.405 2.731 20 10 DFCDHM C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(O)c1[O-] ZINC000285510309 300838488 /nfs/dbraw/zinc/83/84/88/300838488.db2.gz MRRGSUYKPIYIPU-GLJUWKHASA-N -1 3 319.401 2.644 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1c2ccccc2C[C@H]1O ZINC000293738203 335112835 /nfs/dbraw/zinc/11/28/35/335112835.db2.gz WYTNHTDBDFRZLF-HZPDHXFCSA-N -1 3 307.752 2.933 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@H](O)CC1 ZINC000293868428 335115424 /nfs/dbraw/zinc/11/54/24/335115424.db2.gz CLALQMKCMSSXHH-LBPRGKRZSA-N -1 3 300.196 2.502 20 10 DFCDHM COc1ccc(N(C)C(=O)/C=C/c2cncc([O-])c2)cc1F ZINC000182101160 333149301 /nfs/dbraw/zinc/14/93/01/333149301.db2.gz RYQDFNPSAIRCCL-ZZXKWVIFSA-N -1 3 302.305 2.611 20 10 DFCDHM C[C@@H](N[C@H]1CCCNC1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000296351043 335143567 /nfs/dbraw/zinc/14/35/67/335143567.db2.gz IHTAAQGHSXMUTB-XCBNKYQSSA-N -1 3 303.189 2.628 20 10 DFCDHM Cc1nnc(CN(Cc2ccccc2[O-])C[C@@H]2CCCO2)s1 ZINC000271482511 334023911 /nfs/dbraw/zinc/02/39/11/334023911.db2.gz XZZPOWSSUYJQPW-AWEZNQCLSA-N -1 3 319.430 2.733 20 10 DFCDHM CC[C@@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000272267333 334032354 /nfs/dbraw/zinc/03/23/54/334032354.db2.gz RJQWGRKIMWLZPJ-SNVBAGLBSA-N -1 3 313.781 2.593 20 10 DFCDHM COc1c([O-])c(CN(C)Cc2scnc2C)ccc1[N+](=O)[O-] ZINC000278330714 334095100 /nfs/dbraw/zinc/09/51/00/334095100.db2.gz ZHIVWDUBKGCORC-UHFFFAOYSA-N -1 3 323.374 2.706 20 10 DFCDHM COCC[C@H]1CCCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000368491843 336846033 /nfs/dbraw/zinc/84/60/33/336846033.db2.gz KGMGOBRAARBILP-CYBMUJFWSA-N -1 3 307.390 2.685 20 10 DFCDHM CC(=O)N[C@H]1Cc2ccccc2N(Cc2cccc(F)c2[O-])C1 ZINC000374763142 336996619 /nfs/dbraw/zinc/99/66/19/336996619.db2.gz RHPGZAHQLRGAHO-HNNXBMFYSA-N -1 3 314.360 2.599 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@@H]2c2ncc[nH]2)c1[O-] ZINC000374863870 336998565 /nfs/dbraw/zinc/99/85/65/336998565.db2.gz KWDFRMIDTYOZJZ-CQSZACIVSA-N -1 3 303.337 2.794 20 10 DFCDHM Cc1ccc([C@@H]2CSCCN2C(=O)c2cccc(O)c2[O-])o1 ZINC000375669281 337016098 /nfs/dbraw/zinc/01/60/98/337016098.db2.gz PWEVIHYXDXJZSQ-LBPRGKRZSA-N -1 3 319.382 2.930 20 10 DFCDHM COc1ccccc1C1CC(NC(=O)c2cccc(O)c2[O-])C1 ZINC000376551892 337036614 /nfs/dbraw/zinc/03/66/14/337036614.db2.gz BDARFVHEOGZTBI-UHFFFAOYSA-N -1 3 313.353 2.782 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@@H](c2nnc(C)o2)C1 ZINC000377713714 337059340 /nfs/dbraw/zinc/05/93/40/337059340.db2.gz AKUKRIQPSWLMPE-DZGCQCFKSA-N -1 3 303.362 2.608 20 10 DFCDHM O=C1COc2c(NCc3cc(Cl)ccc3[O-])cccc2N1 ZINC000377764015 337060522 /nfs/dbraw/zinc/06/05/22/337060522.db2.gz ATHOPVUPEHHDHQ-UHFFFAOYSA-N -1 3 304.733 2.989 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCCN(c2cccnn2)CC1 ZINC000180078047 337173589 /nfs/dbraw/zinc/17/35/89/337173589.db2.gz NGSKTXVLGAOBML-UHFFFAOYSA-N -1 3 318.808 2.548 20 10 DFCDHM O=C(Nc1nnc(-c2ccsc2)s1)c1cccc(O)c1[O-] ZINC000187071757 337261696 /nfs/dbraw/zinc/26/16/96/337261696.db2.gz KLEKPTYGPLMZOP-UHFFFAOYSA-N -1 3 319.367 2.930 20 10 DFCDHM CCn1nncc1CN[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000527916685 337774669 /nfs/dbraw/zinc/77/46/69/337774669.db2.gz QJBDKCPDYTTWMB-VIFPVBQESA-N -1 3 314.311 2.873 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H](N(C)C)C2)c1[O-] ZINC000251710655 341419400 /nfs/dbraw/zinc/41/94/00/341419400.db2.gz JJZVPZZNOIMQNH-ZUZCIYMTSA-N -1 3 310.825 2.630 20 10 DFCDHM C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCN1CC(F)(F)F ZINC000180289209 524987163 /nfs/dbraw/zinc/98/71/63/524987163.db2.gz XZTIAOFQMAXEIG-SNVBAGLBSA-N -1 3 306.303 2.600 20 10 DFCDHM Cc1ccc(C(=O)N(C)C[C@@H](C)c2nccs2)c([O-])c1O ZINC000182528492 526058785 /nfs/dbraw/zinc/05/87/85/526058785.db2.gz DCEOXWMKGHHKQP-SNVBAGLBSA-N -1 3 306.387 2.738 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCCC2=O)c([O-])c1O ZINC000182581380 526106027 /nfs/dbraw/zinc/10/60/27/526106027.db2.gz HYMMMKQUFBGJAY-JSGCOSHPSA-N -1 3 317.385 2.770 20 10 DFCDHM Cc1ccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c([O-])c1O ZINC000182615633 526118057 /nfs/dbraw/zinc/11/80/57/526118057.db2.gz AXACQMIMHVDHJS-GFCCVEGCSA-N -1 3 319.382 2.681 20 10 DFCDHM [O-]c1cccc(Cl)c1CNCc1nnc2n1CCCCC2 ZINC000264989112 526365437 /nfs/dbraw/zinc/36/54/37/526365437.db2.gz WONHUTMAPUSCCB-UHFFFAOYSA-N -1 3 306.797 2.653 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000365939281 526770973 /nfs/dbraw/zinc/77/09/73/526770973.db2.gz ZUJLNYMEPTXMHI-ZDUSSCGKSA-N -1 3 317.316 2.530 20 10 DFCDHM O=C(c1cccs1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000179887151 526837813 /nfs/dbraw/zinc/83/78/13/526837813.db2.gz QSVUHEWXGIMKCY-UHFFFAOYSA-N -1 3 320.389 2.551 20 10 DFCDHM O=C(NC1CCN(Cc2cc(Cl)ccc2[O-])CC1)C1CC1 ZINC000179912734 527528707 /nfs/dbraw/zinc/52/87/07/527528707.db2.gz IDWADLOMXQIGBG-UHFFFAOYSA-N -1 3 308.809 2.536 20 10 DFCDHM CCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000818239976 597136914 /nfs/dbraw/zinc/13/69/14/597136914.db2.gz CWHSQJFEXDSSFY-UHFFFAOYSA-N -1 3 301.342 2.779 20 10 DFCDHM Cn1cnc2cc(NCc3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000822699289 607491236 /nfs/dbraw/zinc/49/12/36/607491236.db2.gz UWJNTZRJMJHYBN-UHFFFAOYSA-N -1 3 323.335 2.505 20 10 DFCDHM O=C([O-])N1CCC([N@H+](Cc2cc(F)ccc2[O-])C2CC2)CC1 ZINC000834080911 605562891 /nfs/dbraw/zinc/56/28/91/605562891.db2.gz CCIHGXLHGTXFJG-UHFFFAOYSA-N -1 3 308.353 2.638 20 10 DFCDHM O=C([O-])N1CCC([N@@H+](Cc2cc(F)ccc2[O-])C2CC2)CC1 ZINC000834080911 605562894 /nfs/dbraw/zinc/56/28/94/605562894.db2.gz CCIHGXLHGTXFJG-UHFFFAOYSA-N -1 3 308.353 2.638 20 10 DFCDHM CCOC(=O)CN(Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000079401522 185169131 /nfs/dbraw/zinc/16/91/31/185169131.db2.gz VNGMAKFVIFAIGY-UHFFFAOYSA-N -1 3 311.353 2.507 20 10 DFCDHM C[C@@H](O)C[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093482458 398639065 /nfs/dbraw/zinc/63/90/65/398639065.db2.gz PISQMPDBDQCNDO-BXKDBHETSA-N -1 3 314.769 2.689 20 10 DFCDHM COC(=O)CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000079435119 399045001 /nfs/dbraw/zinc/04/50/01/399045001.db2.gz SHKRIZNXFAHEJX-UHFFFAOYSA-N -1 3 311.353 2.507 20 10 DFCDHM COC(=O)CN(Cc1ccco1)Cc1cc(Cl)ccc1[O-] ZINC000093277048 193223841 /nfs/dbraw/zinc/22/38/41/193223841.db2.gz VFZOJYNXVSAKFE-UHFFFAOYSA-N -1 3 309.749 2.814 20 10 DFCDHM COCC[C@H](NC(=O)c1ccc(C)c(O)c1[O-])c1ccc(C)o1 ZINC000273002666 130081526 /nfs/dbraw/zinc/08/15/26/130081526.db2.gz OTKDAXRQRNOHFS-ZDUSSCGKSA-N -1 3 319.357 2.815 20 10 DFCDHM COc1cc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccn1 ZINC000273384959 130114404 /nfs/dbraw/zinc/11/44/04/130114404.db2.gz JGDQSQIRCXIVMR-SNVBAGLBSA-N -1 3 303.318 2.555 20 10 DFCDHM Cc1nn(C)cc1[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273615825 130145136 /nfs/dbraw/zinc/14/51/36/130145136.db2.gz XJDYUUILLKJOBV-VHSXEESVSA-N -1 3 304.350 2.754 20 10 DFCDHM C[S@](=O)C[C@H](NCc1cccc(F)c1[O-])c1ccccc1 ZINC000274176982 130214225 /nfs/dbraw/zinc/21/42/25/130214225.db2.gz CJNMZQVYONBPNS-BTYIYWSLSA-N -1 3 307.390 2.741 20 10 DFCDHM CC[C@@H]1C[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000286292923 131229297 /nfs/dbraw/zinc/22/92/97/131229297.db2.gz MNQJOHFGYBDBIW-BXKDBHETSA-N -1 3 308.765 2.608 20 10 DFCDHM CC[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)[S@@]1=O ZINC000289586387 131398886 /nfs/dbraw/zinc/39/88/86/131398886.db2.gz KFCQISRZVWWTDW-QQKBFRNYSA-N -1 3 301.839 2.777 20 10 DFCDHM CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273437617 285569668 /nfs/dbraw/zinc/56/96/68/285569668.db2.gz XOGSHISVBKUUKB-JGVFFNPUSA-N -1 3 305.205 2.874 20 10 DFCDHM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000182534630 286166367 /nfs/dbraw/zinc/16/63/67/286166367.db2.gz HWCAATBJMZPMPP-YVEFUNNKSA-N -1 3 307.390 2.682 20 10 DFCDHM CC(C)n1nccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1[O-] ZINC000109770527 426032550 /nfs/dbraw/zinc/03/25/50/426032550.db2.gz ODMVXFONCGUVSQ-CYBMUJFWSA-N -1 3 316.405 2.629 20 10 DFCDHM COc1ccc([N+](=O)[O-])cc1CN(C)Cc1ccccc1[O-] ZINC000109769592 426033202 /nfs/dbraw/zinc/03/32/02/426033202.db2.gz MZBOICVPNVCWKE-UHFFFAOYSA-N -1 3 302.330 2.941 20 10 DFCDHM CCCN(CC(=O)N(C)c1nccs1)Cc1ccccc1[O-] ZINC000111214368 426038824 /nfs/dbraw/zinc/03/88/24/426038824.db2.gz UKPCCWJFCRXOOF-UHFFFAOYSA-N -1 3 319.430 2.724 20 10 DFCDHM CN(CCCS(=O)(=O)c1ccccc1)Cc1ccccc1[O-] ZINC000171926505 426219101 /nfs/dbraw/zinc/21/91/01/426219101.db2.gz NQVPPUBIKMAETB-UHFFFAOYSA-N -1 3 319.426 2.688 20 10 DFCDHM COC(=O)CN(Cc1cccnc1)Cc1cc(Cl)ccc1[O-] ZINC000121232410 426327155 /nfs/dbraw/zinc/32/71/55/426327155.db2.gz RTCOYCMHONIOOA-UHFFFAOYSA-N -1 3 320.776 2.616 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCOC[C@@H]1C1CC1 ZINC000093645151 426357653 /nfs/dbraw/zinc/35/76/53/426357653.db2.gz ZSLPYIIICOUJOJ-CYBMUJFWSA-N -1 3 312.207 2.766 20 10 DFCDHM CCN(Cc1ccnn1C)Cc1cc(Br)ccc1[O-] ZINC000093866970 426359757 /nfs/dbraw/zinc/35/97/57/426359757.db2.gz AZJWLHVQMVJOFW-UHFFFAOYSA-N -1 3 324.222 2.910 20 10 DFCDHM Cc1cc(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1[O-] ZINC000280304322 426546386 /nfs/dbraw/zinc/54/63/86/426546386.db2.gz PBVJMKZYUQLSAO-WBMJQRKESA-N -1 3 311.809 2.734 20 10 DFCDHM COCCC1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000280536111 426595251 /nfs/dbraw/zinc/59/52/51/426595251.db2.gz SFAQGOAPLPXAGV-UHFFFAOYSA-N -1 3 307.390 2.815 20 10 DFCDHM CCNC(=O)OC[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000289674797 426671238 /nfs/dbraw/zinc/67/12/38/426671238.db2.gz ZHHBPYGBJYLXDP-ZDUSSCGKSA-N -1 3 310.369 2.632 20 10 DFCDHM CCCOc1ccc(CNCc2ncccc2N(C)C)c([O-])c1 ZINC000289681817 426672878 /nfs/dbraw/zinc/67/28/78/426672878.db2.gz CMENCDPKSNQXAY-UHFFFAOYSA-N -1 3 315.417 2.932 20 10 DFCDHM Cn1ncc(CN(Cc2ccccc2[O-])C2CCCCC2)n1 ZINC000290020032 426679573 /nfs/dbraw/zinc/67/95/73/426679573.db2.gz PFIQIIYPCKCKIL-UHFFFAOYSA-N -1 3 300.406 2.856 20 10 DFCDHM CC(C)(C)OC(=O)NCCNCc1c([O-])cccc1Cl ZINC000227600514 426628197 /nfs/dbraw/zinc/62/81/97/426628197.db2.gz UIECZJVZCFETJT-UHFFFAOYSA-N -1 3 300.786 2.660 20 10 DFCDHM C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)Cc1ccccc1[O-] ZINC000245792429 426771933 /nfs/dbraw/zinc/77/19/33/426771933.db2.gz CPNYRMNCKWGCNA-KFWWJZLASA-N -1 3 304.434 2.717 20 10 DFCDHM C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N(C)Cc1ccccc1[O-] ZINC000245819865 426773420 /nfs/dbraw/zinc/77/34/20/426773420.db2.gz UUFRWSXUKVITPV-YCPHGPKFSA-N -1 3 304.434 2.907 20 10 DFCDHM CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccccc1[O-] ZINC000179559486 426801617 /nfs/dbraw/zinc/80/16/17/426801617.db2.gz BWPUGOZHHLLNHE-UHFFFAOYSA-N -1 3 314.385 2.861 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000179586505 426805809 /nfs/dbraw/zinc/80/58/09/426805809.db2.gz ZKTYENABPWFFEU-PKOBYXMFSA-N -1 3 313.397 2.717 20 10 DFCDHM CC(C)c1nc2c(n1C)CCN(Cc1cc(F)ccc1[O-])C2 ZINC000180127623 426839018 /nfs/dbraw/zinc/83/90/18/426839018.db2.gz DDOIDDVSUFQKEL-UHFFFAOYSA-N -1 3 303.381 2.947 20 10 DFCDHM Cc1ccc(C(=O)N2CC(COc3ccccc3)C2)c([O-])c1O ZINC000291745516 426972585 /nfs/dbraw/zinc/97/25/85/426972585.db2.gz JOSGLFYJRQILMR-UHFFFAOYSA-N -1 3 313.353 2.557 20 10 DFCDHM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1O ZINC000276085633 426982449 /nfs/dbraw/zinc/98/24/49/426982449.db2.gz XOUNMZNWZVTVMA-GFCCVEGCSA-N -1 3 314.769 2.547 20 10 DFCDHM COc1cc(Cl)cc(CN2CC(O)(c3ccccc3)C2)c1[O-] ZINC000291616606 426928926 /nfs/dbraw/zinc/92/89/26/426928926.db2.gz RKCAZPNCTDWZGQ-UHFFFAOYSA-N -1 3 319.788 2.758 20 10 DFCDHM CCn1cc([C@@H]2CN(Cc3c([O-])cccc3Cl)CCO2)cn1 ZINC000276788675 427120189 /nfs/dbraw/zinc/12/01/89/427120189.db2.gz KRXWEVMNQUMCCX-INIZCTEOSA-N -1 3 321.808 2.836 20 10 DFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1CC1CCC1 ZINC000277158026 427138962 /nfs/dbraw/zinc/13/89/62/427138962.db2.gz BHONOQPUENNZGK-UHFFFAOYSA-N -1 3 308.765 2.610 20 10 DFCDHM CCC(CC)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277153132 427139145 /nfs/dbraw/zinc/13/91/45/427139145.db2.gz AXJVSFOQJOUMDP-UHFFFAOYSA-N -1 3 310.781 2.998 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000269810969 427282139 /nfs/dbraw/zinc/28/21/39/427282139.db2.gz OTGBFGYRNURKFP-YGRLFVJLSA-N -1 3 311.809 2.984 20 10 DFCDHM CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCS1 ZINC000278223390 427423597 /nfs/dbraw/zinc/42/35/97/427423597.db2.gz LRZZCNFHAGORCT-NSHDSACASA-N -1 3 312.391 2.636 20 10 DFCDHM C[C@@H](NCc1nnc2n1CCCCC2)c1cc(F)ccc1[O-] ZINC000184878413 427557439 /nfs/dbraw/zinc/55/74/39/427557439.db2.gz ANBFYBRDLRIIQH-LLVKDONJSA-N -1 3 304.369 2.700 20 10 DFCDHM CC(=O)c1cc(F)cc(CN[C@H](CCO)c2ccccc2)c1[O-] ZINC000271817030 427583108 /nfs/dbraw/zinc/58/31/08/427583108.db2.gz VDIPVXPCXSZHIV-QGZVFWFLSA-N -1 3 317.360 2.947 20 10 DFCDHM NC(=O)c1cccc(CN(Cc2cccc(F)c2[O-])C2CC2)c1 ZINC000294749610 427650791 /nfs/dbraw/zinc/65/07/91/427650791.db2.gz IBBBJUMYTYGIMB-UHFFFAOYSA-N -1 3 314.360 2.795 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCOC2(C1)CCCCCC2 ZINC000193136298 427671154 /nfs/dbraw/zinc/67/11/54/427671154.db2.gz VSSMOIAKODZIRQ-UHFFFAOYSA-N -1 3 305.374 2.663 20 10 DFCDHM O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)c1cccc(O)c1[O-] ZINC000193164606 427675778 /nfs/dbraw/zinc/67/57/78/427675778.db2.gz RHSJFYSQFPTWGS-CZUORRHYSA-N -1 3 313.353 2.748 20 10 DFCDHM CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1[O-] ZINC000185682487 427690373 /nfs/dbraw/zinc/69/03/73/427690373.db2.gz BXCVKEKLSQETQK-GXFFZTMASA-N -1 3 304.369 2.871 20 10 DFCDHM CS[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000295129609 427704814 /nfs/dbraw/zinc/70/48/14/427704814.db2.gz XUNXBSQVUAUASI-JTQLQIEISA-N -1 3 302.783 2.891 20 10 DFCDHM COc1cccc([C@@H]2C[C@H](O)CN2Cc2cccc(F)c2[O-])c1 ZINC000374361992 428676772 /nfs/dbraw/zinc/67/67/72/428676772.db2.gz YIJXFUBOUPZSBE-YOEHRIQHSA-N -1 3 317.360 2.848 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@H](c2nnc[nH]2)C1 ZINC000364506764 429215752 /nfs/dbraw/zinc/21/57/52/429215752.db2.gz RQMMSWQEDMSNPT-VIFPVBQESA-N -1 3 310.760 2.682 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCO[C@@H](c2nncn2CC)C1 ZINC000365524454 429334715 /nfs/dbraw/zinc/33/47/15/429334715.db2.gz ANBZNZZTVALIOT-GOEBONIOSA-N -1 3 316.405 2.528 20 10 DFCDHM CCN1CCc2c(cccc2NC(=O)c2cccc(O)c2[O-])C1 ZINC000366156827 429426962 /nfs/dbraw/zinc/42/69/62/429426962.db2.gz KPTYEOLYUHQCTE-UHFFFAOYSA-N -1 3 312.369 2.728 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@]23CCOC3)c1[O-] ZINC000367047363 429566316 /nfs/dbraw/zinc/56/63/16/429566316.db2.gz IIRWOAPRWVLQKZ-AWEZNQCLSA-N -1 3 312.753 2.709 20 10 DFCDHM Cn1ccnc1[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000367702076 429702525 /nfs/dbraw/zinc/70/25/25/429702525.db2.gz LXQVCOCTYWFRIH-JTQLQIEISA-N -1 3 309.772 2.908 20 10 DFCDHM C[C@H]1CCOCCN1Cc1cc(Br)ccc1[O-] ZINC000368131130 429793268 /nfs/dbraw/zinc/79/32/68/429793268.db2.gz JQUGJMVPFOYIAZ-JTQLQIEISA-N -1 3 300.196 2.766 20 10 DFCDHM C[C@@H]1CCOCCN1Cc1cc(Br)ccc1[O-] ZINC000368131131 429793781 /nfs/dbraw/zinc/79/37/81/429793781.db2.gz JQUGJMVPFOYIAZ-SNVBAGLBSA-N -1 3 300.196 2.766 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nc[nH]n2)c1[O-] ZINC000182703618 277106071 /nfs/dbraw/zinc/10/60/71/277106071.db2.gz ARQBBKMHOBTSRC-AWEZNQCLSA-N -1 3 318.352 2.579 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCC[C@H]2c2nnc[nH]2)c1[O-] ZINC000182703618 277106075 /nfs/dbraw/zinc/10/60/75/277106075.db2.gz ARQBBKMHOBTSRC-AWEZNQCLSA-N -1 3 318.352 2.579 20 10 DFCDHM CC(C)NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184896216 279580018 /nfs/dbraw/zinc/58/00/18/279580018.db2.gz BCRDVHBXTXVHFH-MRVPVSSYSA-N -1 3 305.205 2.874 20 10 DFCDHM CC[C@H](N[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1[O-] ZINC000363753926 332240038 /nfs/dbraw/zinc/24/00/38/332240038.db2.gz VYFFXLSJVHBGGO-GJZGRUSLSA-N -1 3 317.410 2.962 20 10 DFCDHM CC(C)C[C@H]1C(=O)NCCCN1Cc1cccc(Cl)c1[O-] ZINC000293616062 335110278 /nfs/dbraw/zinc/11/02/78/335110278.db2.gz KKBBRWGKJWYXTO-AWEZNQCLSA-N -1 3 310.825 2.782 20 10 DFCDHM CC(C)(CO)[C@H](NCc1cccc(F)c1[O-])c1cccnc1 ZINC000293518571 335111462 /nfs/dbraw/zinc/11/14/62/335111462.db2.gz ATUUYXANECEIOD-MRXNPFEDSA-N -1 3 304.365 2.776 20 10 DFCDHM Cc1nnnn1-c1cccc(NCc2cc(Cl)ccc2[O-])c1 ZINC000122452144 333395649 /nfs/dbraw/zinc/39/56/49/333395649.db2.gz OLUWUIZMIUVZQL-UHFFFAOYSA-N -1 3 315.764 2.942 20 10 DFCDHM COc1ccccc1CN(CCO)Cc1cccc(F)c1[O-] ZINC000272333687 334033021 /nfs/dbraw/zinc/03/30/21/334033021.db2.gz WYTPKYCFYCWGQX-UHFFFAOYSA-N -1 3 305.349 2.534 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)Nc2ccc(CCO)cc2)c1 ZINC000273459284 334047024 /nfs/dbraw/zinc/04/70/24/334047024.db2.gz HTPWULOIBXAQAC-LBPRGKRZSA-N -1 3 315.369 2.887 20 10 DFCDHM O=C(NCCCCOCc1ccccc1)c1cccc(O)c1[O-] ZINC000192993710 336286753 /nfs/dbraw/zinc/28/67/53/336286753.db2.gz MUJRDVDEVAGBMH-UHFFFAOYSA-N -1 3 315.369 2.825 20 10 DFCDHM CCc1nnc([C@H]2CN([C@@H](CC)c3ccccc3[O-])CCO2)o1 ZINC000377669251 337057911 /nfs/dbraw/zinc/05/79/11/337057911.db2.gz DINLEWHDXMJCEF-DZGCQCFKSA-N -1 3 317.389 2.862 20 10 DFCDHM CO[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000378631932 337077082 /nfs/dbraw/zinc/07/70/82/337077082.db2.gz ITGHTHKHXANXQB-LBPRGKRZSA-N -1 3 314.769 2.955 20 10 DFCDHM CC(C)Cn1cnnc1[C@@H]1CCCN1Cc1ccccc1[O-] ZINC000360042934 337084405 /nfs/dbraw/zinc/08/44/05/337084405.db2.gz ZITDZIRLKYOBBD-HNNXBMFYSA-N -1 3 300.406 2.977 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000175588617 337148203 /nfs/dbraw/zinc/14/82/03/337148203.db2.gz FKZCKUNFJZCNNU-LBPRGKRZSA-N -1 3 317.364 2.837 20 10 DFCDHM CCCO[C@@H]1CCCN(C(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000179487882 337169704 /nfs/dbraw/zinc/16/97/04/337169704.db2.gz NWNIVXQDLNYTBG-CYBMUJFWSA-N -1 3 307.390 2.828 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cccc2nn[n-]c21 ZINC000525942558 337289933 /nfs/dbraw/zinc/28/99/33/337289933.db2.gz DLNCHIMZDRAJPR-UHFFFAOYSA-N -1 3 319.368 2.688 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cccc2[n-]nnc21 ZINC000525942558 337289934 /nfs/dbraw/zinc/28/99/34/337289934.db2.gz DLNCHIMZDRAJPR-UHFFFAOYSA-N -1 3 319.368 2.688 20 10 DFCDHM Cc1c2ccccc2n(C)c1CNC(=O)c1cccc2n[n-]nc21 ZINC000525942558 337289935 /nfs/dbraw/zinc/28/99/35/337289935.db2.gz DLNCHIMZDRAJPR-UHFFFAOYSA-N -1 3 319.368 2.688 20 10 DFCDHM COC(=O)[C@@]1(C)CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191423021 337296846 /nfs/dbraw/zinc/29/68/46/337296846.db2.gz JKQNHDLOFYQQOL-AWEZNQCLSA-N -1 3 301.745 2.570 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC[C@@H](Cn2ccnn2)C1 ZINC000191449973 337297037 /nfs/dbraw/zinc/29/70/37/337297037.db2.gz VOWCVBZVEWPOQA-LLVKDONJSA-N -1 3 324.787 2.688 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN1CCC(Cn2ccnn2)CC1 ZINC000191451484 337297123 /nfs/dbraw/zinc/29/71/23/337297123.db2.gz OILMKJJVUMBVEW-UHFFFAOYSA-N -1 3 324.787 2.688 20 10 DFCDHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCc1cc(Cl)ccc1[O-] ZINC000528277254 337799484 /nfs/dbraw/zinc/79/94/84/337799484.db2.gz PGWPXKFDIWCBHF-QOBXEIRBSA-N -1 3 312.797 2.657 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367445726 518287165 /nfs/dbraw/zinc/28/71/65/518287165.db2.gz AJJSJKAOUZPTQN-KRWDZBQOSA-N -1 3 307.365 2.736 20 10 DFCDHM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C12CCC2 ZINC000182817920 520341360 /nfs/dbraw/zinc/34/13/60/520341360.db2.gz CAOGALWHRYSXNM-ZIAGYGMSSA-N -1 3 319.401 2.826 20 10 DFCDHM C[C@@H]1CO[C@@H](C)CN1Cc1cc(Br)ccc1[O-] ZINC000132191566 525151752 /nfs/dbraw/zinc/15/17/52/525151752.db2.gz NFLDLAVFWREDCA-ZJUUUORDSA-N -1 3 300.196 2.764 20 10 DFCDHM C[C@@H](c1cccnc1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180155978 526122508 /nfs/dbraw/zinc/12/25/08/526122508.db2.gz OIIOWLKSYHNFHM-AWEZNQCLSA-N -1 3 315.392 2.805 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1[C@@H]2CC[C@H]1CC(O)C2 ZINC000126511337 526342447 /nfs/dbraw/zinc/34/24/47/526342447.db2.gz PUWLOCJUUSLQNH-FUNVUKJBSA-N -1 3 312.207 2.642 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCN(c2ccccc2O)CC1 ZINC000179869814 526348024 /nfs/dbraw/zinc/34/80/24/526348024.db2.gz IYMPGASPIPYQKP-UHFFFAOYSA-N -1 3 302.349 2.559 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCN(c2ccccn2)CC1 ZINC000158894996 526362512 /nfs/dbraw/zinc/36/25/12/526362512.db2.gz VHZZLMRFQGDZEK-UHFFFAOYSA-N -1 3 303.793 2.763 20 10 DFCDHM O=C1CCCN1C1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180053823 526973596 /nfs/dbraw/zinc/97/35/96/526973596.db2.gz FQMRCACCGDIXLC-UHFFFAOYSA-N -1 3 308.809 2.632 20 10 DFCDHM CN(C)c1ccc(CNCc2ccc(NC(=O)[O-])nc2)cc1 ZINC000828068548 603533230 /nfs/dbraw/zinc/53/32/30/603533230.db2.gz SCELSPGLQHZSKJ-UHFFFAOYSA-N -1 3 300.362 2.527 20 10 DFCDHM CN(Cc1cc2c(cc1O)CCC2)c1ccccc1-c1nnn[n-]1 ZINC000825953777 607847397 /nfs/dbraw/zinc/84/73/97/607847397.db2.gz PRLVWXSVGZURFF-UHFFFAOYSA-N -1 3 321.384 2.697 20 10 DFCDHM CN(Cc1cc2c(cc1O)CCC2)c1ccccc1-c1nn[n-]n1 ZINC000825953777 607847398 /nfs/dbraw/zinc/84/73/98/607847398.db2.gz PRLVWXSVGZURFF-UHFFFAOYSA-N -1 3 321.384 2.697 20 10 DFCDHM COC(=O)N1CC(N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186137794 291181589 /nfs/dbraw/zinc/18/15/89/291181589.db2.gz IVKDOBVUGGPFPD-ZETCQYMHSA-N -1 3 319.188 2.800 20 10 DFCDHM C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187781683 299299826 /nfs/dbraw/zinc/29/98/26/299299826.db2.gz PEKFMUNAJGYQTQ-VIFPVBQESA-N -1 3 321.389 2.534 20 10 DFCDHM CCCOc1ccc(CN2CCOC3(CCOCC3)C2)c([O-])c1 ZINC000091895850 193123968 /nfs/dbraw/zinc/12/39/68/193123968.db2.gz WOPUXRKVKBVUIX-UHFFFAOYSA-N -1 3 321.417 2.562 20 10 DFCDHM C[C@H](O)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092969735 193190691 /nfs/dbraw/zinc/19/06/91/193190691.db2.gz HPHZOHWJBVSLBW-VIFPVBQESA-N -1 3 314.769 2.547 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)c([O-])c1O ZINC000272955798 130077100 /nfs/dbraw/zinc/07/71/00/130077100.db2.gz IWIUZSPRQMGZCJ-YPMHNXCESA-N -1 3 307.390 2.730 20 10 DFCDHM CCc1nn(C)cc1N[C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000273541981 130133916 /nfs/dbraw/zinc/13/39/16/130133916.db2.gz YIUAUQJUNMOIOP-SNVBAGLBSA-N -1 3 303.362 2.648 20 10 DFCDHM COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccccc2[O-])cc1 ZINC000109772983 426032764 /nfs/dbraw/zinc/03/27/64/426032764.db2.gz ZEGXYCGBCPTIOG-ZDUSSCGKSA-N -1 3 314.385 2.860 20 10 DFCDHM C[C@H](C(=O)NCc1ccccc1F)N(C)Cc1ccccc1[O-] ZINC000109773699 426032836 /nfs/dbraw/zinc/03/28/36/426032836.db2.gz YXUMGTQYKMYPCA-CYBMUJFWSA-N -1 3 316.376 2.668 20 10 DFCDHM CCN(Cc1c([O-])cccc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000126375407 426017263 /nfs/dbraw/zinc/01/72/63/426017263.db2.gz VASOKRUCOGTVRS-NSHDSACASA-N -1 3 319.854 2.691 20 10 DFCDHM CCN(Cc1c([O-])cccc1Cl)[C@H](C)CS(=O)(=O)CC ZINC000126375650 426017549 /nfs/dbraw/zinc/01/75/49/426017549.db2.gz VASOKRUCOGTVRS-LLVKDONJSA-N -1 3 319.854 2.691 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCCN(C(=O)C3CC3)CC2)c1[O-] ZINC000119113323 426263625 /nfs/dbraw/zinc/26/36/25/426263625.db2.gz LFIBZFPUFDCCHO-UHFFFAOYSA-N -1 3 322.836 2.798 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCN(C3CC3)CC2)c1[O-] ZINC000177177003 426451641 /nfs/dbraw/zinc/45/16/41/426451641.db2.gz XCMHRVMICLFPHB-UHFFFAOYSA-N -1 3 322.836 2.918 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCC[C@@](C)(O)CC2)c1[O-] ZINC000230359476 426647610 /nfs/dbraw/zinc/64/76/10/426647610.db2.gz XHKBUMDXBLXTSE-MRXNPFEDSA-N -1 3 311.809 2.985 20 10 DFCDHM CCO[C@@H]1C[C@H](N(C)C(=O)c2cccc(O)c2[O-])C12CCCC2 ZINC000187120100 426630932 /nfs/dbraw/zinc/63/09/32/426630932.db2.gz AMROWCRIKOWZKE-LSDHHAIUSA-N -1 3 319.401 2.908 20 10 DFCDHM Cc1ccc(C(=O)NCc2ccc(OC(C)C)nc2)c([O-])c1O ZINC000179433025 426790052 /nfs/dbraw/zinc/79/00/52/426790052.db2.gz OKUYBVOONTYTKS-UHFFFAOYSA-N -1 3 316.357 2.518 20 10 DFCDHM Cc1cc(Br)cc(CN(C)Cc2cnn(C)c2)c1[O-] ZINC000179601673 426804686 /nfs/dbraw/zinc/80/46/86/426804686.db2.gz RHFNORVNXJQCSV-UHFFFAOYSA-N -1 3 324.222 2.829 20 10 DFCDHM C[C@@H]1CN(C2CCN(Cc3cccc(Cl)c3[O-])CC2)CCO1 ZINC000179785229 426816785 /nfs/dbraw/zinc/81/67/85/426816785.db2.gz SAPSIDLVHFCHRF-CYBMUJFWSA-N -1 3 324.852 2.731 20 10 DFCDHM CCCCN(Cc1nnc(CC)n1C)Cc1ccccc1[O-] ZINC000282441751 426915171 /nfs/dbraw/zinc/91/51/71/426915171.db2.gz KZEUGWQPKOWPRV-UHFFFAOYSA-N -1 3 302.422 2.885 20 10 DFCDHM CCCCN(Cc1nc(N(C)C)no1)Cc1ccccc1[O-] ZINC000282461860 426915931 /nfs/dbraw/zinc/91/59/31/426915931.db2.gz MWMGNOOYWRAPGM-UHFFFAOYSA-N -1 3 304.394 2.644 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CC[C@@H](n2cccn2)C1 ZINC000291189840 426879984 /nfs/dbraw/zinc/87/99/84/426879984.db2.gz GMEDHWKJRGRYBK-CYBMUJFWSA-N -1 3 322.206 2.798 20 10 DFCDHM Cc1cc(Cl)cc(CNCc2ncnn2C(C)(C)C)c1[O-] ZINC000282788724 426926221 /nfs/dbraw/zinc/92/62/21/426926221.db2.gz RAIAOHSTYXSNGY-UHFFFAOYSA-N -1 3 308.813 2.990 20 10 DFCDHM CCCCN(Cc1nnnn1C1CC1)Cc1ccccc1[O-] ZINC000282421779 426909943 /nfs/dbraw/zinc/90/99/43/426909943.db2.gz JJGNSRLYCTXWFJ-UHFFFAOYSA-N -1 3 301.394 2.516 20 10 DFCDHM CCc1nc(C)c(CN[C@H](C)c2cc(C(=O)OC)ccc2[O-])o1 ZINC000291899817 427019883 /nfs/dbraw/zinc/01/98/83/427019883.db2.gz LMQWKDCFKGWARS-SNVBAGLBSA-N -1 3 318.373 2.888 20 10 DFCDHM Cc1ccc(C(=O)N2CCS[C@H]3CCCC[C@H]32)c([O-])c1O ZINC000182579631 427102051 /nfs/dbraw/zinc/10/20/51/427102051.db2.gz OOTGYJPTYYQNJI-OLZOCXBDSA-N -1 3 307.415 2.906 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H](C3CCC3)C2)c1[O-] ZINC000292177445 427120220 /nfs/dbraw/zinc/12/02/20/427120220.db2.gz QCODZWBBMKEZRF-HNNXBMFYSA-N -1 3 321.392 2.982 20 10 DFCDHM COC[C@H]1CCN1Cc1cc(Br)cc(C)c1[O-] ZINC000293678774 427404172 /nfs/dbraw/zinc/40/41/72/427404172.db2.gz PNANYVADMRVCTJ-GFCCVEGCSA-N -1 3 300.196 2.684 20 10 DFCDHM C[C@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2n1CCC2 ZINC000293716350 427414715 /nfs/dbraw/zinc/41/47/15/427414715.db2.gz VFWQANOLSGBUCP-QMMMGPOBSA-N -1 3 310.760 2.573 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278133648 427416998 /nfs/dbraw/zinc/41/69/98/427416998.db2.gz CMJIMQZBUISDBS-GXFFZTMASA-N -1 3 307.287 2.667 20 10 DFCDHM COc1c([O-])c(CN2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166039 427425490 /nfs/dbraw/zinc/42/54/90/427425490.db2.gz FEXZGDJMBXNNAX-ZJUUUORDSA-N -1 3 312.391 2.635 20 10 DFCDHM CCCCCN(CC(N)=O)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184744252 427529717 /nfs/dbraw/zinc/52/97/17/427529717.db2.gz NZHGZFDGSNOLNF-UHFFFAOYSA-N -1 3 314.813 2.532 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000271441591 427537720 /nfs/dbraw/zinc/53/77/20/427537720.db2.gz RZOUJMIADILHMD-HOCLYGCPSA-N -1 3 319.426 2.778 20 10 DFCDHM O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)c1cccc(O)c1[O-] ZINC000193007682 427649815 /nfs/dbraw/zinc/64/98/15/427649815.db2.gz OIQVSKJCZLEZCM-HZPDHXFCSA-N -1 3 313.353 2.748 20 10 DFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@H](c2ccccc2)CO1 ZINC000185767580 427704166 /nfs/dbraw/zinc/70/41/66/427704166.db2.gz IXNYEKLCQJZOTO-DOMZBBRYSA-N -1 3 313.353 2.700 20 10 DFCDHM CC[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@]2(CCCOC2)O1 ZINC000369879108 428082163 /nfs/dbraw/zinc/08/21/63/428082163.db2.gz XCUIXCQLWAEMAZ-WBVHZDCISA-N -1 3 309.381 2.691 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H](CO)C2)c1[O-] ZINC000370207854 428157396 /nfs/dbraw/zinc/15/73/96/428157396.db2.gz NGKCNOFHUUEGPG-GFCCVEGCSA-N -1 3 311.809 2.843 20 10 DFCDHM Nc1nccc([C@H]2CCCN(Cc3c([O-])cccc3Cl)C2)n1 ZINC000377691103 428195202 /nfs/dbraw/zinc/19/52/02/428195202.db2.gz HGLUFBYUYQPGHN-NSHDSACASA-N -1 3 318.808 2.797 20 10 DFCDHM Cc1nc(C)n(C[C@@H]2CCCN2Cc2cc(Cl)ccc2[O-])n1 ZINC000371415692 428387832 /nfs/dbraw/zinc/38/78/32/428387832.db2.gz CZXVORWVVQDOIO-HNNXBMFYSA-N -1 3 320.824 2.919 20 10 DFCDHM [O-]c1ccccc1CN1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000374891936 428778218 /nfs/dbraw/zinc/77/82/18/428778218.db2.gz HDHGPBVRFXVORN-CJNGLKHVSA-N -1 3 305.324 2.978 20 10 DFCDHM CCc1noc([C@H]2C[C@H](O)CN2[C@H](CC)c2ccccc2[O-])n1 ZINC000368040704 429773598 /nfs/dbraw/zinc/77/35/98/429773598.db2.gz SMXAVGUJJPVHPZ-IACUBPJLSA-N -1 3 317.389 2.597 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCc2ncnc(N(C)C)c2C1 ZINC000368824249 429896465 /nfs/dbraw/zinc/89/64/65/429896465.db2.gz KYFUEUUABITYOL-INIZCTEOSA-N -1 3 312.417 2.758 20 10 DFCDHM C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC2(CCOCC2)O1 ZINC000369128841 429914622 /nfs/dbraw/zinc/91/46/22/429914622.db2.gz YOINOWBUDWULBS-LBPRGKRZSA-N -1 3 311.809 2.816 20 10 DFCDHM CC(C)n1ncc2c1[C@@H](NC(=O)c1cccc(O)c1[O-])CCC2 ZINC000365777594 278145955 /nfs/dbraw/zinc/14/59/55/278145955.db2.gz BBSBCBSOWYSQKK-ZDUSSCGKSA-N -1 3 315.373 2.683 20 10 DFCDHM Cc1c(/C=C/C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cnn1C ZINC000186262645 280196930 /nfs/dbraw/zinc/19/69/30/280196930.db2.gz VVEIJQAVLOUEAO-ABZNLYFFSA-N -1 3 311.385 2.988 20 10 DFCDHM CCc1nc2n(n1)CCC[C@H]2NCc1cc(Cl)c(F)cc1[O-] ZINC000293768778 281525443 /nfs/dbraw/zinc/52/54/43/281525443.db2.gz ZSERHRGRKFFBGV-GFCCVEGCSA-N -1 3 324.787 2.963 20 10 DFCDHM CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)cc1[O-] ZINC000185682467 288634386 /nfs/dbraw/zinc/63/43/86/288634386.db2.gz BXCVKEKLSQETQK-GWCFXTLKSA-N -1 3 304.369 2.871 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC2(CCOCC2)O1 ZINC000280444170 297031757 /nfs/dbraw/zinc/03/17/57/297031757.db2.gz KREGBCFSTXQKJO-GFCCVEGCSA-N -1 3 311.809 2.816 20 10 DFCDHM CC[C@@H](NCc1cc(Cl)c(F)cc1[O-])[C@@H](O)C(F)(F)F ZINC000293520556 335111295 /nfs/dbraw/zinc/11/12/95/335111295.db2.gz CYXLMOUNKVQCBG-MWLCHTKSSA-N -1 3 315.694 2.976 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@@H](O)CC1 ZINC000293868419 335115552 /nfs/dbraw/zinc/11/55/52/335115552.db2.gz CLALQMKCMSSXHH-GFCCVEGCSA-N -1 3 300.196 2.502 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1COc2ccccc2[C@H]1O ZINC000293780952 335117277 /nfs/dbraw/zinc/11/72/77/335117277.db2.gz BUVHZCBQVBBATJ-XJKSGUPXSA-N -1 3 323.751 2.769 20 10 DFCDHM CC(C)c1nc([C@H](C)N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000273466466 334047606 /nfs/dbraw/zinc/04/76/06/334047606.db2.gz IYVMKYMXEBBSTL-UWVGGRQHSA-N -1 3 319.365 2.954 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c([O-])c1O ZINC000366892674 335309612 /nfs/dbraw/zinc/30/96/12/335309612.db2.gz KUUHGABIHCTURI-BPLDGKMQSA-N -1 3 319.401 2.562 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CC([C@@H]2CCOC2)C1 ZINC000368442568 336844800 /nfs/dbraw/zinc/84/48/00/336844800.db2.gz POKVZWFCVHBKEN-SNVBAGLBSA-N -1 3 312.207 2.623 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCC(OC[C@H]2CCCO2)CC1 ZINC000369851802 336873112 /nfs/dbraw/zinc/87/31/12/336873112.db2.gz LABWAIFFEMCIIO-OAHLLOKOSA-N -1 3 309.381 2.691 20 10 DFCDHM CC[C@H]1CN(Cc2cccc(F)c2[O-])C[C@]2(CCCOC2)O1 ZINC000376441113 337033532 /nfs/dbraw/zinc/03/35/32/337033532.db2.gz ITPTZICYBITODZ-YOEHRIQHSA-N -1 3 309.381 2.691 20 10 DFCDHM COCCn1cc2c(n1)[C@H](NCc1cccc(F)c1[O-])CCC2 ZINC000376614000 337038113 /nfs/dbraw/zinc/03/81/13/337038113.db2.gz CJKPANCOERGBPZ-OAHLLOKOSA-N -1 3 319.380 2.541 20 10 DFCDHM CCc1nnc([C@H]2CN([C@H](CC)c3ccccc3[O-])CCO2)o1 ZINC000377669253 337057937 /nfs/dbraw/zinc/05/79/37/337057937.db2.gz DINLEWHDXMJCEF-UKRRQHHQSA-N -1 3 317.389 2.862 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1Cc2ccccc2[C@@H]1O ZINC000191086282 337293657 /nfs/dbraw/zinc/29/36/57/337293657.db2.gz ZFBUDFLKNVWLKO-CJNGLKHVSA-N -1 3 307.752 2.933 20 10 DFCDHM [O-]c1ccc(Cl)cc1CN1CCC[C@H](NCc2cc[nH]n2)C1 ZINC000113359143 337391084 /nfs/dbraw/zinc/39/10/84/337391084.db2.gz DUSCTXFXAXCTOJ-HNNXBMFYSA-N -1 3 320.824 2.523 20 10 DFCDHM O=C(/C=C\c1cncc([O-])c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000492524013 339902992 /nfs/dbraw/zinc/90/29/92/339902992.db2.gz ZBRNRXMNAVTBEI-ZPIQOJFGSA-N -1 3 321.380 2.816 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2[C@H](C)CC(O)C[C@@H]2C)c1[O-] ZINC000191137470 518278734 /nfs/dbraw/zinc/27/87/34/518278734.db2.gz UUJZCKJZJIBZCP-XFLKPENQSA-N -1 3 311.809 2.982 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000365110164 518279977 /nfs/dbraw/zinc/27/99/77/518279977.db2.gz PFYNYARZCRVIKT-INIZCTEOSA-N -1 3 309.793 2.595 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@]3(O)CCCC[C@H]3C2)c1[O-] ZINC000248034645 518286545 /nfs/dbraw/zinc/28/65/45/518286545.db2.gz RGGIDXCLQGTJDU-KBXCAEBGSA-N -1 3 321.392 2.861 20 10 DFCDHM CCCCCN1CC(=O)N[C@H]1c1ccc(OCCC)cc1[O-] ZINC000182333241 520179528 /nfs/dbraw/zinc/17/95/28/520179528.db2.gz ZNUGCHOVBBMJOH-QGZVFWFLSA-N -1 3 306.406 2.802 20 10 DFCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)C=C(C)C ZINC000181589759 523164371 /nfs/dbraw/zinc/16/43/71/523164371.db2.gz IUKCDTADTAIGER-UHFFFAOYSA-N -1 3 311.765 2.513 20 10 DFCDHM CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H]1CCCO1 ZINC000128024030 523171594 /nfs/dbraw/zinc/17/15/94/523171594.db2.gz NZQPEYFBKVSUKK-NSHDSACASA-N -1 3 300.742 2.565 20 10 DFCDHM Cc1cc(Cl)cc(CN(CCS(C)(=O)=O)C(C)C)c1[O-] ZINC000180500290 524861505 /nfs/dbraw/zinc/86/15/05/524861505.db2.gz GXZRACSUFKJWFN-UHFFFAOYSA-N -1 3 319.854 2.609 20 10 DFCDHM Cc1ccc(C(=O)N(C)C[C@H](C)c2nccs2)c([O-])c1O ZINC000182528513 526060311 /nfs/dbraw/zinc/06/03/11/526060311.db2.gz DCEOXWMKGHHKQP-JTQLQIEISA-N -1 3 306.387 2.738 20 10 DFCDHM Cc1ccc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c([O-])c1O ZINC000182600651 526209435 /nfs/dbraw/zinc/20/94/35/526209435.db2.gz BMBXEQNFLDQXDC-IUODEOHRSA-N -1 3 315.369 2.648 20 10 DFCDHM O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cccc(O)c1[O-] ZINC000365652626 526619484 /nfs/dbraw/zinc/61/94/84/526619484.db2.gz HJZOGWCXQPMLED-CZUORRHYSA-N -1 3 313.353 2.748 20 10 DFCDHM O=C([O-])NC[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740643247 601915912 /nfs/dbraw/zinc/91/59/12/601915912.db2.gz ODRGYTYQQPUSEG-LBPRGKRZSA-N -1 3 300.358 2.635 20 10 DFCDHM O=C([O-])NC[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000740643247 601915915 /nfs/dbraw/zinc/91/59/15/601915915.db2.gz ODRGYTYQQPUSEG-LBPRGKRZSA-N -1 3 300.358 2.635 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000834106328 605563057 /nfs/dbraw/zinc/56/30/57/605563057.db2.gz JCQATXLTXJUFDK-DZGCQCFKSA-N -1 3 304.390 2.747 20 10 DFCDHM O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000834106328 605563059 /nfs/dbraw/zinc/56/30/59/605563059.db2.gz JCQATXLTXJUFDK-DZGCQCFKSA-N -1 3 304.390 2.747 20 10 DFCDHM COc1ccc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000821828611 606882390 /nfs/dbraw/zinc/88/23/90/606882390.db2.gz ZVOZRXZAVAFLHI-UHFFFAOYSA-N -1 3 313.336 2.651 20 10 DFCDHM COc1ccc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000821828611 606882391 /nfs/dbraw/zinc/88/23/91/606882391.db2.gz ZVOZRXZAVAFLHI-UHFFFAOYSA-N -1 3 313.336 2.651 20 10 DFCDHM CCCN(Cc1c(C)nn(C)c1OC)Cc1ccccc1[O-] ZINC000092705014 185334108 /nfs/dbraw/zinc/33/41/08/185334108.db2.gz POZYTYSXWATDNT-UHFFFAOYSA-N -1 3 303.406 2.855 20 10 DFCDHM C[C@H](N[C@@H]1COc2ccccc2[C@@H]1O)c1ccc(F)c(F)c1[O-] ZINC000290207511 299398056 /nfs/dbraw/zinc/39/80/56/299398056.db2.gz HCEJAWIRVHYIJB-VAHXTSCQSA-N -1 3 321.323 2.816 20 10 DFCDHM O=[N+]([O-])c1ccc([O-])c(CN[C@H]2CCc3c2cccc3O)c1 ZINC000105486823 194106669 /nfs/dbraw/zinc/10/66/69/194106669.db2.gz OGJUDXZXRGIFEH-AWEZNQCLSA-N -1 3 300.314 2.783 20 10 DFCDHM C[C@@H](c1cccnc1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272323236 130020470 /nfs/dbraw/zinc/02/04/70/130020470.db2.gz UTFQXUPHNCUBNC-AWEZNQCLSA-N -1 3 315.392 2.805 20 10 DFCDHM [O-]c1cccc(Cl)c1CN1CCN(Cc2cccnc2)CC1 ZINC000272717817 130057036 /nfs/dbraw/zinc/05/70/36/130057036.db2.gz DUANHUSRZXFTBE-UHFFFAOYSA-N -1 3 317.820 2.758 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC(F)F)c1[O-] ZINC000286659003 131244877 /nfs/dbraw/zinc/24/48/77/131244877.db2.gz ZSVJADNLXJIKSV-LBPRGKRZSA-N -1 3 317.307 2.590 20 10 DFCDHM Cc1cc(Br)cc(CN2CCOC[C@H]2C)c1[O-] ZINC000124547805 425925715 /nfs/dbraw/zinc/92/57/15/425925715.db2.gz MEJPAYVUEIIDCG-SNVBAGLBSA-N -1 3 300.196 2.684 20 10 DFCDHM C[C@@H](C(=O)NCc1ccccc1F)N(C)Cc1ccccc1[O-] ZINC000109773698 426032751 /nfs/dbraw/zinc/03/27/51/426032751.db2.gz YXUMGTQYKMYPCA-ZDUSSCGKSA-N -1 3 316.376 2.668 20 10 DFCDHM COC(=O)CN(Cc1cc(C)on1)Cc1cc(Cl)ccc1[O-] ZINC000111238345 426039241 /nfs/dbraw/zinc/03/92/41/426039241.db2.gz XDSAUYWCICVTKH-UHFFFAOYSA-N -1 3 324.764 2.517 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)[C@H](C)OC ZINC000075417045 426072623 /nfs/dbraw/zinc/07/26/23/426072623.db2.gz SVSZFXHBMQBROL-VIFPVBQESA-N -1 3 316.195 2.538 20 10 DFCDHM CCCN(CC(=O)Nc1c(C)n[nH]c1C)Cc1ccccc1[O-] ZINC000114717528 426143901 /nfs/dbraw/zinc/14/39/01/426143901.db2.gz OISXGHMEJOJQFB-UHFFFAOYSA-N -1 3 316.405 2.583 20 10 DFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])C[C@@H](c2ccccc2)O1 ZINC000187019102 426619822 /nfs/dbraw/zinc/61/98/22/426619822.db2.gz PKRBKGRBZAJTRY-LRDDRELGSA-N -1 3 313.353 2.700 20 10 DFCDHM CCCOc1ccc(CN2CCO[C@@]3(CCCOC3)C2)c([O-])c1 ZINC000289662662 426670261 /nfs/dbraw/zinc/67/02/61/426670261.db2.gz YRGPBNMGNYAENT-SFHVURJKSA-N -1 3 321.417 2.562 20 10 DFCDHM CC(C)c1nc(CCNC(=O)c2cccc(O)c2[O-])cs1 ZINC000187064618 426626947 /nfs/dbraw/zinc/62/69/47/426626947.db2.gz QXVDKRJYZGSIRM-UHFFFAOYSA-N -1 3 306.387 2.650 20 10 DFCDHM CC1=C(Br)CN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000281889869 426785451 /nfs/dbraw/zinc/78/54/51/426785451.db2.gz SUWZRPMXVPYWLF-UHFFFAOYSA-N -1 3 312.163 2.613 20 10 DFCDHM [O-]c1c(F)cccc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281890934 426786177 /nfs/dbraw/zinc/78/61/77/426786177.db2.gz YDBPLRWQUKSUHU-GOEBONIOSA-N -1 3 305.324 2.978 20 10 DFCDHM CCOCc1nc([C@H](C)N[C@@H](C)c2cc(F)ccc2[O-])no1 ZINC000290280669 426731701 /nfs/dbraw/zinc/73/17/01/426731701.db2.gz XDEHCMPCZPOACT-UWVGGRQHSA-N -1 3 309.341 2.863 20 10 DFCDHM CC(C)S(=O)(=O)CCN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000290327988 426743013 /nfs/dbraw/zinc/74/30/13/426743013.db2.gz OTFBKNNWHPPQBK-JTQLQIEISA-N -1 3 305.827 2.519 20 10 DFCDHM CCc1nc(CN2CCN(Cc3ccccc3[O-])CC2)cs1 ZINC000179563510 426802447 /nfs/dbraw/zinc/80/24/47/426802447.db2.gz IENIDIMGNWRRPZ-UHFFFAOYSA-N -1 3 317.458 2.729 20 10 DFCDHM CCCCN(Cc1nc(COC)no1)Cc1ccccc1[O-] ZINC000282555733 426917349 /nfs/dbraw/zinc/91/73/49/426917349.db2.gz XQLOGUOTPCWKNA-UHFFFAOYSA-N -1 3 305.378 2.724 20 10 DFCDHM CCCCN(CCS(=O)(=O)C(C)C)Cc1ccccc1[O-] ZINC000282542288 426919663 /nfs/dbraw/zinc/91/96/63/426919663.db2.gz WDKJHLBIBGWCGP-UHFFFAOYSA-N -1 3 313.463 2.818 20 10 DFCDHM CC1(C)CN(Cc2cc(Br)ccc2[O-])CC[C@@H]1O ZINC000276011727 426966018 /nfs/dbraw/zinc/96/60/18/426966018.db2.gz PYXACGLDQRCGJD-ZDUSSCGKSA-N -1 3 314.223 2.748 20 10 DFCDHM O=C1CN(Cc2cc(Cl)ccc2[O-])C(=O)N1[C@H]1CC=CCC1 ZINC000277151333 427137308 /nfs/dbraw/zinc/13/73/08/427137308.db2.gz APQNXVYBASNKQX-ZDUSSCGKSA-N -1 3 320.776 2.919 20 10 DFCDHM O=C(NC1CCN(Cc2c([O-])cccc2Cl)CC1)C1CC1 ZINC000271032960 427378662 /nfs/dbraw/zinc/37/86/62/427378662.db2.gz IHRKMRWISLWUMH-UHFFFAOYSA-N -1 3 308.809 2.536 20 10 DFCDHM COCCCOCCN(C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293607057 427379903 /nfs/dbraw/zinc/37/99/03/427379903.db2.gz LOPJUWQYEABPDC-UHFFFAOYSA-N -1 3 305.777 2.670 20 10 DFCDHM Cc1nn2c(CN(C)Cc3ccccc3[O-])c(C)nc2s1 ZINC000271137963 427413035 /nfs/dbraw/zinc/41/30/35/427413035.db2.gz STGYZMUPWGVBMF-UHFFFAOYSA-N -1 3 302.403 2.745 20 10 DFCDHM [O-]c1cccc(Cl)c1CNc1ncn(CC(F)(F)F)n1 ZINC000278719188 427447997 /nfs/dbraw/zinc/44/79/97/427447997.db2.gz PMULEAJMFDDXFV-UHFFFAOYSA-N -1 3 306.675 2.812 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN(C)CCc2cnccn2)c1[O-] ZINC000271292899 427485383 /nfs/dbraw/zinc/48/53/83/427485383.db2.gz CPKOLGMTQASOHT-UHFFFAOYSA-N -1 3 319.792 2.713 20 10 DFCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1NC(=O)OC(C)(C)C ZINC000278325696 427430477 /nfs/dbraw/zinc/43/04/77/427430477.db2.gz GORBUXQHYNWTPT-SMDDNHRTSA-N -1 3 324.396 2.876 20 10 DFCDHM CC1(C)CN(CC(F)(F)F)CCN1Cc1ccccc1[O-] ZINC000184798509 427543550 /nfs/dbraw/zinc/54/35/50/427543550.db2.gz KSNMZZUYDQAIAH-UHFFFAOYSA-N -1 3 302.340 2.851 20 10 DFCDHM C[C@H](NCc1nnc2n1CCCCC2)c1cc(F)ccc1[O-] ZINC000184878392 427557935 /nfs/dbraw/zinc/55/79/35/427557935.db2.gz ANBFYBRDLRIIQH-NSHDSACASA-N -1 3 304.369 2.700 20 10 DFCDHM COC(=O)[C@@H](C)NCc1ccc(OCc2ccccc2)cc1[O-] ZINC000193097566 427665328 /nfs/dbraw/zinc/66/53/28/427665328.db2.gz PLOUSXWCFVORGG-CYBMUJFWSA-N -1 3 315.369 2.622 20 10 DFCDHM O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)c1cccc(O)c1[O-] ZINC000193007646 427648736 /nfs/dbraw/zinc/64/87/36/427648736.db2.gz OIQVSKJCZLEZCM-HOTGVXAUSA-N -1 3 313.353 2.748 20 10 DFCDHM [O-]c1cc(OCc2ccccc2)ccc1CNCC(F)(F)CO ZINC000185661045 427685676 /nfs/dbraw/zinc/68/56/76/427685676.db2.gz UHQIQBCLLNBVQY-UHFFFAOYSA-N -1 3 323.339 2.688 20 10 DFCDHM Cc1c(NCc2cc(F)ccc2[O-])cnn1C1CCOCC1 ZINC000295106922 427695032 /nfs/dbraw/zinc/69/50/32/427695032.db2.gz LDMUMVHQYFAWRZ-UHFFFAOYSA-N -1 3 305.353 3.000 20 10 DFCDHM C[C@H](N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1[O-] ZINC000185812861 427711608 /nfs/dbraw/zinc/71/16/08/427711608.db2.gz XWLVSPJZHMMGGD-LRDDRELGSA-N -1 3 314.360 2.987 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000279717107 427714975 /nfs/dbraw/zinc/71/49/75/427714975.db2.gz UDFKIQSHPRNRJK-BLLLJJGKSA-N -1 3 311.809 2.734 20 10 DFCDHM [O-]c1c(Cl)cccc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000362047332 428614101 /nfs/dbraw/zinc/61/41/01/428614101.db2.gz RARSVUYBAJZJGW-CYBMUJFWSA-N -1 3 312.866 2.669 20 10 DFCDHM Nc1nccc([C@@H]2CCCN(Cc3cccc(Cl)c3[O-])C2)n1 ZINC000375074413 428798176 /nfs/dbraw/zinc/79/81/76/428798176.db2.gz LTIODAXISCXSQB-LLVKDONJSA-N -1 3 318.808 2.797 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1C[C@H](OC)C[C@@H]1c1nc(C)no1 ZINC000367359678 429629664 /nfs/dbraw/zinc/62/96/64/429629664.db2.gz AOBHJNLDQDTSJN-BPLDGKMQSA-N -1 3 317.389 2.997 20 10 DFCDHM O=C1COc2c(NCc3c([O-])cccc3Cl)cccc2N1 ZINC000368069144 429779238 /nfs/dbraw/zinc/77/92/38/429779238.db2.gz DXEUKHOROOPYIY-UHFFFAOYSA-N -1 3 304.733 2.989 20 10 DFCDHM COCCC1CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000528574907 429900322 /nfs/dbraw/zinc/90/03/22/429900322.db2.gz UOQHIWCYLVRXOZ-UHFFFAOYSA-N -1 3 309.381 2.982 20 10 DFCDHM CC[C@H]1c2cccn2CCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000364696086 276673678 /nfs/dbraw/zinc/67/36/78/276673678.db2.gz AVFDLYVLNIKBPI-ZDUSSCGKSA-N -1 3 300.358 2.815 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000368586790 429870875 /nfs/dbraw/zinc/87/08/75/429870875.db2.gz ZPFYARURNSKXHX-IAGOWNOFSA-N -1 3 310.397 2.756 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1Cc2ccccc2C[C@H]1C(N)=O ZINC000368586792 429871620 /nfs/dbraw/zinc/87/16/20/429871620.db2.gz ZPFYARURNSKXHX-SJORKVTESA-N -1 3 310.397 2.756 20 10 DFCDHM CC(C)(CO)[C@@H](NCc1cccc(F)c1[O-])c1cccnc1 ZINC000293518566 335111465 /nfs/dbraw/zinc/11/14/65/335111465.db2.gz ATUUYXANECEIOD-INIZCTEOSA-N -1 3 304.365 2.776 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@H]1COc2ccccc2[C@@H]1O ZINC000293780944 335117085 /nfs/dbraw/zinc/11/70/85/335117085.db2.gz BUVHZCBQVBBATJ-BBRMVZONSA-N -1 3 323.751 2.769 20 10 DFCDHM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])C(=O)NCc1ccccc1 ZINC000185183994 333205289 /nfs/dbraw/zinc/20/52/89/333205289.db2.gz WBFXDVZQHPZIHJ-QWHCGFSZSA-N -1 3 316.376 2.887 20 10 DFCDHM C[C@H](N[C@H]1CCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000296464213 335142277 /nfs/dbraw/zinc/14/22/77/335142277.db2.gz NJVOYWYSXZRNLJ-CPCISQLKSA-N -1 3 303.189 2.628 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2c(C)noc2C)c1 ZINC000273409091 334046263 /nfs/dbraw/zinc/04/62/63/334046263.db2.gz PGCZGHLLKSEGCZ-SECBINFHSA-N -1 3 304.346 2.634 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)c1[O-] ZINC000279243821 334107108 /nfs/dbraw/zinc/10/71/08/334107108.db2.gz GHQDZHPPSHHPPX-QLJPJBMISA-N -1 3 307.365 2.733 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2ccco2)c1[O-] ZINC000370168306 336879062 /nfs/dbraw/zinc/87/90/62/336879062.db2.gz CCGDEKILZSFKIH-HNNXBMFYSA-N -1 3 319.332 2.900 20 10 DFCDHM [O-]c1c(Cl)cccc1CNc1cnccc1-n1ccnn1 ZINC000377687691 337058302 /nfs/dbraw/zinc/05/83/02/337058302.db2.gz APDYFYKJKUHFPO-UHFFFAOYSA-N -1 3 301.737 2.633 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)c([O-])c1O ZINC000179500135 337169833 /nfs/dbraw/zinc/16/98/33/337169833.db2.gz GQVSMPVTMAJQSW-NSHDSACASA-N -1 3 318.398 2.883 20 10 DFCDHM O=C1NCCN(Cc2ccccc2[O-])[C@H]1c1ccccc1Cl ZINC000183215380 337192251 /nfs/dbraw/zinc/19/22/51/337192251.db2.gz CLWOGCWIUNRYEQ-INIZCTEOSA-N -1 3 316.788 2.719 20 10 DFCDHM Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1Cc1ccccc1[O-] ZINC000185624404 337249635 /nfs/dbraw/zinc/24/96/35/337249635.db2.gz QWOVXPVEMZTRIY-QGZVFWFLSA-N -1 3 314.360 2.513 20 10 DFCDHM COc1cncc(/C=C/C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000492490539 339902145 /nfs/dbraw/zinc/90/21/45/339902145.db2.gz OJRUVORUNUHSDM-BQYQJAHWSA-N -1 3 310.353 2.788 20 10 DFCDHM CCC1(CO)CCN(Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000127983024 519844447 /nfs/dbraw/zinc/84/44/47/519844447.db2.gz UMIPYYJRHCLBLX-UHFFFAOYSA-N -1 3 309.381 2.718 20 10 DFCDHM CCCC(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000179932416 519876361 /nfs/dbraw/zinc/87/63/61/519876361.db2.gz FWRITDWSKTUUEK-ZDUSSCGKSA-N -1 3 310.825 2.926 20 10 DFCDHM CCCOc1ccc(CNCc2ccc(C(=O)OC)o2)c([O-])c1 ZINC000265113436 520368930 /nfs/dbraw/zinc/36/89/30/520368930.db2.gz BRQMCTVPULGYAA-UHFFFAOYSA-N -1 3 319.357 2.850 20 10 DFCDHM C[C@H](C[S@](C)=O)N(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131036916 524673217 /nfs/dbraw/zinc/67/32/17/524673217.db2.gz WSYOWRGUROYKIP-NTCNTBNZSA-N -1 3 310.246 2.898 20 10 DFCDHM Cc1cc(Cl)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1[O-] ZINC000180406563 524866465 /nfs/dbraw/zinc/86/64/65/524866465.db2.gz KSGYRXBZKQUVGH-GFCCVEGCSA-N -1 3 309.715 2.853 20 10 DFCDHM Cc1ccc(C(=O)N2CCC[C@H]2c2nccs2)c([O-])c1O ZINC000364256403 526107694 /nfs/dbraw/zinc/10/76/94/526107694.db2.gz UQOOZHCEPKGEBW-NSHDSACASA-N -1 3 304.371 2.840 20 10 DFCDHM Cc1ccc(C(=O)N2CCOC3(CCCCC3)C2)c([O-])c1O ZINC000182513419 526116034 /nfs/dbraw/zinc/11/60/34/526116034.db2.gz QNFHDUMVAQTTRK-UHFFFAOYSA-N -1 3 305.374 2.582 20 10 DFCDHM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000317690923 600703015 /nfs/dbraw/zinc/70/30/15/600703015.db2.gz JIBQOJGITOBSKD-ZDUSSCGKSA-N -1 3 317.410 2.938 20 10 DFCDHM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000317690923 600703017 /nfs/dbraw/zinc/70/30/17/600703017.db2.gz JIBQOJGITOBSKD-ZDUSSCGKSA-N -1 3 317.410 2.938 20 10 DFCDHM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c([O-])ccc2ccccc21 ZINC000317690922 600703078 /nfs/dbraw/zinc/70/30/78/600703078.db2.gz JIBQOJGITOBSKD-CYBMUJFWSA-N -1 3 317.410 2.938 20 10 DFCDHM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1c([O-])ccc2ccccc21 ZINC000317690922 600703079 /nfs/dbraw/zinc/70/30/79/600703079.db2.gz JIBQOJGITOBSKD-CYBMUJFWSA-N -1 3 317.410 2.938 20 10 DFCDHM CN1CCCc2cc(CNCc3ccoc3C(=O)[O-])ccc21 ZINC000833697518 605086697 /nfs/dbraw/zinc/08/66/97/605086697.db2.gz MUFZKBCCUALYRB-UHFFFAOYSA-N -1 3 300.358 2.650 20 10 DFCDHM O=C([O-])N[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000834189305 605569610 /nfs/dbraw/zinc/56/96/10/605569610.db2.gz JWUNSWWVJACBSM-INIZCTEOSA-N -1 3 312.369 2.901 20 10 DFCDHM O=C([O-])N[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000834189305 605569611 /nfs/dbraw/zinc/56/96/11/605569611.db2.gz JWUNSWWVJACBSM-INIZCTEOSA-N -1 3 312.369 2.901 20 10 DFCDHM C[C@@H](NCc1cc(F)ccc1[O-])c1nnc2n1CCCCC2 ZINC000361051004 398642174 /nfs/dbraw/zinc/64/21/74/398642174.db2.gz JDQDHDBKHSCVDP-LLVKDONJSA-N -1 3 304.369 2.700 20 10 DFCDHM CC(C)C(=O)NCCN(C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092104146 193159514 /nfs/dbraw/zinc/15/95/14/193159514.db2.gz HFMRZNCTOGVBBB-UHFFFAOYSA-N -1 3 319.232 2.903 20 10 DFCDHM C[C@@H](N[C@@H](C)c1ccc(F)c(F)c1[O-])C(=O)NC(C)(C)C ZINC000187675407 296150380 /nfs/dbraw/zinc/15/03/80/296150380.db2.gz WRAPQLVDRXNQCV-DTWKUNHWSA-N -1 3 300.349 2.624 20 10 DFCDHM C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366811530 335019516 /nfs/dbraw/zinc/01/95/16/335019516.db2.gz RAPPCNYAZHFOEM-PBFPGSCMSA-N -1 3 309.381 2.690 20 10 DFCDHM C[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)c1cccc(O)c1[O-] ZINC000296122455 297347368 /nfs/dbraw/zinc/34/73/68/297347368.db2.gz OIWOXXBWGJWPBD-RKDXNWHRSA-N -1 3 303.280 2.901 20 10 DFCDHM CN(Cc1cccc(F)c1[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000272256659 130013555 /nfs/dbraw/zinc/01/35/55/130013555.db2.gz JJXRGKRREOWHAU-MRXNPFEDSA-N -1 3 314.360 2.769 20 10 DFCDHM [O-]c1c(F)cccc1CN1CCN(c2ccccc2O)CC1 ZINC000272320805 130020015 /nfs/dbraw/zinc/02/00/15/130020015.db2.gz UFSFLAIAOWGXJF-UHFFFAOYSA-N -1 3 302.349 2.559 20 10 DFCDHM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c([O-])c1O ZINC000272921594 130074981 /nfs/dbraw/zinc/07/49/81/130074981.db2.gz FFQDPVLWAXRJCS-OLZOCXBDSA-N -1 3 307.390 2.730 20 10 DFCDHM CC(=O)c1cc(F)cc(CN[C@H](C)c2nnc(C)s2)c1[O-] ZINC000273594947 130141309 /nfs/dbraw/zinc/14/13/09/130141309.db2.gz KAFBEBGSUKTZPV-SSDOTTSWSA-N -1 3 309.366 2.745 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](N3CCCC3)C2)c1[O-] ZINC000102827310 425929587 /nfs/dbraw/zinc/92/95/87/425929587.db2.gz SNYVGSFHELLQTH-OAHLLOKOSA-N -1 3 322.836 2.918 20 10 DFCDHM CC(C)n1nccc1NC(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109770529 426032560 /nfs/dbraw/zinc/03/25/60/426032560.db2.gz ODMVXFONCGUVSQ-ZDUSSCGKSA-N -1 3 316.405 2.629 20 10 DFCDHM CCOC[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093838867 426358472 /nfs/dbraw/zinc/35/84/72/426358472.db2.gz GPOFDWBUQYJREB-JTQLQIEISA-N -1 3 314.769 2.812 20 10 DFCDHM CCN(Cc1cncn1C)Cc1cc(Br)ccc1[O-] ZINC000177174681 426450280 /nfs/dbraw/zinc/45/02/80/426450280.db2.gz DGYDGDPVYNAHEH-UHFFFAOYSA-N -1 3 324.222 2.910 20 10 DFCDHM C[C@H](C(=O)NCC1CCCCC1)N(C)Cc1ccccc1[O-] ZINC000264610933 426575645 /nfs/dbraw/zinc/57/56/45/426575645.db2.gz NNVQBRMSUSBCIM-CQSZACIVSA-N -1 3 304.434 2.909 20 10 DFCDHM CC[C@H](C)N(CC(=O)OC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000281289889 426710071 /nfs/dbraw/zinc/71/00/71/426710071.db2.gz JEQWZGSBJNBALR-JTQLQIEISA-N -1 3 311.353 2.507 20 10 DFCDHM CC(=O)SCCCCCCNC(=O)c1cccc(O)c1[O-] ZINC000281761087 426761780 /nfs/dbraw/zinc/76/17/80/426761780.db2.gz ZSZVBLCLPRIIAJ-UHFFFAOYSA-N -1 3 311.403 2.668 20 10 DFCDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000179513236 426797446 /nfs/dbraw/zinc/79/74/46/426797446.db2.gz PQEAQDRTZVJRMO-OLZOCXBDSA-N -1 3 307.390 2.682 20 10 DFCDHM CO[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)C1 ZINC000282247143 426862662 /nfs/dbraw/zinc/86/26/62/426862662.db2.gz JJJGIZXKQJBZKC-JOYOIKCWSA-N -1 3 314.769 2.953 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC[C@H](C2OCCO2)C1 ZINC000295323269 426907327 /nfs/dbraw/zinc/90/73/27/426907327.db2.gz LKYVZMPECANGHB-JTQLQIEISA-N -1 3 315.772 2.770 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC[C@H]1COc1ccccc1 ZINC000295488368 426979526 /nfs/dbraw/zinc/97/95/26/426979526.db2.gz DWXVBVVSKIMZJU-ZDUSSCGKSA-N -1 3 313.353 2.781 20 10 DFCDHM CCn1cc([C@H](C)N[C@@H](C)c2cc(C(=O)OC)ccc2[O-])cn1 ZINC000296040958 427054930 /nfs/dbraw/zinc/05/49/30/427054930.db2.gz UJHNDVIECNWVFE-RYUDHWBXSA-N -1 3 317.389 2.807 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000292877729 427204240 /nfs/dbraw/zinc/20/42/40/427204240.db2.gz XQYDHSMOTQPXPA-OAHLLOKOSA-N -1 3 307.365 2.613 20 10 DFCDHM Cc1cc(Br)cc(CN2CC3(C2)CCOC3)c1[O-] ZINC000293862120 427469655 /nfs/dbraw/zinc/46/96/55/427469655.db2.gz CBJYKULKPAYAPO-UHFFFAOYSA-N -1 3 312.207 2.685 20 10 DFCDHM CCCOc1ccc(CN[C@H](CCO)c2ccco2)c([O-])c1 ZINC000184504087 427474910 /nfs/dbraw/zinc/47/49/10/427474910.db2.gz UYEPHIHLTKVXDA-OAHLLOKOSA-N -1 3 305.374 2.987 20 10 DFCDHM COc1c([O-])c(CN2CCS[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166027 427425341 /nfs/dbraw/zinc/42/53/41/427425341.db2.gz FEXZGDJMBXNNAX-NXEZZACHSA-N -1 3 312.391 2.635 20 10 DFCDHM CC[C@H](O)CN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC000193142813 427672674 /nfs/dbraw/zinc/67/26/74/427672674.db2.gz LMOJEINFIDJSLZ-AWEZNQCLSA-N -1 3 315.369 2.511 20 10 DFCDHM O=C(NC1(c2nccs2)CCCC1)c1cccc(O)c1[O-] ZINC000185672507 427688984 /nfs/dbraw/zinc/68/89/84/427688984.db2.gz RQRYGTHIVVBSHD-UHFFFAOYSA-N -1 3 304.371 2.754 20 10 DFCDHM C[C@@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](c2ccccc2)CO1 ZINC000185767618 427703576 /nfs/dbraw/zinc/70/35/76/427703576.db2.gz IXNYEKLCQJZOTO-IUODEOHRSA-N -1 3 313.353 2.700 20 10 DFCDHM CCC[C@@]1(COC)CCCN1C(=O)c1ccc(C)c(O)c1[O-] ZINC000193762481 427712273 /nfs/dbraw/zinc/71/22/73/427712273.db2.gz XLONKONELMSQBD-KRWDZBQOSA-N -1 3 307.390 2.828 20 10 DFCDHM Cc1cc(Cl)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000279717113 427715538 /nfs/dbraw/zinc/71/55/38/427715538.db2.gz UDFKIQSHPRNRJK-MLGOLLRUSA-N -1 3 311.809 2.734 20 10 DFCDHM Cc1nc(C)n([C@@H]2CCCN(Cc3cccc(F)c3[O-])C2)n1 ZINC000373144207 428520806 /nfs/dbraw/zinc/52/08/06/428520806.db2.gz ZBEQUXDYZUIMAI-CQSZACIVSA-N -1 3 304.369 2.577 20 10 DFCDHM CC[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@]2(CCOC2)O1 ZINC000373493049 428591224 /nfs/dbraw/zinc/59/12/24/428591224.db2.gz GYZFOJKWPWWJFE-CJNGLKHVSA-N -1 3 311.809 2.816 20 10 DFCDHM Cc1nc2c(s1)CCC[C@H]2CNC(=O)c1cccc(O)c1[O-] ZINC000364567088 429225686 /nfs/dbraw/zinc/22/56/86/429225686.db2.gz JHYPKSRVIDENFH-JTQLQIEISA-N -1 3 318.398 2.713 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC([C@@H]3CCOC3)CC2)c1[O-] ZINC000364663510 429245515 /nfs/dbraw/zinc/24/55/15/429245515.db2.gz VYDOKPSFAMLUTC-CQSZACIVSA-N -1 3 321.392 2.982 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](c2ccc(F)cc2)C1 ZINC000365928909 429405579 /nfs/dbraw/zinc/40/55/79/429405579.db2.gz GKSSJUUQFCFECG-LBPRGKRZSA-N -1 3 301.317 2.867 20 10 DFCDHM C[C@H]1OCC[C@@]12CN(Cc1cc(Cl)ccc1[O-])C[C@@H](C)O2 ZINC000365751451 429367465 /nfs/dbraw/zinc/36/74/65/429367465.db2.gz CETDPMYZDWRYQJ-XHBSWPGZSA-N -1 3 311.809 2.814 20 10 DFCDHM Cc1ccc(C(=O)NCC2(c3ccccn3)CCC2)c([O-])c1O ZINC000367339921 429625736 /nfs/dbraw/zinc/62/57/36/429625736.db2.gz RAMPAQVHVRHURS-UHFFFAOYSA-N -1 3 312.369 2.653 20 10 DFCDHM Cc1nc([C@H]2CCCCN2Cc2cc3c(cc2[O-])OCO3)no1 ZINC000367474336 429656333 /nfs/dbraw/zinc/65/63/33/429656333.db2.gz FHAKXGQMMLAEHU-GFCCVEGCSA-N -1 3 317.345 2.540 20 10 DFCDHM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C1(C)C ZINC000182534647 294139859 /nfs/dbraw/zinc/13/98/59/294139859.db2.gz HWCAATBJMZPMPP-PXAZEXFGSA-N -1 3 307.390 2.682 20 10 DFCDHM C[C@H]1CN(C(=O)c2cccc(O)c2[O-])[C@@H](c2ccccc2)CO1 ZINC000185767635 300198011 /nfs/dbraw/zinc/19/80/11/300198011.db2.gz IXNYEKLCQJZOTO-SWLSCSKDSA-N -1 3 313.353 2.700 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN(CCCO)Cc1ccccn1 ZINC000293948668 335116112 /nfs/dbraw/zinc/11/61/12/335116112.db2.gz OWGJTLUWBGJIBT-UHFFFAOYSA-N -1 3 324.783 2.964 20 10 DFCDHM C[C@@H](N[C@H]1CCCNC1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000296464215 335142297 /nfs/dbraw/zinc/14/22/97/335142297.db2.gz NJVOYWYSXZRNLJ-HQJQHLMTSA-N -1 3 303.189 2.628 20 10 DFCDHM O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(Cl)ccc1[O-] ZINC000375470990 337011822 /nfs/dbraw/zinc/01/18/22/337011822.db2.gz RNTRCJSFTLHFSN-UONOGXRCSA-N -1 3 309.793 2.616 20 10 DFCDHM O=[N+]([O-])c1cc(Cl)cc(CN2CCCC[C@H](CO)C2)c1[O-] ZINC000377244467 337049235 /nfs/dbraw/zinc/04/92/35/337049235.db2.gz XHTLDBQMHUDHNW-JTQLQIEISA-N -1 3 314.769 2.548 20 10 DFCDHM CC[C@@H](c1ccccc1[O-])N1CCOC[C@H]1c1noc(C)n1 ZINC000377548082 337054943 /nfs/dbraw/zinc/05/49/43/337054943.db2.gz FKDOVVRAHFNTLP-KBPBESRZSA-N -1 3 303.362 2.608 20 10 DFCDHM CC[C@H](c1ccccc1[O-])N1CCc2ccccc2[C@@H]1C(N)=O ZINC000377659823 337057793 /nfs/dbraw/zinc/05/77/93/337057793.db2.gz QQUQRDHFYXLCFA-SJLPKXTDSA-N -1 3 310.397 2.928 20 10 DFCDHM C[C@H]1CN(Cc2cccc(F)c2[O-])c2ccccc2C(=O)N1 ZINC000378127826 337066799 /nfs/dbraw/zinc/06/67/99/337066799.db2.gz MZTOWTZFVPSARK-NSHDSACASA-N -1 3 300.333 2.670 20 10 DFCDHM CN1Cc2ccccc2[C@@H](NCc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000378266343 337069043 /nfs/dbraw/zinc/06/90/43/337069043.db2.gz ALOIZFULSPUJDO-INIZCTEOSA-N -1 3 313.357 2.577 20 10 DFCDHM C[C@H]1CN(C2CCN(Cc3cccc(Cl)c3[O-])CC2)CCO1 ZINC000179785247 337171790 /nfs/dbraw/zinc/17/17/90/337171790.db2.gz SAPSIDLVHFCHRF-ZDUSSCGKSA-N -1 3 324.852 2.731 20 10 DFCDHM CC[C@H](NCc1nnc2n1CCCCC2)c1ccccc1[O-] ZINC000183315218 337192845 /nfs/dbraw/zinc/19/28/45/337192845.db2.gz CIMXDHORYFWAQB-AWEZNQCLSA-N -1 3 300.406 2.951 20 10 DFCDHM Cc1nnc(-c2cccc(NC(=O)c3cccc(O)c3[O-])c2)o1 ZINC000187137722 337262852 /nfs/dbraw/zinc/26/28/52/337262852.db2.gz TWOICMIOYSYGLW-UHFFFAOYSA-N -1 3 311.297 2.709 20 10 DFCDHM Cc1noc([C@@H]2COCCN2Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000188484445 337273669 /nfs/dbraw/zinc/27/36/69/337273669.db2.gz PTHKRESQSMOEBJ-ZDUSSCGKSA-N -1 3 323.780 2.619 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@@H]1c2ccccc2C[C@H]1O ZINC000191303265 337295735 /nfs/dbraw/zinc/29/57/35/337295735.db2.gz CCHQTSGNHSHLTB-GDBMZVCRSA-N -1 3 307.752 2.933 20 10 DFCDHM [O-]c1ccc(Cl)c(F)c1CN[C@H]1c2ccccc2C[C@@H]1O ZINC000191303286 337295781 /nfs/dbraw/zinc/29/57/81/337295781.db2.gz CCHQTSGNHSHLTB-HOCLYGCPSA-N -1 3 307.752 2.933 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC[C@H]2c2noc(C)n2)c1[O-] ZINC000364207104 518285384 /nfs/dbraw/zinc/28/53/84/518285384.db2.gz IZPBKBYCGIHIQW-AWEZNQCLSA-N -1 3 319.336 2.762 20 10 DFCDHM CCC(CC)[C@H]1C[C@@H](NC(=O)c2cccc(O)c2[O-])CCO1 ZINC000193154650 521623337 /nfs/dbraw/zinc/62/33/37/521623337.db2.gz WMOCMEDXEGKUPT-SWLSCSKDSA-N -1 3 307.390 2.811 20 10 DFCDHM COc1ccc(CN(C(=O)c2cccc(O)c2[O-])C2CC2)cc1 ZINC000186792703 523990746 /nfs/dbraw/zinc/99/07/46/523990746.db2.gz JYANVLYGJBWMTB-UHFFFAOYSA-N -1 3 313.353 2.911 20 10 DFCDHM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(O)cc1[O-] ZINC000181961454 526680537 /nfs/dbraw/zinc/68/05/37/526680537.db2.gz XHZRFTLSVLLJJF-UHFFFAOYSA-N -1 3 312.369 2.628 20 10 DFCDHM O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C1CCC1 ZINC000158111250 526892196 /nfs/dbraw/zinc/89/21/96/526892196.db2.gz UXIYZPIZDBYOBR-OAHLLOKOSA-N -1 3 322.836 2.926 20 10 DFCDHM CCCN(Cc1ccccc1[O-])[C@H](C(=O)OC)C1(OC)CCC1 ZINC000297582404 528147300 /nfs/dbraw/zinc/14/73/00/528147300.db2.gz DPYLIBNDXAINHG-MRXNPFEDSA-N -1 3 321.417 2.715 20 10 DFCDHM CO[C@H](C)c1nc(CNC(=O)c2ccc(C)c(O)c2[O-])cs1 ZINC000272744307 536512857 /nfs/dbraw/zinc/51/28/57/536512857.db2.gz MSLKRRGSGSKWTG-SECBINFHSA-N -1 3 322.386 2.500 20 10 DFCDHM CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cccc(F)c1[O-] ZINC000284522121 536624061 /nfs/dbraw/zinc/62/40/61/536624061.db2.gz DXFDLVMSOCDZAS-FVQBIDKESA-N -1 3 309.381 2.547 20 10 DFCDHM Cc1cc(Br)c(O)c(CN2CCC[C@H]2C(=O)[O-])c1 ZINC000820949323 597713675 /nfs/dbraw/zinc/71/36/75/597713675.db2.gz OVPPNQKTUOZHTB-NSHDSACASA-N -1 3 314.179 2.512 20 10 DFCDHM C[N@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC000737448592 600143140 /nfs/dbraw/zinc/14/31/40/600143140.db2.gz FANHOUIVBMMQHF-UHFFFAOYSA-N -1 3 301.342 2.601 20 10 DFCDHM C[N@@H+](CCOc1cccc(C(=O)[O-])c1)Cc1ccccc1[O-] ZINC000737448592 600143141 /nfs/dbraw/zinc/14/31/41/600143141.db2.gz FANHOUIVBMMQHF-UHFFFAOYSA-N -1 3 301.342 2.601 20 10 DFCDHM COc1ccc([C@H](NCc2ccc3c(c2)CCO3)C(=O)[O-])cc1 ZINC000737972387 600313378 /nfs/dbraw/zinc/31/33/78/600313378.db2.gz VUPQKZVFGMTOLK-KRWDZBQOSA-N -1 3 313.353 2.546 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)c2c1 ZINC000832504413 601892543 /nfs/dbraw/zinc/89/25/43/601892543.db2.gz NSBVQRABPTYXEQ-SFHVURJKSA-N -1 3 315.369 2.851 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)c2c1 ZINC000832504413 601892546 /nfs/dbraw/zinc/89/25/46/601892546.db2.gz NSBVQRABPTYXEQ-SFHVURJKSA-N -1 3 315.369 2.851 20 10 DFCDHM C[C@H]1C[C@@H](CO)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000290207621 291058317 /nfs/dbraw/zinc/05/83/17/291058317.db2.gz QCZNMLCFWTZCLT-UWVGGRQHSA-N -1 3 314.769 2.547 20 10 DFCDHM C[C@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)N(C)C ZINC000189009828 299345438 /nfs/dbraw/zinc/34/54/38/299345438.db2.gz SPJLCPKZIOUZHW-YUMQZZPRSA-N -1 3 305.205 2.826 20 10 DFCDHM C[C@H](N[C@@H]1CCCc2c1cnn2C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273406697 299383917 /nfs/dbraw/zinc/38/39/17/299383917.db2.gz ONOZPHIPYMEICZ-IINYFYTJSA-N -1 3 316.361 2.762 20 10 DFCDHM C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(F)c(F)c1[O-] ZINC000187781705 296126097 /nfs/dbraw/zinc/12/60/97/296126097.db2.gz PEKFMUNAJGYQTQ-SECBINFHSA-N -1 3 321.389 2.534 20 10 DFCDHM CCCOc1ccc(CN(CCCO)CC(F)(F)F)c([O-])c1 ZINC000093044453 193197096 /nfs/dbraw/zinc/19/70/96/193197096.db2.gz OPQQXKIGMUVQMC-UHFFFAOYSA-N -1 3 321.339 2.928 20 10 DFCDHM C[C@@H]1C[C@]2(CCO1)CN(Cc1cccc(F)c1[O-])C[C@H](C)O2 ZINC000366811529 335019382 /nfs/dbraw/zinc/01/93/82/335019382.db2.gz RAPPCNYAZHFOEM-IIYDPXPESA-N -1 3 309.381 2.690 20 10 DFCDHM CN(Cc1cn(C)nc1C(F)(F)F)Cc1cccc(F)c1[O-] ZINC000272371384 130024239 /nfs/dbraw/zinc/02/42/39/130024239.db2.gz GSFGAAZIIZGUFO-UHFFFAOYSA-N -1 3 317.286 2.916 20 10 DFCDHM C[C@@H](NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273303024 130105092 /nfs/dbraw/zinc/10/50/92/130105092.db2.gz BZLUUZDONBNGSC-SNVBAGLBSA-N -1 3 316.313 2.880 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)Nc2c(C)nn(C)c2C)c1 ZINC000273418562 130118345 /nfs/dbraw/zinc/11/83/45/130118345.db2.gz IZKCWGBWIUTNLZ-SECBINFHSA-N -1 3 303.362 2.702 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C)c2cccnc2)c1 ZINC000273421179 130118675 /nfs/dbraw/zinc/11/86/75/130118675.db2.gz SEFJERJEJBDOSX-NWDGAFQWSA-N -1 3 300.358 2.986 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)NCc2cnc(C)s2)c1 ZINC000273552568 130134622 /nfs/dbraw/zinc/13/46/22/130134622.db2.gz GEMMWHANDJFGPD-VIFPVBQESA-N -1 3 306.387 2.795 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C)c2nnc(C)s2)c1 ZINC000274197358 130215221 /nfs/dbraw/zinc/21/52/21/130215221.db2.gz KWIHILGIHZWRFX-IUCAKERBSA-N -1 3 321.402 2.751 20 10 DFCDHM C[C@@H](N[C@H]1CCCc2nn(C)cc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000282491440 287068615 /nfs/dbraw/zinc/06/86/15/287068615.db2.gz RAWXMNOCVHDMJK-YGRLFVJLSA-N -1 3 316.361 2.762 20 10 DFCDHM CCCN(CC(=O)Nc1nccs1)Cc1ccccc1[O-] ZINC000068973686 425925191 /nfs/dbraw/zinc/92/51/91/425925191.db2.gz YVPUOFMPOYBLLL-UHFFFAOYSA-N -1 3 305.403 2.699 20 10 DFCDHM COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccccc2[O-])cc1 ZINC000109772986 426033047 /nfs/dbraw/zinc/03/30/47/426033047.db2.gz ZEGXYCGBCPTIOG-CYBMUJFWSA-N -1 3 314.385 2.860 20 10 DFCDHM COCCN(CCOC)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000133408849 426176225 /nfs/dbraw/zinc/17/62/25/426176225.db2.gz WZENUUYHUATYKX-UHFFFAOYSA-N -1 3 308.205 2.794 20 10 DFCDHM C[C@@H](C(=O)N1CCc2ccccc2C1)N(C)Cc1ccccc1[O-] ZINC000121136797 426321899 /nfs/dbraw/zinc/32/18/99/426321899.db2.gz OGEDUUVCJGASBK-HNNXBMFYSA-N -1 3 324.424 2.797 20 10 DFCDHM CC(C)(NCc1ccccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000154055156 426422291 /nfs/dbraw/zinc/42/22/91/426422291.db2.gz HDEJPRQXUBMHBC-UHFFFAOYSA-N -1 3 308.385 2.998 20 10 DFCDHM Cc1ccc(C(=O)N(C)CCCOc2ccccc2)c([O-])c1O ZINC000177671467 426504528 /nfs/dbraw/zinc/50/45/28/426504528.db2.gz WANGRRUXZOJMMW-UHFFFAOYSA-N -1 3 315.369 2.947 20 10 DFCDHM CCc1nnc([C@@H]2CN(Cc3c([O-])cccc3Cl)CCO2)o1 ZINC000280429525 426574152 /nfs/dbraw/zinc/57/41/52/426574152.db2.gz JJFAYCMFSFIRMT-ZDUSSCGKSA-N -1 3 323.780 2.565 20 10 DFCDHM Cc1c([C@@H](C)N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cnn1C ZINC000273391240 426655961 /nfs/dbraw/zinc/65/59/61/426655961.db2.gz KVEITPDCZLYSMB-NXEZZACHSA-N -1 3 304.350 2.754 20 10 DFCDHM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(O)c1[O-] ZINC000187472836 426665369 /nfs/dbraw/zinc/66/53/69/426665369.db2.gz PSTKGKAWYPESAB-WBMJQRKESA-N -1 3 313.353 2.700 20 10 DFCDHM [O-]c1c(F)cccc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289960375 426677716 /nfs/dbraw/zinc/67/77/16/426677716.db2.gz ZBXAOZXPPJLFRA-QWRGUYRKSA-N -1 3 307.287 2.524 20 10 DFCDHM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](CO)c2ccccc2)c1 ZINC000273549262 426685391 /nfs/dbraw/zinc/68/53/91/426685391.db2.gz FQZCZSZKPSREFQ-LRDDRELGSA-N -1 3 315.369 2.563 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000179586521 426805404 /nfs/dbraw/zinc/80/54/04/426805404.db2.gz ZKTYENABPWFFEU-HKUYNNGSSA-N -1 3 313.397 2.717 20 10 DFCDHM C[C@@H](N[C@@H](C)c1cc(Cl)c(Cl)cc1[O-])C(=O)NCCF ZINC000282461734 426915459 /nfs/dbraw/zinc/91/54/59/426915459.db2.gz FYZSPHAVFOEEJA-JGVFFNPUSA-N -1 3 323.195 2.824 20 10 DFCDHM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2[C@H](C)O)c1[O-] ZINC000267393835 426878986 /nfs/dbraw/zinc/87/89/86/426878986.db2.gz PKBVSDYEJJIZDM-XHDPSFHLSA-N -1 3 311.809 2.984 20 10 DFCDHM COc1c([O-])c(CN2CC(C)(C)[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000291506143 426900353 /nfs/dbraw/zinc/90/03/53/426900353.db2.gz HUEDDROTKADDAH-HNNXBMFYSA-N -1 3 306.362 2.929 20 10 DFCDHM CC(C)c1nnc([C@@H]2COCCN2Cc2cc(F)ccc2[O-])o1 ZINC000282985004 426934471 /nfs/dbraw/zinc/93/44/71/426934471.db2.gz JQZPVICYBFEYJT-ZDUSSCGKSA-N -1 3 321.352 2.611 20 10 DFCDHM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2ccc(C)c(O)c2[O-])[nH]1 ZINC000276865668 427125865 /nfs/dbraw/zinc/12/58/65/427125865.db2.gz GRAFAGLBGRHQKW-WPRPVWTQSA-N -1 3 318.377 2.529 20 10 DFCDHM COc1cc(Cl)cc(CN2CCc3cc[nH]c(=O)c3C2)c1[O-] ZINC000276982917 427132049 /nfs/dbraw/zinc/13/20/49/427132049.db2.gz FQNPHXNWYFYXSL-UHFFFAOYSA-N -1 3 320.776 2.713 20 10 DFCDHM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)c(O)c2[O-])C12CCC2 ZINC000182817939 427150246 /nfs/dbraw/zinc/15/02/46/427150246.db2.gz CAOGALWHRYSXNM-KGLIPLIRSA-N -1 3 319.401 2.826 20 10 DFCDHM CC[C@@H](C)c1nc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2[O-])n[nH]1 ZINC000277511726 427226301 /nfs/dbraw/zinc/22/63/01/427226301.db2.gz WLXDSULEEUAGSY-NXEZZACHSA-N -1 3 319.365 2.783 20 10 DFCDHM COC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271052371 427387642 /nfs/dbraw/zinc/38/76/42/427387642.db2.gz WYHIJODLKZQIOZ-UHFFFAOYSA-N -1 3 300.742 2.565 20 10 DFCDHM C[C@@H](NCc1cc(Cl)c(F)cc1[O-])c1nnc2n1CCC2 ZINC000293716342 427413983 /nfs/dbraw/zinc/41/39/83/427413983.db2.gz VFWQANOLSGBUCP-MRVPVSSYSA-N -1 3 310.760 2.573 20 10 DFCDHM COc1c([O-])c(CN(C)[C@@H](C)c2ccncc2)ccc1[N+](=O)[O-] ZINC000278508632 427441919 /nfs/dbraw/zinc/44/19/19/427441919.db2.gz PKFVHGNIHKYFNA-NSHDSACASA-N -1 3 317.345 2.897 20 10 DFCDHM COc1c([O-])c(CN[C@@H](C)c2ccccn2)ccc1[N+](=O)[O-] ZINC000278945981 427510348 /nfs/dbraw/zinc/51/03/48/427510348.db2.gz YODPTPQCXJOLCF-JTQLQIEISA-N -1 3 303.318 2.555 20 10 DFCDHM [O-]c1ccccc1CN1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000271441586 427537944 /nfs/dbraw/zinc/53/79/44/427537944.db2.gz RZOUJMIADILHMD-GOEBONIOSA-N -1 3 319.426 2.778 20 10 DFCDHM Cc1ccc(C(=O)N2CCCCC[C@@H]2C[C@H](C)O)c([O-])c1O ZINC000287266867 427564293 /nfs/dbraw/zinc/56/42/93/427564293.db2.gz KHDASPGPGYHMIC-QWHCGFSZSA-N -1 3 307.390 2.562 20 10 DFCDHM CCCNC(=O)CN[C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192608598 427573645 /nfs/dbraw/zinc/57/36/45/427573645.db2.gz HIMYVSDSDNKDCW-QMMMGPOBSA-N -1 3 305.205 2.876 20 10 DFCDHM CC(C)C(=O)NC1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000271734291 427584080 /nfs/dbraw/zinc/58/40/80/427584080.db2.gz OAYZEHMPZGAEEO-UHFFFAOYSA-N -1 3 310.825 2.782 20 10 DFCDHM C[C@@H](NCc1cnn(C)c1)c1ccc(Br)cc1[O-] ZINC000185113377 427595599 /nfs/dbraw/zinc/59/55/99/427595599.db2.gz GUIAYHUADYACML-SECBINFHSA-N -1 3 310.195 2.739 20 10 DFCDHM CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(F)cc1[O-] ZINC000185866261 427721530 /nfs/dbraw/zinc/72/15/30/427721530.db2.gz FOBZMEKWBHUWAU-SNVBAGLBSA-N -1 3 307.369 2.687 20 10 DFCDHM CCc1nn(C)c(OC)c1CN[C@@H](C)c1cc(F)ccc1[O-] ZINC000185867128 427721554 /nfs/dbraw/zinc/72/15/54/427721554.db2.gz AOSXXKWPWHYUQC-JTQLQIEISA-N -1 3 307.369 2.687 20 10 DFCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(F)F ZINC000280019636 427726071 /nfs/dbraw/zinc/72/60/71/427726071.db2.gz XZHIRNJJJNUJJK-UHFFFAOYSA-N -1 3 308.122 2.768 20 10 DFCDHM CC(C)[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000279879373 427727426 /nfs/dbraw/zinc/72/74/26/427727426.db2.gz FRYUGZMGFMHTCS-JTQLQIEISA-N -1 3 310.781 2.854 20 10 DFCDHM C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000186027615 427741429 /nfs/dbraw/zinc/74/14/29/427741429.db2.gz GTVYCRMUQZVZHX-SNVBAGLBSA-N -1 3 319.854 2.910 20 10 DFCDHM CC1(C)CN(Cc2cc(Cl)ccc2[O-])C[C@@]2(CCOC2)O1 ZINC000369546346 427996014 /nfs/dbraw/zinc/99/60/14/427996014.db2.gz OGYOOOJIIVWVHZ-MRXNPFEDSA-N -1 3 311.809 2.816 20 10 DFCDHM Cc1ccc(C(=O)N2CCC([C@@H]3CCCOC3)CC2)c([O-])c1O ZINC000370151171 428144781 /nfs/dbraw/zinc/14/47/81/428144781.db2.gz UZBSWLWWRCPERL-CQSZACIVSA-N -1 3 319.401 2.685 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCCO[C@H]3CCC[C@H]32)c1[O-] ZINC000370170915 428148660 /nfs/dbraw/zinc/14/86/60/428148660.db2.gz VWUYHYSMWGKYRX-CVEARBPZSA-N -1 3 307.365 2.877 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC(c2nccs2)CC1 ZINC000364031163 429160820 /nfs/dbraw/zinc/16/08/20/429160820.db2.gz SYCQXUFRPITUQH-UHFFFAOYSA-N -1 3 304.371 2.574 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCO[C@H](C2CCCCC2)C1 ZINC000365754554 429366565 /nfs/dbraw/zinc/36/65/65/429366565.db2.gz SDNXFIIXLQCWHE-HNNXBMFYSA-N -1 3 305.374 2.519 20 10 DFCDHM Cc1cc([O-])c(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)c1 ZINC000529685225 430051012 /nfs/dbraw/zinc/05/10/12/430051012.db2.gz ZOPCPVAMOIGMCV-XAAFQQQXSA-N -1 3 313.850 2.839 20 10 DFCDHM COc1ccc(CN[C@H](C)c2ccc(F)c(F)c2[O-])c(OC)n1 ZINC000290268637 295135057 /nfs/dbraw/zinc/13/50/57/295135057.db2.gz VWYODDMQQIXART-SECBINFHSA-N -1 3 324.327 2.933 20 10 DFCDHM CC[C@@H](N[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1[O-] ZINC000363753934 332240017 /nfs/dbraw/zinc/24/00/17/332240017.db2.gz VYFFXLSJVHBGGO-HUUCEWRRSA-N -1 3 317.410 2.962 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000293738206 335112846 /nfs/dbraw/zinc/11/28/46/335112846.db2.gz WYTNHTDBDFRZLF-JKSUJKDBSA-N -1 3 307.752 2.933 20 10 DFCDHM [O-]c1cc(F)c(Cl)cc1CN1CCC(F)(F)[C@H](CO)C1 ZINC000293823714 335117883 /nfs/dbraw/zinc/11/78/83/335117883.db2.gz FZDCVVVMCWHVPF-VIFPVBQESA-N -1 3 309.715 2.634 20 10 DFCDHM [O-]c1ccc(Br)cc1CN1CCC[C@]12CCOC2 ZINC000311002955 333277153 /nfs/dbraw/zinc/27/71/53/333277153.db2.gz VOHYZQMLMBYTKW-CQSZACIVSA-N -1 3 312.207 2.910 20 10 DFCDHM O=C(/C=C/c1cncc([O-])c1)N1C[C@H]2CCCN2c2ccccc21 ZINC000492524012 333302012 /nfs/dbraw/zinc/30/20/12/333302012.db2.gz ZBRNRXMNAVTBEI-MVGZEHJDSA-N -1 3 321.380 2.816 20 10 DFCDHM Cc1ccc(C(=O)NCC2(c3ncccc3C)CC2)c([O-])c1O ZINC000366534265 333655752 /nfs/dbraw/zinc/65/57/52/333655752.db2.gz KOLKOSMXYQCJDG-UHFFFAOYSA-N -1 3 312.369 2.571 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)c1[O-] ZINC000279243811 334107079 /nfs/dbraw/zinc/10/70/79/334107079.db2.gz GHQDZHPPSHHPPX-HWPZZCPQSA-N -1 3 307.365 2.733 20 10 DFCDHM COCC[C@@H]1CCCCN(C(=O)c2ccc(C)c(O)c2[O-])C1 ZINC000368491844 336846012 /nfs/dbraw/zinc/84/60/12/336846012.db2.gz KGMGOBRAARBILP-ZDUSSCGKSA-N -1 3 307.390 2.685 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CCC(F)(c2cccnc2)CC1 ZINC000375897508 337022616 /nfs/dbraw/zinc/02/26/16/337022616.db2.gz IIXVYCGLHDIKLQ-UHFFFAOYSA-N -1 3 316.332 2.594 20 10 DFCDHM [O-]c1ccc(F)cc1CN1CCC2(C1)Oc1ccccc1O2 ZINC000377840005 337062244 /nfs/dbraw/zinc/06/22/44/337062244.db2.gz ORTMXDNPMXHPBW-UHFFFAOYSA-N -1 3 301.317 2.905 20 10 DFCDHM CC(C)c1nnc2n1CCN(Cc1cc(Cl)ccc1[O-])C2 ZINC000378352967 337070761 /nfs/dbraw/zinc/07/07/61/337070761.db2.gz XUOMAPDFWXATAW-UHFFFAOYSA-N -1 3 306.797 2.776 20 10 DFCDHM CC(C)(C)C(=O)N1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000378489371 337074279 /nfs/dbraw/zinc/07/42/79/337074279.db2.gz CIRUELYRNNNSHE-UHFFFAOYSA-N -1 3 308.397 2.612 20 10 DFCDHM Cc1csc2c1CN(C(=O)c1ccc(C)c(O)c1[O-])CC2 ZINC000378580472 337075924 /nfs/dbraw/zinc/07/59/24/337075924.db2.gz QPLWMRMAXJKQJP-UHFFFAOYSA-N -1 3 303.383 2.975 20 10 DFCDHM C[C@@H](N[C@@H](C)c1cc(F)ccc1[O-])c1nnc2n1CCCC2 ZINC000185586432 337249281 /nfs/dbraw/zinc/24/92/81/337249281.db2.gz FDLIGPSMTVMHRK-WDEREUQCSA-N -1 3 304.369 2.871 20 10 DFCDHM O=C(c1cccc(O)c1[O-])N1CC[C@H](Oc2cccc(F)c2)C1 ZINC000193160982 337309901 /nfs/dbraw/zinc/30/99/01/337309901.db2.gz UXYPSMGXZBOOIB-ZDUSSCGKSA-N -1 3 317.316 2.530 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CCC(CCCO)CC2)c1[O-] ZINC000273023018 341632705 /nfs/dbraw/zinc/63/27/05/341632705.db2.gz SLBMANCZOLIEBF-UHFFFAOYSA-N -1 3 309.381 2.718 20 10 DFCDHM CC(=O)c1cc(F)cc(CN(C)CCc2nccs2)c1[O-] ZINC000157913565 518284115 /nfs/dbraw/zinc/28/41/15/518284115.db2.gz CUYYXYIWUKUTCW-UHFFFAOYSA-N -1 3 308.378 2.865 20 10 DFCDHM CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000367445730 518286072 /nfs/dbraw/zinc/28/60/72/518286072.db2.gz AJJSJKAOUZPTQN-QGZVFWFLSA-N -1 3 307.365 2.736 20 10 DFCDHM CC[C@@H](NCc1nnc2n1CCCC2)c1ccc(F)cc1[O-] ZINC000367729713 522897794 /nfs/dbraw/zinc/89/77/94/522897794.db2.gz VGMOLXOWGPJGAG-CYBMUJFWSA-N -1 3 304.369 2.700 20 10 DFCDHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)O1 ZINC000127034922 524984608 /nfs/dbraw/zinc/98/46/08/524984608.db2.gz BPNAYKHTOSATKU-NXEZZACHSA-N -1 3 300.196 2.764 20 10 DFCDHM Cc1ccc(C(=O)Nc2ccnn2[C@@H](C)C2CC2)c([O-])c1O ZINC000182307727 526227568 /nfs/dbraw/zinc/22/75/68/526227568.db2.gz KUPSXFVMCQSWMV-JTQLQIEISA-N -1 3 301.346 2.826 20 10 DFCDHM C[C@@H]1CN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@@H](C)O1 ZINC000736812303 600372177 /nfs/dbraw/zinc/37/21/77/600372177.db2.gz VNLGTBDSDNQWFS-VXGBXAGGSA-N -1 3 315.369 2.853 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+](C)CCCNC(=O)[O-])c2c1 ZINC000739939098 603199237 /nfs/dbraw/zinc/19/92/37/603199237.db2.gz AOJLERSQXBOHRX-UHFFFAOYSA-N -1 3 318.373 2.644 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+](C)CCCNC(=O)[O-])c2c1 ZINC000739939098 603199240 /nfs/dbraw/zinc/19/92/40/603199240.db2.gz AOJLERSQXBOHRX-UHFFFAOYSA-N -1 3 318.373 2.644 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H]3CC(=O)[O-])c2c1 ZINC000832504749 604980554 /nfs/dbraw/zinc/98/05/54/604980554.db2.gz WCXLIZBNTNXWJZ-ZDUSSCGKSA-N -1 3 315.369 2.993 20 10 DFCDHM COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H]3CC(=O)[O-])c2c1 ZINC000832504749 604980556 /nfs/dbraw/zinc/98/05/56/604980556.db2.gz WCXLIZBNTNXWJZ-ZDUSSCGKSA-N -1 3 315.369 2.993 20 10 DFCDHM