smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(CC(=O)NCCOP(=O)([O-])[O-])c1 ZINC001143498229 747889692 /nfs/dbraw/zinc/88/96/92/747889692.db2.gz QRTMPLVOKIGASO-UHFFFAOYSA-N -2 0 319.250 0.472 20 0 DCADRL O=P([O-])([O-])OCCNc1cnc(OC(F)(F)F)cn1 ZINC001168589346 752661308 /nfs/dbraw/zinc/66/13/08/752661308.db2.gz HPVWJCZWDOFDJD-UHFFFAOYSA-N -2 0 303.133 0.896 20 0 DCADRL O=C(CN1CCc2sccc2C1)NCCOP(=O)([O-])[O-] ZINC001142225231 768630062 /nfs/dbraw/zinc/63/00/62/768630062.db2.gz BGJKPCLHPBBFFY-UHFFFAOYSA-N -2 0 320.307 0.332 20 0 DCADRL COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1C ZINC001230923582 768912306 /nfs/dbraw/zinc/91/23/06/768912306.db2.gz ORMFVLMIWIJSCL-BXKDBHETSA-N -2 0 312.274 0.445 20 0 DCADRL O=C([O-])CC[C@@H](O)C(=O)Oc1[n-]c(=O)nc2cccc(F)c21 ZINC001231072948 769165404 /nfs/dbraw/zinc/16/54/04/769165404.db2.gz DLANJTZHSPJKAU-MRVPVSSYSA-N -2 0 310.237 0.606 20 0 DCADRL Cc1c(C)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1F ZINC001233867495 769479055 /nfs/dbraw/zinc/47/90/55/769479055.db2.gz FQEDDTWNEGTLAT-SECBINFHSA-N -2 0 308.198 0.818 20 0 DCADRL O=C(Oc1nc2c(cccc2F)[nH]1)[C@H](O)COP(=O)([O-])[O-] ZINC001233929317 769499299 /nfs/dbraw/zinc/49/92/99/769499299.db2.gz XXRZUDBIYFWLSN-SSDOTTSWSA-N -2 0 320.169 0.078 20 0 DCADRL COc1cc(C)cc(F)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234227581 769593459 /nfs/dbraw/zinc/59/34/59/769593459.db2.gz IJUQKBMFDAGYBK-MRVPVSSYSA-N -2 0 324.197 0.518 20 0 DCADRL CS(=O)(=O)c1ncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242162643 770279970 /nfs/dbraw/zinc/27/99/70/770279970.db2.gz ZHRGPTLUOROGHN-UHFFFAOYSA-N -2 0 322.298 0.944 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1nc2ccc(Cl)nc2[nH]1 ZINC001155183509 770423184 /nfs/dbraw/zinc/42/31/84/770423184.db2.gz YWUTYVIFPNDHPP-UHFFFAOYSA-N -2 0 320.629 0.450 20 0 DCADRL O=P([O-])([O-])OCCNc1ccnc(-c2nccs2)n1 ZINC001157795892 771673568 /nfs/dbraw/zinc/67/35/68/771673568.db2.gz WNONZDICFQNVGN-UHFFFAOYSA-N -2 0 302.252 0.543 20 0 DCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1cccnc1Cl ZINC001184889385 771836481 /nfs/dbraw/zinc/83/64/81/771836481.db2.gz IFTBWIVGVCDPNX-UHFFFAOYSA-N -2 0 316.659 0.123 20 0 DCADRL O=C(Nc1cn[nH]c(=O)c1)c1ccccc1OP(=O)([O-])[O-] ZINC001189872050 772548275 /nfs/dbraw/zinc/54/82/75/772548275.db2.gz SHWILPIUGGKWND-UHFFFAOYSA-N -2 0 311.190 0.906 20 0 DCADRL CCOC(=O)CCNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899766 772564214 /nfs/dbraw/zinc/56/42/14/772564214.db2.gz HJAKNDMINIACPO-UHFFFAOYSA-N -2 0 317.234 0.841 20 0 DCADRL O=C([O-])c1cc(C(=O)NCc2ccc[nH]2)cc(S(=O)(=O)[O-])c1 ZINC001189934635 772566645 /nfs/dbraw/zinc/56/66/45/772566645.db2.gz VYKAKOBXYBFPDG-UHFFFAOYSA-N -2 0 324.314 0.890 20 0 DCADRL COC(=O)c1ccc([O-])c(C(=O)N[C@H]2SC(=O)[N-]C2=O)c1 ZINC001192396731 772917314 /nfs/dbraw/zinc/91/73/14/772917314.db2.gz NMHQEJKOQLDIRF-JTQLQIEISA-N -2 0 310.287 0.218 20 0 DCADRL Cc1cccc(C)c1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001222828157 775431454 /nfs/dbraw/zinc/43/14/54/775431454.db2.gz LAGDELFXEDADKX-ZWNOBZJWSA-N -2 0 310.302 0.883 20 0 DCADRL Cc1cc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(C)n1 ZINC001223426107 775489880 /nfs/dbraw/zinc/48/98/80/775489880.db2.gz YUPMWVDKXKJNQB-JQWIXIFHSA-N -2 0 311.290 0.278 20 0 DCADRL CCOc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225218461 775656750 /nfs/dbraw/zinc/65/67/50/775656750.db2.gz ZLIJZAHIQUPISD-PRHODGIISA-N -2 0 312.274 0.527 20 0 DCADRL O=C(Oc1ccc2ncccc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001225330483 775665934 /nfs/dbraw/zinc/66/59/34/775665934.db2.gz KIAWCNIBCZEGKH-LLVKDONJSA-N -2 0 313.202 0.610 20 0 DCADRL COc1cc(F)ccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225347951 775668849 /nfs/dbraw/zinc/66/88/49/775668849.db2.gz NGAROAFRTBAOGK-HQJQHLMTSA-N -2 0 316.237 0.276 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cccc(F)c1F)[C@@H](O)C(=O)[O-] ZINC001225923760 775742463 /nfs/dbraw/zinc/74/24/63/775742463.db2.gz CMYZSOILDMLFDB-XUOSJQGZSA-N -2 0 304.201 0.407 20 0 DCADRL Cc1cc(O)c(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001226517771 775829166 /nfs/dbraw/zinc/82/91/66/775829166.db2.gz JNKNIEAZYSMUKH-PELKAZGASA-N -2 0 312.274 0.451 20 0 DCADRL O=C(Oc1ccc2c(c1)CCCC2)[C@H](O)COP(=O)([O-])[O-] ZINC001226760216 775873808 /nfs/dbraw/zinc/87/38/08/775873808.db2.gz FPBICEZJRWYOCY-GFCCVEGCSA-N -2 0 316.246 0.941 20 0 DCADRL CCC(=O)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226960495 775902339 /nfs/dbraw/zinc/90/23/39/775902339.db2.gz TZCBUENVVQDGAZ-ZWNOBZJWSA-N -2 0 324.285 0.721 20 0 DCADRL CCOc1cc(C)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001227204013 775943424 /nfs/dbraw/zinc/94/34/24/775943424.db2.gz FOFKWYVLAQECBQ-SECBINFHSA-N -2 0 320.234 0.769 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(O)cc1Cl)[C@@H](O)C(=O)[O-] ZINC001227447233 775975085 /nfs/dbraw/zinc/97/50/85/775975085.db2.gz VKKFQDCUVKYBIM-QUBYGPBYSA-N -2 0 318.665 0.487 20 0 DCADRL COCc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001227673540 775996195 /nfs/dbraw/zinc/99/61/95/775996195.db2.gz BVBLYMDDSPYLRO-SNVBAGLBSA-N -2 0 306.207 0.209 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cnc(F)c(Cl)c1)[C@@H](O)C(=O)[O-] ZINC001227969369 776030437 /nfs/dbraw/zinc/03/04/37/776030437.db2.gz ZJYUJFWNSAQTEQ-SVGQVSJJSA-N -2 0 321.644 0.316 20 0 DCADRL CC(C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])n1 ZINC001228320329 776069824 /nfs/dbraw/zinc/06/98/24/776069824.db2.gz NCFVRIIDHWPAOW-UFBFGSQYSA-N -2 0 311.290 0.647 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cccc2cc[nH]c21)[C@H](O)C(=O)[O-] ZINC001228889891 776135582 /nfs/dbraw/zinc/13/55/82/776135582.db2.gz FUVAUEAAXKYCAA-UFBFGSQYSA-N -2 0 307.258 0.610 20 0 DCADRL COc1ccc2c(c1)nc(=O)[n-]c2OC(=O)[C@@H](O)CC(=O)[O-] ZINC001229136489 776162940 /nfs/dbraw/zinc/16/29/40/776162940.db2.gz CBXLZJBNMUHYNU-VIFPVBQESA-N -2 0 308.246 0.085 20 0 DCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)NC[C@H](C)C(=O)[O-] ZINC001600655752 1168231173 /nfs/dbraw/zinc/23/11/73/1168231173.db2.gz YUENQOSNEASAML-YFKPBYRVSA-N -2 0 307.349 0.754 20 0 DCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCOC1 ZINC001600834438 1168479579 /nfs/dbraw/zinc/47/95/79/1168479579.db2.gz QFCLPQSUTPXCPF-MRVPVSSYSA-N -2 0 317.319 0.518 20 0 DCADRL Cc1oc(S(=O)(=O)NCCSCC(=O)[O-])cc1C(=O)[O-] ZINC001600857694 1168486925 /nfs/dbraw/zinc/48/69/25/1168486925.db2.gz MCFKPHOJMQRALR-UHFFFAOYSA-N -2 0 323.348 0.382 20 0 DCADRL O=C([O-])CCCS(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001602002044 1168957306 /nfs/dbraw/zinc/95/73/06/1168957306.db2.gz PATAZFJDEVVXJY-UHFFFAOYSA-N -2 0 301.320 0.669 20 0 DCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)Cc1ccc(Cl)c(F)c1 ZINC001602028580 1168971161 /nfs/dbraw/zinc/97/11/61/1168971161.db2.gz VNSGZZZVEGCCHU-UHFFFAOYSA-N -2 0 323.729 0.942 20 0 DCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)cn1 ZINC001602395525 1169070472 /nfs/dbraw/zinc/07/04/72/1169070472.db2.gz CMXSIQUEBSGOQN-SNVBAGLBSA-N -2 0 314.319 0.311 20 0 DCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)CCOCC1CC1 ZINC001603190173 1169270015 /nfs/dbraw/zinc/27/00/15/1169270015.db2.gz UMIBPKLQHHLGFO-IUCAKERBSA-N -2 0 307.368 0.358 20 0 DCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cccnc1 ZINC001603189735 1169270559 /nfs/dbraw/zinc/27/05/59/1169270559.db2.gz SQDAIABHEMDSNB-RKDXNWHRSA-N -2 0 300.336 0.179 20 0 DCADRL NC(=O)c1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260221284 947086865 /nfs/dbraw/zinc/08/68/65/947086865.db2.gz FBNCYOWSOBKQTB-UHFFFAOYSA-N -2 0 321.314 0.680 20 0 DCADRL Cc1ccnnc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260393252 947098894 /nfs/dbraw/zinc/09/88/94/947098894.db2.gz DHENFENNRQMJFH-UHFFFAOYSA-N -2 0 309.303 0.990 20 0 DCADRL O=C([O-])c1cccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)c1 ZINC001595240903 949454383 /nfs/dbraw/zinc/45/43/83/949454383.db2.gz PWMFYWLCCONGHQ-SNVBAGLBSA-N -2 0 315.333 0.993 20 0 DCADRL C[C@]1(CNC(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)[O-])CC1(F)F ZINC001604577271 1169622680 /nfs/dbraw/zinc/62/26/80/1169622680.db2.gz MEJSSFAPMULFAS-DNSOKLHBSA-N -2 0 320.292 0.991 20 0 DCADRL CC(C)[C@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001602993703 972031910 /nfs/dbraw/zinc/03/19/10/972031910.db2.gz PYWZIIJBRXBYND-MADCSZMMSA-N -2 0 316.335 0.860 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)cc1C ZINC001593912135 955975797 /nfs/dbraw/zinc/97/57/97/955975797.db2.gz XRAFWIYIPVVHTG-SNVBAGLBSA-N -2 0 301.320 0.208 20 0 DCADRL C[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC=CCC1 ZINC001589181430 956522828 /nfs/dbraw/zinc/52/28/28/956522828.db2.gz MECYPRMSTULVPN-LBPRGKRZSA-N -2 0 314.319 0.924 20 0 DCADRL CS(=O)(=O)c1nc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)n[n-]1 ZINC001594178517 959060066 /nfs/dbraw/zinc/06/00/66/959060066.db2.gz KPQYLGDHBHRWCS-ZETCQYMHSA-N -2 0 316.339 0.038 20 0 DCADRL Cc1n[nH]c(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1[O-] ZINC001594441078 959267457 /nfs/dbraw/zinc/26/74/57/959267457.db2.gz KXAQUNZQCQBTDA-JTQLQIEISA-N -2 0 305.290 0.555 20 0 DCADRL O=C(c1s[n-]c(=O)c1Cl)N1CC[C@H](c2nnn[n-]2)C1 ZINC001362824241 960046857 /nfs/dbraw/zinc/04/68/57/960046857.db2.gz VLXNNYVTMPACIY-BYPYZUCNSA-N -2 0 300.731 0.645 20 0 DCADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001571092376 961120864 /nfs/dbraw/zinc/12/08/64/961120864.db2.gz SMNFEEROUSJQND-UHFFFAOYSA-N -2 0 306.278 0.643 20 0 DCADRL COc1c(NC(=O)Cn2c(=O)[n-][nH]c2=O)cccc1C(=O)[O-] ZINC001571098016 961196213 /nfs/dbraw/zinc/19/62/13/961196213.db2.gz KSYQCWSVEFHEPO-UHFFFAOYSA-N -2 0 308.250 0.035 20 0 DCADRL C[C@H]1CNc2c(C(=O)NCc3nc([O-])cc(=O)[nH]3)cnn2C1 ZINC001363485720 961255757 /nfs/dbraw/zinc/25/57/57/961255757.db2.gz MYXGIACZFQVMEA-ZETCQYMHSA-N -2 0 304.310 0.076 20 0 DCADRL CC(C)OCCO[N-]C(=O)C(=O)Nc1cncc(C(=O)[O-])c1 ZINC001588935453 962495935 /nfs/dbraw/zinc/49/59/35/962495935.db2.gz FAAVDNMTNSDRNH-UHFFFAOYSA-N -2 0 311.294 0.191 20 0 DCADRL COC[C@@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1nnn[n-]1 ZINC001574129497 962515466 /nfs/dbraw/zinc/51/54/66/962515466.db2.gz AALVEYAAAYETQP-SNVBAGLBSA-N -2 0 305.294 0.324 20 0 DCADRL O=C([O-])C[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001574679687 962568720 /nfs/dbraw/zinc/56/87/20/962568720.db2.gz BNDOZEILTVVFON-SSDOTTSWSA-N -2 0 300.340 0.316 20 0 DCADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)nn1C ZINC000312796673 963594062 /nfs/dbraw/zinc/59/40/62/963594062.db2.gz QCVCSZSXNPNJSQ-UHFFFAOYSA-N -2 0 317.348 0.989 20 0 DCADRL C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])no1)[N@H+](C)C1CC1 ZINC000316282353 963998926 /nfs/dbraw/zinc/99/89/26/963998926.db2.gz UFNVOBQPQDAPRH-ZETCQYMHSA-N -2 0 303.340 0.134 20 0 DCADRL O=C([O-])c1cccc(C(=O)N2CCSC[C@@H]2c2nnn[n-]2)c1 ZINC001608928705 970418136 /nfs/dbraw/zinc/41/81/36/970418136.db2.gz HIABVICHOIBBGD-SNVBAGLBSA-N -2 0 319.346 0.828 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001604433900 973228642 /nfs/dbraw/zinc/22/86/42/973228642.db2.gz IGKUQWYQXFAJLD-ZCFIWIBFSA-N -2 0 313.740 0.306 20 0 DCADRL 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ZINC001593441288 953366022 /nfs/dbraw/zinc/36/60/22/953366022.db2.gz PCKGNPAWODBFCG-JTQLQIEISA-N -2 0 317.319 0.224 20 0 DCADRL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC001594799393 953725128 /nfs/dbraw/zinc/72/51/28/953725128.db2.gz BFQBRFBCHTYWIS-MGCOHNPYSA-N -2 0 303.274 0.623 20 0 DCADRL O=C([O-])[C@H](C(=O)[N-]S(=O)(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001594836479 954029872 /nfs/dbraw/zinc/02/98/72/954029872.db2.gz WLITXDPQQMEURT-UWVGGRQHSA-N -2 0 305.352 0.112 20 0 DCADRL COC(=O)CCN(CC(=O)[O-])C(=O)c1c([O-])cc(F)cc1F ZINC001593839455 955343388 /nfs/dbraw/zinc/34/33/88/955343388.db2.gz WOTUUFZPGHHACX-UHFFFAOYSA-N -2 0 317.244 0.760 20 0 DCADRL C[C@H](CNC(=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1)C(=O)[O-] ZINC001589064154 955740647 /nfs/dbraw/zinc/74/06/47/955740647.db2.gz JCHGDZPHTIKSKZ-ZCFIWIBFSA-N -2 0 322.239 0.909 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC001593911687 955971563 /nfs/dbraw/zinc/97/15/63/955971563.db2.gz PNDMLEQUSPHOPH-SNVBAGLBSA-N -2 0 301.320 0.041 20 0 DCADRL CO[C@](C)(C(=O)[O-])C(=O)Nc1nccc(Br)c1[O-] ZINC001593930919 956178801 /nfs/dbraw/zinc/17/88/01/956178801.db2.gz NUMQDPHPBJPMMY-JTQLQIEISA-N -2 0 319.111 0.978 20 0 DCADRL O=C(/C=C/c1ccc[nH]1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594675286 956653619 /nfs/dbraw/zinc/65/36/19/956653619.db2.gz SHFRJECYEVMYCB-ONEGZZNKSA-N -2 0 311.275 0.219 20 0 DCADRL N#CCc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])cc1 ZINC000037732200 957323455 /nfs/dbraw/zinc/32/34/55/957323455.db2.gz SQXTXYOCYTVNGH-UHFFFAOYSA-N -2 0 306.303 0.975 20 0 DCADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1n[nH]c(=O)[n-]c1=O ZINC001294652357 957556214 /nfs/dbraw/zinc/55/62/14/957556214.db2.gz BVTZXHFOCCJXRI-UHFFFAOYSA-N -2 0 305.275 0.965 20 0 DCADRL CON(C(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1)[C@@H](C)C(=O)[O-] ZINC001594033348 957781781 /nfs/dbraw/zinc/78/17/81/957781781.db2.gz DLWLXTBCJJGURG-JTQLQIEISA-N -2 0 319.317 0.951 20 0 DCADRL COc1cccc(CS(=O)(=O)[N-]C(=O)CCCC(=O)[O-])c1 ZINC001594130766 958662912 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C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001592360349 977848006 /nfs/dbraw/zinc/84/80/06/977848006.db2.gz UTNBISVCKWFMKN-VIFPVBQESA-N -2 0 317.338 0.925 20 0 DCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1n[nH]c2ccccc21 ZINC000738692995 978590011 /nfs/dbraw/zinc/59/00/11/978590011.db2.gz KUQFGTFKQDXDBE-UHFFFAOYSA-N -2 0 307.291 0.785 20 0 DCADRL CCC(CC)n1nc(C)cc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001595126008 979513786 /nfs/dbraw/zinc/51/37/86/979513786.db2.gz FHMCECDPINDAKQ-UHFFFAOYSA-N -2 0 317.367 0.697 20 0 DCADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001595126505 979517889 /nfs/dbraw/zinc/51/78/89/979517889.db2.gz VQLLKAIIGUHZIC-VIFPVBQESA-N -2 0 307.368 0.804 20 0 DCADRL CC[C@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001595171998 979739275 /nfs/dbraw/zinc/73/92/75/979739275.db2.gz SGOOAPPWAHUSTO-MRVPVSSYSA-N -2 0 301.320 0.774 20 0 DCADRL CC[C@@H](CNS(=O)(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001595171999 979739411 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DCADRL CC[C@H](C)CCC(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001594957799 982693383 /nfs/dbraw/zinc/69/33/83/982693383.db2.gz NHAIVUPKRMGCBI-JTQLQIEISA-N -2 0 320.411 0.970 20 0 DCADRL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594981720 982773152 /nfs/dbraw/zinc/77/31/52/982773152.db2.gz FTAFUGBMLPNCJU-SECBINFHSA-N -2 0 307.368 0.756 20 0 DCADRL CCCN(CC(=O)[O-])S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595859594 982791259 /nfs/dbraw/zinc/79/12/59/982791259.db2.gz IEKGZZXVODTCNO-UHFFFAOYSA-N -2 0 301.320 0.870 20 0 DCADRL CCCc1cc([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])n(C)n1 ZINC001596058409 983365537 /nfs/dbraw/zinc/36/55/37/983365537.db2.gz KMBNGXSQJRDZHT-UHFFFAOYSA-N -2 0 313.339 0.595 20 0 DCADRL CCO[C@@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001596762653 985163219 /nfs/dbraw/zinc/16/32/19/985163219.db2.gz XBFDWWSBGPMVRM-MWLCHTKSSA-N -2 0 315.347 0.683 20 0 DCADRL CCO[C@H](CC)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001596781831 985235590 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TUCPYOKAEVMWKV-UHFFFAOYSA-N -2 0 321.738 0.808 20 0 DCADRL O=C([O-])CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000227941633 527588382 /nfs/dbraw/zinc/58/83/82/527588382.db2.gz HIPBOGGLKZOEKD-SNVBAGLBSA-N -2 0 319.310 0.812 20 0 DCADRL O=C([O-])CC[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000681563496 548264418 /nfs/dbraw/zinc/26/44/18/548264418.db2.gz SRYSYZNICDIRQO-MRVPVSSYSA-N -2 0 322.726 0.331 20 0 DCADRL COc1ccsc1S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000681563538 548264848 /nfs/dbraw/zinc/26/48/48/548264848.db2.gz UMMPZGGYGOSWIG-ZCFIWIBFSA-N -2 0 323.348 0.353 20 0 DCADRL C[C@@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(=O)[O-] ZINC000736605967 599774234 /nfs/dbraw/zinc/77/42/34/599774234.db2.gz YFAMUOSHJDQLOS-ZETCQYMHSA-N -2 0 321.358 0.673 20 0 DCADRL Cn1nccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000044593588 600054869 /nfs/dbraw/zinc/05/48/69/600054869.db2.gz KDKNFQVPWXFMOG-UHFFFAOYSA-N -2 0 311.319 0.684 20 0 DCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)c2cscn2)c1 ZINC000740235720 600056968 /nfs/dbraw/zinc/05/69/68/600056968.db2.gz KOTSCPHJFZCIQX-UHFFFAOYSA-N -2 0 312.328 0.960 20 0 DCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)CCc1cccs1 ZINC000739692242 600464725 /nfs/dbraw/zinc/46/47/25/600464725.db2.gz NCAHXYWMPPTMIS-UHFFFAOYSA-N -2 0 305.377 0.992 20 0 DCADRL COc1cccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000035651635 600673026 /nfs/dbraw/zinc/67/30/26/600673026.db2.gz VUNBMMWMRUKUTC-UHFFFAOYSA-N -2 0 311.319 0.777 20 0 DCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])c(F)c1 ZINC000832954579 600802763 /nfs/dbraw/zinc/80/27/63/600802763.db2.gz IYBYLARXWWGFSL-JGVFFNPUSA-N -2 0 301.295 0.660 20 0 DCADRL O=C([O-])[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@H]2CCOC2)C1 ZINC000833183197 601240236 /nfs/dbraw/zinc/24/02/36/601240236.db2.gz ATEPGPBXQAGDQK-AEJSXWLSSA-N -2 0 305.352 0.112 20 0 DCADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)s1 ZINC000832995722 601250304 /nfs/dbraw/zinc/25/03/04/601250304.db2.gz IGASWYGWQSCIAJ-UHFFFAOYSA-N -2 0 316.364 0.842 20 0 DCADRL CN(C(=O)c1cnc([O-])n(C)c1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000767022505 601341824 /nfs/dbraw/zinc/34/18/24/601341824.db2.gz CBXSMILTBKCYAK-LLVKDONJSA-N -2 0 317.301 0.384 20 0 DCADRL O=C([O-])C1CCN(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@H]2C2CC2)CC1 ZINC000833191959 601364049 /nfs/dbraw/zinc/36/40/49/601364049.db2.gz OZRYBKPEDUNAPO-MNOVXSKESA-N -2 0 316.379 0.190 20 0 DCADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])O1 ZINC000828207729 602030329 /nfs/dbraw/zinc/03/03/29/602030329.db2.gz PQAZPVNBDMAZNQ-NKWVEPMBSA-N -2 0 319.360 0.819 20 0 DCADRL Cc1ccnc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])c1 ZINC000738799009 603045606 /nfs/dbraw/zinc/04/56/06/603045606.db2.gz YCLICJQRTYRMBH-UHFFFAOYSA-N -2 0 301.324 0.243 20 0 DCADRL CC(C)C[C@@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000824211132 603439228 /nfs/dbraw/zinc/43/92/28/603439228.db2.gz NJBBJJILCMPERE-SECBINFHSA-N -2 0 319.339 0.303 20 0 DCADRL COc1ccccc1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)[O-] ZINC000829644209 603472314 /nfs/dbraw/zinc/47/23/14/603472314.db2.gz MZFZQJHVCLGVLA-SSDOTTSWSA-N -2 0 302.308 0.156 20 0 DCADRL O=C([O-])NCCCNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000832617367 603571009 /nfs/dbraw/zinc/57/10/09/603571009.db2.gz WPDSSCYMMRHMFQ-UHFFFAOYSA-N -2 0 304.306 0.965 20 0 DCADRL O=C([O-])NCC1(C(=O)[N-]S(=O)(=O)CC2CC2)CCCC1 ZINC000832442934 603788825 /nfs/dbraw/zinc/78/88/25/603788825.db2.gz GXYWQWPWQGLEBR-UHFFFAOYSA-N -2 0 304.368 0.670 20 0 DCADRL O=C([O-])NCC1(C(=O)NCCCc2n[nH]c(=O)[n-]2)CCCC1 ZINC000832438210 603803073 /nfs/dbraw/zinc/80/30/73/603803073.db2.gz IXANZXRZVKWDQL-UHFFFAOYSA-N -2 0 311.342 0.387 20 0 DCADRL O=C([O-])N1CC[C@](F)(C(=O)[N-]S(=O)(=O)c2cccs2)C1 ZINC000831908482 604151555 /nfs/dbraw/zinc/15/15/55/604151555.db2.gz STABZRKHYDKVAB-SNVBAGLBSA-N -2 0 322.339 0.645 20 0 DCADRL O=C([O-])N[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccc2)C1 ZINC000832279812 604207904 /nfs/dbraw/zinc/20/79/04/604207904.db2.gz SMCHDCGAGMEIQZ-UWVGGRQHSA-N -2 0 312.347 0.928 20 0 DCADRL C[C@H](CC(=O)NCc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[O-])CC1 ZINC000824671752 604270290 /nfs/dbraw/zinc/27/02/90/604270290.db2.gz LFYAIWABUQSZCA-MRVPVSSYSA-N -2 0 311.342 0.543 20 0 DCADRL Cn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)nc1Cl ZINC000833055244 604398137 /nfs/dbraw/zinc/39/81/37/604398137.db2.gz DSAQKBCIXSKNEM-UHFFFAOYSA-N -2 0 319.730 0.155 20 0 DCADRL O=C([O-])NC1(C(=O)[N-]S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000832175540 604641147 /nfs/dbraw/zinc/64/11/47/604641147.db2.gz FPIRFEPYKUISSY-RMKNXTFCSA-N -2 0 310.331 0.904 20 0 DCADRL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000833406811 604880661 /nfs/dbraw/zinc/88/06/61/604880661.db2.gz JLKGQQALHRGSQD-ZCFIWIBFSA-N -2 0 305.283 0.618 20 0 DCADRL Cc1cccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c1C(=O)[O-] ZINC000833753251 604881293 /nfs/dbraw/zinc/88/12/93/604881293.db2.gz IECMOXDQBRVXQV-QMMMGPOBSA-N -2 0 301.320 0.787 20 0 DCADRL CC(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC000833484953 604882302 /nfs/dbraw/zinc/88/23/02/604882302.db2.gz UMXMCIBDOONSQA-MRVPVSSYSA-N -2 0 305.308 0.755 20 0 DCADRL CC(C)[C@@H](NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000833508142 604882653 /nfs/dbraw/zinc/88/26/53/604882653.db2.gz KQXNQOKJYIEZAY-LLVKDONJSA-N -2 0 315.347 0.913 20 0 DCADRL O=C([O-])COc1ccc(NC(=O)c2n[nH]c(=O)[n-]2)cc1Cl ZINC000833258555 604942969 /nfs/dbraw/zinc/94/29/69/604942969.db2.gz RZZZGPZQJIXWST-UHFFFAOYSA-N -2 0 312.669 0.879 20 0 DCADRL COc1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])ncn1 ZINC000833729294 605264704 /nfs/dbraw/zinc/26/47/04/605264704.db2.gz JQHUPTLSZAAYFZ-UHFFFAOYSA-N -2 0 313.295 0.016 20 0 DCADRL O=C([O-])N1CC[C@@H](S(=O)(=O)[N-]C(=O)[C@@H]2CC=CCC2)C1 ZINC000831747723 605277060 /nfs/dbraw/zinc/27/70/60/605277060.db2.gz LHDMUDQHYABBRT-NXEZZACHSA-N -2 0 302.352 0.541 20 0 DCADRL C[C@H](C(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1)C(C)(C)C ZINC000823704240 605277687 /nfs/dbraw/zinc/27/76/87/605277687.db2.gz RGLVKVDKBUVCAY-RKDXNWHRSA-N -2 0 306.384 0.867 20 0 DCADRL CC(F)(F)CCC(=O)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000825057347 605278645 /nfs/dbraw/zinc/27/86/45/605278645.db2.gz UUKRQRQPYSCFRE-SSDOTTSWSA-N -2 0 314.310 0.620 20 0 DCADRL O=C([O-])N1CC[C@H](S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC000831748337 605281992 /nfs/dbraw/zinc/28/19/92/605281992.db2.gz YXIZHGAGZPKKSD-UKKRHICBSA-N -2 0 316.379 0.621 20 0 DCADRL O=C(Cc1ccsc1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831562847 605283801 /nfs/dbraw/zinc/28/38/01/605283801.db2.gz VDTBZOHLIMYNNJ-SECBINFHSA-N -2 0 318.376 0.489 20 0 DCADRL CCCS(=O)(=O)[N-]C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000826944963 605420069 /nfs/dbraw/zinc/42/00/69/605420069.db2.gz OGHDEIKNTWRYBQ-QMMMGPOBSA-N -2 0 310.397 0.328 20 0 DCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000834232817 605639624 /nfs/dbraw/zinc/63/96/24/605639624.db2.gz YNUHWXJXNLKKHQ-UHFFFAOYSA-N -2 0 318.326 0.820 20 0 DCADRL O=C([O-])N1CC(C(=O)[N-]S(=O)(=O)Cc2cccc(F)c2)C1 ZINC000834050730 605640100 /nfs/dbraw/zinc/64/01/00/605640100.db2.gz BMOMMFWZZNEMDD-UHFFFAOYSA-N -2 0 316.310 0.382 20 0 DCADRL Cn1nccc1S(=O)(=O)[N-]c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833759668 605785624 /nfs/dbraw/zinc/78/56/24/605785624.db2.gz PLMPODZVTSOUKS-UHFFFAOYSA-N -2 0 321.318 0.795 20 0 DCADRL O=C([O-])N1CC[C@H](CCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1 ZINC000834077484 605965740 /nfs/dbraw/zinc/96/57/40/605965740.db2.gz XNWNBWXKXKPWOK-QWRGUYRKSA-N -2 0 322.369 0.686 20 0 DCADRL COCCN(CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833884448 606049379 /nfs/dbraw/zinc/04/93/79/606049379.db2.gz LZXCVQXVFADGOE-HNNXBMFYSA-N -2 0 324.333 0.729 20 0 DCADRL O=C([O-])CCN(C(=O)[C@@H]1CCN(C(=O)[O-])C1)C1CCOCC1 ZINC000834060769 606051286 /nfs/dbraw/zinc/05/12/86/606051286.db2.gz VLPSLBYPGHITHC-SNVBAGLBSA-N -2 0 314.338 0.469 20 0 DCADRL O=C([O-])C[C@H]1CSCCN1C(=O)CN(CC1CC1)C(=O)[O-] ZINC000834061106 606051337 /nfs/dbraw/zinc/05/13/37/606051337.db2.gz OJLQZCHPHHLPMX-JTQLQIEISA-N -2 0 316.379 0.795 20 0 DCADRL O=C([O-])N[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1 ZINC000834124581 606053005 /nfs/dbraw/zinc/05/30/05/606053005.db2.gz XYCWJFMPDLVSDL-NEPJUHHUSA-N -2 0 322.317 0.697 20 0 DCADRL O=C([O-])N[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000834124584 606053365 /nfs/dbraw/zinc/05/33/65/606053365.db2.gz XYCWJFMPDLVSDL-NWDGAFQWSA-N -2 0 322.317 0.697 20 0 DCADRL O=C([O-])Nc1ccc(CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000834255525 606060111 /nfs/dbraw/zinc/06/01/11/606060111.db2.gz JNFBEGBEECTKDA-LLVKDONJSA-N -2 0 308.290 0.631 20 0 DCADRL O=C([O-])c1csc(CNC(=O)C2CCN(C(=O)[O-])CC2)n1 ZINC000834282798 606061159 /nfs/dbraw/zinc/06/11/59/606061159.db2.gz GHSAXVNKCMRZER-UHFFFAOYSA-N -2 0 313.335 0.848 20 0 DCADRL O=C([O-])N1CCC(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)CC1 ZINC000834073675 606065028 /nfs/dbraw/zinc/06/50/28/606065028.db2.gz IJAXJLXMXWCTHO-CYBMUJFWSA-N -2 0 302.302 0.792 20 0 DCADRL O=C([O-])C[C@H](NC(=O)CNC(=O)[O-])c1ccc(F)cc1F ZINC000834060034 606068302 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C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(=O)[O-])C(=O)[O-] ZINC001604190459 1169519531 /nfs/dbraw/zinc/51/95/31/1169519531.db2.gz LOBSPAYPOHWSAM-LURJTMIESA-N -2 0 302.308 0.165 20 0 DCADRL C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-] ZINC001604186899 1169519761 /nfs/dbraw/zinc/51/97/61/1169519761.db2.gz YTWJXPPQDMPUDD-LURJTMIESA-N -2 0 305.283 0.523 20 0 DCADRL COCCS(=O)(=O)[N-]c1cccc(C(=O)N(C)C)c1[O-] ZINC001259972488 947044872 /nfs/dbraw/zinc/04/48/72/947044872.db2.gz GRDZFTVTSBPGQY-UHFFFAOYSA-N -2 0 302.352 0.482 20 0 DCADRL NC(=O)c1ccncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260183865 947080398 /nfs/dbraw/zinc/08/03/98/947080398.db2.gz FJXBGGWHBDWEHM-UHFFFAOYSA-N -2 0 321.314 0.680 20 0 DCADRL C[C@@H](C(=O)[O-])[C@H](C)NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001604350371 1169563972 /nfs/dbraw/zinc/56/39/72/1169563972.db2.gz UXFTYCAVLOGNTE-UTINFBMNSA-N -2 0 307.368 0.658 20 0 DCADRL CC1(C)CCCN(S(=O)(=O)CCCC(=O)[O-])[C@@H]1C(=O)[O-] ZINC001604536310 1169611062 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DCADRL O=C([O-])[C@@]1(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)CCCO1 ZINC001594871220 954359670 /nfs/dbraw/zinc/35/96/70/954359670.db2.gz WENAMMRUAXFSKM-AWEZNQCLSA-N -2 0 318.289 0.750 20 0 DCADRL O=C([O-])C1=NO[C@H](C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC001594891953 954538821 /nfs/dbraw/zinc/53/88/21/954538821.db2.gz ZSPUBKUAYFCGCO-VIFPVBQESA-N -2 0 318.245 0.198 20 0 DCADRL CC(C)[C@@]1(C)C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001602993701 972031753 /nfs/dbraw/zinc/03/17/53/972031753.db2.gz PYWZIIJBRXBYND-JVXZTZIISA-N -2 0 316.335 0.860 20 0 DCADRL O=C([O-])[C@H]1CN(C(=O)CCCc2nnn[n-]2)Cc2ccccc21 ZINC001594942313 954903561 /nfs/dbraw/zinc/90/35/61/954903561.db2.gz GRASHVSEMIYPCJ-LBPRGKRZSA-N -2 0 315.333 0.733 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC001593912127 955975398 /nfs/dbraw/zinc/97/53/98/955975398.db2.gz XKDKBVYSRBHTDT-JGVFFNPUSA-N -2 0 306.315 0.047 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)CCCC2CC2)on1 ZINC001594679379 956690435 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CCn1[n-]nnc1=NC(=O)N[C@H](C)C1CCN(C(=O)[O-])CC1 ZINC001571111710 961336956 /nfs/dbraw/zinc/33/69/56/961336956.db2.gz PLYZYEOQCBUVBY-MRVPVSSYSA-N -2 0 311.346 0.015 20 0 DCADRL O=C([O-])c1csc(NC(=O)CCCn2c(=O)[n-][nH]c2=O)c1 ZINC001571112801 961361646 /nfs/dbraw/zinc/36/16/46/961361646.db2.gz SEMHOBDQABAWCO-UHFFFAOYSA-N -2 0 312.307 0.868 20 0 DCADRL O=C([O-])c1nc(CNS(=O)(=O)c2ncc[n-]2)ccc1Cl ZINC001571130603 961538347 /nfs/dbraw/zinc/53/83/47/961538347.db2.gz FWJKUKFNAUINNO-UHFFFAOYSA-N -2 0 316.726 0.635 20 0 DCADRL CC[C@](CNC(=O)CCc1nnn[n-]1)(C(=O)[O-])c1ccccc1 ZINC001571133883 961602585 /nfs/dbraw/zinc/60/25/85/961602585.db2.gz YILHKYJWVYWNQQ-OAHLLOKOSA-N -2 0 317.349 0.681 20 0 DCADRL CCNC(=O)C(C)(C)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000312825198 963596887 /nfs/dbraw/zinc/59/68/87/963596887.db2.gz RFNCFWDEMRAFGC-UHFFFAOYSA-N -2 0 321.380 0.034 20 0 DCADRL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001603359796 972814639 /nfs/dbraw/zinc/81/46/39/972814639.db2.gz AJUCNLOCPGRWBX-RNFRBKRXSA-N -2 0 300.340 0.172 20 0 DCADRL O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCC(c3nnn[n-]3)CC2)CO1 ZINC001606107596 973299611 /nfs/dbraw/zinc/29/96/11/973299611.db2.gz LOTFMKVKYTXEOE-QWRGUYRKSA-N -2 0 323.353 0.176 20 0 DCADRL COc1cccc([C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)C(=O)[O-])c1 ZINC001604857366 974101764 /nfs/dbraw/zinc/10/17/64/974101764.db2.gz XMDANRAAGXCLJS-IUCAKERBSA-N -2 0 315.347 0.923 20 0 DCADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCC(=O)[O-] ZINC001591761222 975847708 /nfs/dbraw/zinc/84/77/08/975847708.db2.gz JNFGJCVEBZNEBV-UHFFFAOYSA-N -2 0 324.289 0.311 20 0 DCADRL CC(C)Oc1cccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])n1 ZINC001591791973 975991125 /nfs/dbraw/zinc/99/11/25/975991125.db2.gz VCOSWCHUOKRZPE-UHFFFAOYSA-N -2 0 316.335 0.403 20 0 DCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001591859114 976152990 /nfs/dbraw/zinc/15/29/90/976152990.db2.gz NBPXVUMTBSEUKU-BQBZGAKWSA-N -2 0 316.251 0.619 20 0 DCADRL CC(C)[C@H](NC(=O)c1nc[n-]c(=O)c1Br)C(=O)[O-] ZINC001591894172 976265516 /nfs/dbraw/zinc/26/55/16/976265516.db2.gz BAOIQRMDOSIOEK-LURJTMIESA-N -2 0 318.127 0.784 20 0 DCADRL CC(C)n1cnc([N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC001592145729 977005771 /nfs/dbraw/zinc/00/57/71/977005771.db2.gz SLJBDDFAOKQPIF-UHFFFAOYSA-N -2 0 317.352 0.815 20 0 DCADRL C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000716432556 977836776 /nfs/dbraw/zinc/83/67/76/977836776.db2.gz DORAJIHSZWRKDU-LURQLKTLSA-N -2 0 300.336 0.943 20 0 DCADRL C[C@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC001592722850 979227391 /nfs/dbraw/zinc/22/73/91/979227391.db2.gz LZPHLVXLEQYGGP-MRVPVSSYSA-N -2 0 301.320 0.313 20 0 DCADRL C[C@@H](CS(=O)(=O)N1CCCCCC[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001592797341 979440627 /nfs/dbraw/zinc/44/06/27/979440627.db2.gz CTIFHJWXIKMGQS-VHSXEESVSA-N -2 0 307.368 0.756 20 0 DCADRL C[C@H](CS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C(=O)[O-] ZINC001592808645 979483305 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DCADRL CC[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001597285599 987361072 /nfs/dbraw/zinc/36/10/72/987361072.db2.gz VVQVBCJBWAOYEA-SECBINFHSA-N -2 0 312.253 0.442 20 0 DCADRL CCc1ccc(NC(=O)C(=O)N(C)CCC(=O)[O-])c(C(=O)[O-])c1 ZINC001597535507 988204148 /nfs/dbraw/zinc/20/41/48/988204148.db2.gz KHTFOPKRRZPNCT-UHFFFAOYSA-N -2 0 322.317 0.819 20 0 DCADRL CC(C)(C)OC(=O)[C@@]1(C(=O)[N-]OCCCC(=O)[O-])CCCO1 ZINC001589851606 988380402 /nfs/dbraw/zinc/38/04/02/988380402.db2.gz ICFKDVUGEVARMX-AWEZNQCLSA-N -2 0 317.338 0.790 20 0 DCADRL CCc1nnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)[nH]1 ZINC001597645311 988664122 /nfs/dbraw/zinc/66/41/22/988664122.db2.gz RCDFPOIZNFRYBR-UHFFFAOYSA-N -2 0 302.337 0.928 20 0 DCADRL CCc1ncsc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001597710576 988966905 /nfs/dbraw/zinc/96/69/05/988966905.db2.gz LJTFPAUXUCFRRD-RNFRBKRXSA-N -2 0 320.392 0.874 20 0 DCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)NC/C=C\C(=O)[O-] ZINC001597784597 989294019 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CC[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001595172101 979740220 /nfs/dbraw/zinc/74/02/20/979740220.db2.gz ZMCHUECLLSWDEE-ZETCQYMHSA-N -2 0 302.308 0.169 20 0 DCADRL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C1CCOCC1 ZINC001595310401 980468145 /nfs/dbraw/zinc/46/81/45/980468145.db2.gz HIUXLYJZEBCIRR-SECBINFHSA-N -2 0 318.351 0.856 20 0 DCADRL CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001595446953 981094540 /nfs/dbraw/zinc/09/45/40/981094540.db2.gz DESGXPWJNCHOLT-GMTAPVOTSA-N -2 0 321.395 0.891 20 0 DCADRL CCCN(C)S(=O)(=O)[N-]C(=O)c1cccc(CC(=O)[O-])c1 ZINC001595839856 982757442 /nfs/dbraw/zinc/75/74/42/982757442.db2.gz YSVNJNDZRAOVKQ-UHFFFAOYSA-N -2 0 314.363 0.630 20 0 DCADRL CCCn1nc(C)c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1C ZINC001596118417 983453259 /nfs/dbraw/zinc/45/32/59/983453259.db2.gz ZKXSCJHKHFMQPF-VIFPVBQESA-N -2 0 317.367 0.443 20 0 DCADRL C[C@H]1CN(C(=O)c2ccc3oc(=O)nc-3[n-]2)C[C@@H](C(=O)[O-])O1 ZINC001599925749 985197020 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O=C([O-])c1cccc(CS(=O)(=O)[N-]C(=O)c2cncnc2)c1 ZINC001610846959 1171339789 /nfs/dbraw/zinc/33/97/89/1171339789.db2.gz MKWXSFQOGAIAET-UHFFFAOYSA-N -2 0 321.314 0.435 20 0 DCADRL O=C([O-])c1cn([C@H]2CCN(C(=O)c3c([O-])cccc3F)C2)nn1 ZINC001610858944 1171341816 /nfs/dbraw/zinc/34/18/16/1171341816.db2.gz QXNIALDHEHQYTN-QMMMGPOBSA-N -2 0 320.280 0.908 20 0 DCADRL O=C([N-]CC[N-]C(=O)C(F)(F)Br)C(F)(F)F ZINC001142770180 751459707 /nfs/dbraw/zinc/45/97/07/751459707.db2.gz PMGLFMPLHSTRBI-UHFFFAOYSA-N -2 0 313.020 0.769 20 0 DCADRL CC[C@H](C)n1c(=O)[nH]c(C)c(NCCOP(=O)([O-])[O-])c1=O ZINC001168591599 752663257 /nfs/dbraw/zinc/66/32/57/752663257.db2.gz DAJUZQCZEZDQLI-ZETCQYMHSA-N -2 0 321.270 0.750 20 0 DCADRL CNS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])cc1 ZINC001168591693 752664812 /nfs/dbraw/zinc/66/48/12/752664812.db2.gz WMMGKPKIDBHTPY-UHFFFAOYSA-N -2 0 310.268 0.116 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2ncccc2n1)[C@@H](O)C(=O)[O-] ZINC001230718477 768812869 /nfs/dbraw/zinc/81/28/69/768812869.db2.gz BDRSOLJYSBNNTQ-JVXZTZIISA-N -2 0 320.257 0.072 20 0 DCADRL O=C(Oc1ccc2ncccc2n1)[C@H](O)COP(=O)([O-])[O-] ZINC001230718592 768812989 /nfs/dbraw/zinc/81/29/89/768812989.db2.gz CQEZLXWEYMXBNL-SECBINFHSA-N -2 0 314.190 0.005 20 0 DCADRL Cc1cc2c[nH]nc2cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234037754 769533231 /nfs/dbraw/zinc/53/32/31/769533231.db2.gz QUYZSJUKDLGEDA-PRHODGIISA-N -2 0 322.273 0.313 20 0 DCADRL COc1cc(C)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C)c1 ZINC001234281795 769614231 /nfs/dbraw/zinc/61/42/31/769614231.db2.gz ZGWXJKZPCFDHGA-SNVBAGLBSA-N -2 0 320.234 0.688 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2cc(O)cnc21 ZINC001155109660 770402166 /nfs/dbraw/zinc/40/21/66/770402166.db2.gz JUOTWQUSRMQUOX-UHFFFAOYSA-N -2 0 312.218 0.780 20 0 DCADRL O=C(CCn1nnc2ccccc21)NCCOP(=O)([O-])[O-] ZINC001179996752 771045595 /nfs/dbraw/zinc/04/55/95/771045595.db2.gz PIWFAERSAASSHC-UHFFFAOYSA-N -2 0 314.238 0.047 20 0 DCADRL COc1ccc(S(=O)(=O)[N-]c2cn(C)cn2)cc1C(=O)[O-] ZINC001185259244 771891833 /nfs/dbraw/zinc/89/18/33/771891833.db2.gz DDMXFNBICXZNEI-UHFFFAOYSA-N -2 0 311.319 0.928 20 0 DCADRL COc1ccccc1CNC(=O)NCCOP(=O)([O-])[O-] ZINC001186151424 772012510 /nfs/dbraw/zinc/01/25/10/772012510.db2.gz FUAJMZIDDVMXSI-UHFFFAOYSA-N -2 0 304.239 0.604 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cc(C(F)(F)F)c[nH]1 ZINC001187703145 772212894 /nfs/dbraw/zinc/21/28/94/772212894.db2.gz CMUCGTZAFMYQPM-UHFFFAOYSA-N -2 0 302.145 0.873 20 0 DCADRL CN(Cc1n[n-]c(=O)o1)C(=O)c1n[n-]c2ccccc2c1=O ZINC001161476378 772230400 /nfs/dbraw/zinc/23/04/00/772230400.db2.gz MNRIUNDXBWASQT-UHFFFAOYSA-N -2 0 301.262 0.696 20 0 DCADRL CN(C(=O)c1ccccc1OP(=O)([O-])[O-])c1nccnc1N ZINC001189872661 772547676 /nfs/dbraw/zinc/54/76/76/772547676.db2.gz XHUNTDVARJBJFU-UHFFFAOYSA-N -2 0 324.233 0.807 20 0 DCADRL O=C([O-])C[C@H](C(=O)OCCc1ccc(O)cc1)[C@H](O)C(=O)[O-] ZINC001206724715 773101680 /nfs/dbraw/zinc/10/16/80/773101680.db2.gz LXJNMNKFDCGPAG-JQWIXIFHSA-N -2 0 312.274 0.014 20 0 DCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1cccc(Cl)n1 ZINC001198246481 773885137 /nfs/dbraw/zinc/88/51/37/773885137.db2.gz KEPAXWOFZBGGLL-UHFFFAOYSA-N -2 0 316.659 0.123 20 0 DCADRL NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cn1 ZINC001198742141 773969986 /nfs/dbraw/zinc/96/99/86/773969986.db2.gz WJUZTMDWAVBQEX-UHFFFAOYSA-N -2 0 321.314 0.680 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1[nH]nc2cc(F)ccc21 ZINC001154353316 775048109 /nfs/dbraw/zinc/04/81/09/775048109.db2.gz NRQJTDXSFGCIMA-UHFFFAOYSA-N -2 0 303.186 0.541 20 0 DCADRL CCc1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001222845285 775433385 /nfs/dbraw/zinc/43/33/85/775433385.db2.gz YJWDUHBHALBHAY-DGCLKSJQSA-N -2 0 310.302 0.829 20 0 DCADRL O=C(OCc1noc2ccccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001223610176 775504126 /nfs/dbraw/zinc/50/41/26/775504126.db2.gz XNYKTNWZQLKMIY-SECBINFHSA-N -2 0 317.190 0.341 20 0 DCADRL Cc1cnc(COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])s1 ZINC001223861383 775519902 /nfs/dbraw/zinc/51/99/02/775519902.db2.gz 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O=C([O-])C[C@@H](C(=O)Oc1nncc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001226391347 775811021 /nfs/dbraw/zinc/81/10/21/775811021.db2.gz BJNZODCKDBAXNF-MWLCHTKSSA-N -2 0 320.257 0.072 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cccc2ccncc21)[C@H](O)C(=O)[O-] ZINC001226614325 775847568 /nfs/dbraw/zinc/84/75/68/775847568.db2.gz IUMNOHXXBTXUAM-ZANVPECISA-N -2 0 319.269 0.677 20 0 DCADRL Cc1c(F)cccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226774658 775875457 /nfs/dbraw/zinc/87/54/57/775875457.db2.gz NKYXIGHREIANOB-RDDDGLTNSA-N -2 0 300.238 0.576 20 0 DCADRL CC(=O)Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001226853070 775886240 /nfs/dbraw/zinc/88/62/40/775886240.db2.gz YBFBQJBFBSDWGL-AAEUAGOBSA-N -2 0 324.285 0.260 20 0 DCADRL CCC(=O)c1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001226956765 775902444 /nfs/dbraw/zinc/90/24/44/775902444.db2.gz CKVBFSQTLSHWRO-LLVKDONJSA-N -2 0 318.218 0.655 20 0 DCADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1CCC2 ZINC001227233953 775948355 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O=C([O-])c1ccccc1CC(=O)N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001595255243 949592203 /nfs/dbraw/zinc/59/22/03/949592203.db2.gz SBGGTHXPOSJHMU-LLVKDONJSA-N -2 0 317.305 0.041 20 0 DCADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001594996618 951086501 /nfs/dbraw/zinc/08/65/01/951086501.db2.gz BMAVJJWOWJHCSF-UHFFFAOYSA-N -2 0 314.275 0.203 20 0 DCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC001595152797 952147679 /nfs/dbraw/zinc/14/76/79/952147679.db2.gz HSVREGXCJLVHBN-UHFFFAOYSA-N -2 0 316.726 0.817 20 0 DCADRL CN(C)c1cccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)c1 ZINC001593712541 954192986 /nfs/dbraw/zinc/19/29/86/954192986.db2.gz HCKNSUJYGKQBNN-UHFFFAOYSA-N -2 0 324.362 0.985 20 0 DCADRL C[C@H]1CN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)CC[C@@H]1C(=O)[O-] ZINC001589406988 954468932 /nfs/dbraw/zinc/46/89/32/954468932.db2.gz NKDYKVJEXYDPJA-IUCAKERBSA-N -2 0 320.353 0.468 20 0 DCADRL Cc1oc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1C(=O)[O-] ZINC001594505759 955355214 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JBQYEMSGUFFPLB-MRVPVSSYSA-N -2 0 301.682 0.792 20 0 DCADRL Cc1cc(=O)n2nc(NC(=O)c3cc(C(=O)[O-])ccn3)[n-]c2n1 ZINC001600065936 1168111014 /nfs/dbraw/zinc/11/10/14/1168111014.db2.gz RJHZLHMWQGYYLF-UHFFFAOYSA-N -2 0 314.261 0.072 20 0 DCADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]N2CCCC2=O)c1F ZINC001600117005 1168122189 /nfs/dbraw/zinc/12/21/89/1168122189.db2.gz ZCPIGPFTDDLEKB-UHFFFAOYSA-N -2 0 316.310 0.648 20 0 DCADRL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@H](O)C(=O)[O-])n1 ZINC001600232175 1168142834 /nfs/dbraw/zinc/14/28/34/1168142834.db2.gz UGHOVNTUAGEAME-JTQLQIEISA-N -2 0 323.280 0.201 20 0 DCADRL Cc1cc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-])oc1C(=O)[O-] ZINC001600296469 1168158020 /nfs/dbraw/zinc/15/80/20/1168158020.db2.gz CMHHYPQFFJGEOQ-BQBZGAKWSA-N -2 0 305.308 0.674 20 0 DCADRL Cc1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c(C(=O)[O-])c1C ZINC001600458206 1168188576 /nfs/dbraw/zinc/18/85/76/1168188576.db2.gz ORUQNAROUKPXGB-UHFFFAOYSA-N -2 0 304.262 0.850 20 0 DCADRL Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001600609661 1168212309 /nfs/dbraw/zinc/21/23/09/1168212309.db2.gz HBGRVGDWKMWUHP-UHFFFAOYSA-N -2 0 305.377 0.910 20 0 DCADRL Cc1nc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)nn1C ZINC001600717900 1168260859 /nfs/dbraw/zinc/26/08/59/1168260859.db2.gz OCLKHJVMUKVZEE-UHFFFAOYSA-N -2 0 302.337 0.684 20 0 DCADRL Cn1cc(C(=O)[O-])c([N-]S(=O)(=O)CCOCC2CC2)n1 ZINC001600940369 1168520523 /nfs/dbraw/zinc/52/05/23/1168520523.db2.gz OHFAUUAYTCATER-UHFFFAOYSA-N -2 0 303.340 0.287 20 0 DCADRL Cn1cc(NC(=O)C(=O)[N-]OC/C=C/Cl)cc1C(=O)[O-] ZINC001600960574 1168533133 /nfs/dbraw/zinc/53/31/33/1168533133.db2.gz NGZGYDLIDPXEJB-NSCUHMNNSA-N -2 0 301.686 0.462 20 0 DCADRL Cn1cc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)cc1C(=O)[O-] ZINC001600961601 1168534389 /nfs/dbraw/zinc/53/43/89/1168534389.db2.gz XYBVNPRRHGLGAU-JTQLQIEISA-N -2 0 311.294 0.236 20 0 DCADRL Cn1[n-]c(C(=O)N2Cc3cc(O)ccc3C[C@H]2C(=O)[O-])cc1=O ZINC001600999675 1168556306 /nfs/dbraw/zinc/55/63/06/1168556306.db2.gz XDRJUXPUXQOSDX-LBPRGKRZSA-N -2 0 317.301 0.483 20 0 DCADRL O=C([O-])c1cc2n(n1)CCC[C@@H]2NC(=O)CCCc1nnn[n-]1 ZINC001601272060 1168684604 /nfs/dbraw/zinc/68/46/04/1168684604.db2.gz NDFPZTKARNZJTH-QMMMGPOBSA-N -2 0 319.325 0.068 20 0 DCADRL O=C([O-])C1=CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCOCC2)C1 ZINC001601473295 1168757942 /nfs/dbraw/zinc/75/79/42/1168757942.db2.gz HGUQJUURABERCB-SNVBAGLBSA-N -2 0 312.322 0.340 20 0 DCADRL O=C([O-])[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC001601562356 1168781673 /nfs/dbraw/zinc/78/16/73/1168781673.db2.gz IPSYLZQGZVWBAD-VHSXEESVSA-N -2 0 311.315 0.147 20 0 DCADRL O=C([O-])[C@@H](O)C1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC001601686118 1168817673 /nfs/dbraw/zinc/81/76/73/1168817673.db2.gz VOSOJBRSXBQZNY-NSHDSACASA-N -2 0 315.272 0.968 20 0 DCADRL O=C([O-])C1(C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)CC1 ZINC001601702920 1168820407 /nfs/dbraw/zinc/82/04/07/1168820407.db2.gz VKBLOVMFEZYDQL-UHFFFAOYSA-N -2 0 303.278 0.582 20 0 DCADRL O=C([O-])C12CCC(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)(CC1)C2 ZINC001601729934 1168836554 /nfs/dbraw/zinc/83/65/54/1168836554.db2.gz JZPXKDIVYZCIRP-ISAOAKOHSA-N -2 0 319.365 0.941 20 0 DCADRL O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1cc(F)cc(F)c1[O-] ZINC001601940762 1168942222 /nfs/dbraw/zinc/94/22/22/1168942222.db2.gz IGUQGWOOYLNIRP-VIFPVBQESA-N -2 0 314.244 0.086 20 0 DCADRL O=C([O-])C[C@H]1CCC[N@H+](CC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC001601951211 1168945088 /nfs/dbraw/zinc/94/50/88/1168945088.db2.gz DINNWGZWQSAMKT-LLVKDONJSA-N -2 0 312.366 0.496 20 0 DCADRL O=C([O-])CCCCNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001601989748 1168953598 /nfs/dbraw/zinc/95/35/98/1168953598.db2.gz YDPVVZJTPPBNEU-UHFFFAOYSA-N -2 0 307.349 0.980 20 0 DCADRL O=C([O-])CCCS(=O)(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC001601998444 1168956044 /nfs/dbraw/zinc/95/60/44/1168956044.db2.gz FXSHDWZHYDPQKT-SNVBAGLBSA-N -2 0 307.368 0.758 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCc1cncc2ccccc21 ZINC001602097889 1168994147 /nfs/dbraw/zinc/99/41/47/1168994147.db2.gz XXYBQWBPWTVELC-UHFFFAOYSA-N -2 0 322.342 0.698 20 0 DCADRL O=C([O-])[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001602197502 1169022941 /nfs/dbraw/zinc/02/29/41/1169022941.db2.gz IPHLVWVSROKNGQ-XVKPBYJWSA-N -2 0 307.274 0.717 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)on1 ZINC001602295385 1169050608 /nfs/dbraw/zinc/05/06/08/1169050608.db2.gz WEEWPMRGODUDNH-YIZRAAEISA-N -2 0 314.319 0.242 20 0 DCADRL O=C([O-])c1ccc(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)cn1 ZINC001602317974 1169058359 /nfs/dbraw/zinc/05/83/59/1169058359.db2.gz ITMTUTMFFSIKET-VIFPVBQESA-N -2 0 316.321 0.388 20 0 DCADRL O=C([O-])c1ccc([N-]S(=O)(=O)CCOCC2CC2)nc1 ZINC001602384284 1169066282 /nfs/dbraw/zinc/06/62/82/1169066282.db2.gz JCSGVATXODCIEN-UHFFFAOYSA-N -2 0 300.336 0.948 20 0 DCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1 ZINC001602396482 1169070043 /nfs/dbraw/zinc/07/00/43/1169070043.db2.gz UWWCJKLKMKTUQE-SECBINFHSA-N -2 0 305.283 0.476 20 0 DCADRL O=C([O-])c1nscc1S(=O)(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001602587818 1169127611 /nfs/dbraw/zinc/12/76/11/1169127611.db2.gz FLWPUOVUMWIZQL-NTSWFWBYSA-N -2 0 320.348 0.373 20 0 DCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)c1nn(C)cc1Cl ZINC001603190914 1169270301 /nfs/dbraw/zinc/27/03/01/1169270301.db2.gz YNCOMWCPWRQDQY-NTSWFWBYSA-N -2 0 323.758 0.242 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C(C)(C)c1cccnc1 ZINC001603201881 1169273162 /nfs/dbraw/zinc/27/31/62/1169273162.db2.gz OEYMWNJGPFBJKE-MRVPVSSYSA-N -2 0 300.336 0.278 20 0 DCADRL CC(C)(CS(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-])C(=O)[O-] ZINC001603660796 1169347235 /nfs/dbraw/zinc/34/72/35/1169347235.db2.gz QWBKFBNUVJTKFE-SECBINFHSA-N -2 0 307.368 0.660 20 0 DCADRL CC(C)CCS(=O)(=O)[N-]C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001603798569 1169393962 /nfs/dbraw/zinc/39/39/62/1169393962.db2.gz AGJQZFJWILQLFV-WDEREUQCSA-N -2 0 321.395 0.748 20 0 DCADRL CC(C)CO[C@@H](C)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001603822591 1169404723 /nfs/dbraw/zinc/40/47/23/1169404723.db2.gz XDAAGYMQLYPHCR-VIFPVBQESA-N -2 0 309.384 0.604 20 0 DCADRL CC(C)OC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CCC1 ZINC001603913194 1169432991 /nfs/dbraw/zinc/43/29/91/1169432991.db2.gz NRKJMENGCXNEIA-UHFFFAOYSA-N -2 0 321.395 0.891 20 0 DCADRL CC(C)O[N-]C(=O)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001603929133 1169439038 /nfs/dbraw/zinc/43/90/38/1169439038.db2.gz MTOHSASWMVXEGU-UHFFFAOYSA-N -2 0 309.322 0.846 20 0 DCADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1ccnc1 ZINC001604068097 1169486449 /nfs/dbraw/zinc/48/64/49/1169486449.db2.gz JUXAWPIGRXYZEZ-VIFPVBQESA-N -2 0 317.367 0.391 20 0 DCADRL C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001604129548 1169501862 /nfs/dbraw/zinc/50/18/62/1169501862.db2.gz IBSWCDAKUIIONE-JGVFFNPUSA-N -2 0 304.324 0.466 20 0 DCADRL C[C@@H](NC(=O)C1CCCCC1)C(=O)[N-]OCCCC(=O)[O-] ZINC001604269219 1169539595 /nfs/dbraw/zinc/53/95/95/1169539595.db2.gz LVVWZZJYVIKWPO-SNVBAGLBSA-N -2 0 300.355 0.984 20 0 DCADRL C[C@H](NC(=O)CN(CCC(=O)[O-])CC(=O)[O-])c1cccs1 ZINC001604275369 1169544226 /nfs/dbraw/zinc/54/42/26/1169544226.db2.gz MZQRPYAGJGLBHN-VIFPVBQESA-N -2 0 314.363 0.787 20 0 DCADRL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001604490491 1169602940 /nfs/dbraw/zinc/60/29/40/1169602940.db2.gz VDHCTOIHGBDDNO-QPUJVOFHSA-N -2 0 317.319 0.900 20 0 DCADRL C[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@H](C(=O)[O-])C1 ZINC001604742897 1169667615 /nfs/dbraw/zinc/66/76/15/1169667615.db2.gz FSAXWZBRXPHHBG-BDAKNGLRSA-N -2 0 312.326 0.181 20 0 DCADRL CCCCNC(=O)CCS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001605280879 1169884775 /nfs/dbraw/zinc/88/47/75/1169884775.db2.gz JLVBKGUKFOVCPA-UHFFFAOYSA-N -2 0 303.340 0.188 20 0 DCADRL CCCc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)[nH]c(C)c1C(=O)[O-] ZINC001605363781 1169904680 /nfs/dbraw/zinc/90/46/80/1169904680.db2.gz BXYOWWVQTMHSIR-JTQLQIEISA-N -2 0 324.333 0.899 20 0 DCADRL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001605615176 1169973060 /nfs/dbraw/zinc/97/30/60/1169973060.db2.gz LNWQNVNWHNDIOP-SFYZADRCSA-N -2 0 317.319 0.516 20 0 DCADRL CCn1[n-]nnc1=NC(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001605951950 1170033280 /nfs/dbraw/zinc/03/32/80/1170033280.db2.gz MQBUFEBCCOETKQ-QMMMGPOBSA-N -2 0 304.310 0.947 20 0 DCADRL Cc1cnc([N-]S(=O)(=O)c2cncc(-c3nn[nH]n3)c2)nc1 ZINC001605980485 1170040228 /nfs/dbraw/zinc/04/02/28/1170040228.db2.gz DRRABMKCONCSRC-UHFFFAOYSA-N -2 0 318.322 0.161 20 0 DCADRL COC(=O)[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C1CC1 ZINC001606343011 1170163001 /nfs/dbraw/zinc/16/30/01/1170163001.db2.gz QRLDTCGGTCLSPD-SECBINFHSA-N -2 0 305.352 0.112 20 0 DCADRL COC[C@H](NC(=O)c1ccc(C=CC(=O)[O-])o1)c1nnn[n-]1 ZINC001606812480 1170297671 /nfs/dbraw/zinc/29/76/71/1170297671.db2.gz GPDMOHDOAASLKV-WGAJWPLOSA-N -2 0 307.266 0.008 20 0 DCADRL COC[C@@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001606819653 1170300325 /nfs/dbraw/zinc/30/03/25/1170300325.db2.gz VNZLDPOPNHCBCL-SSDOTTSWSA-N -2 0 309.727 0.424 20 0 DCADRL 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ZINC001223190047 775471881 /nfs/dbraw/zinc/47/18/81/775471881.db2.gz JLIZIYOAMUEYLY-PSASIEDQSA-N -2 0 302.304 0.636 20 0 DCADRL O=C(OCc1ccc2ocnc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001223811455 775516734 /nfs/dbraw/zinc/51/67/34/775516734.db2.gz IDVBVVIUPDZGGO-SECBINFHSA-N -2 0 317.190 0.341 20 0 DCADRL COc1cc(F)ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225347569 775668998 /nfs/dbraw/zinc/66/89/98/775668998.db2.gz IVYXVSWAEAOXOR-SSDOTTSWSA-N -2 0 310.170 0.210 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccccc1[S-])[C@@H](O)C(=O)[O-] ZINC001225588762 775696753 /nfs/dbraw/zinc/69/67/53/775696753.db2.gz WIPWZCPLJUVRNZ-LHLIQPBNSA-N -3 0 300.288 0.417 20 0 DCADRL COc1ccc(F)cc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225648872 775703520 /nfs/dbraw/zinc/70/35/20/775703520.db2.gz BKVNIRUMJUKCDV-SSDOTTSWSA-N -2 0 310.170 0.210 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc(Cl)c1F)[C@@H](O)C(=O)[O-] ZINC001225727217 775710795 /nfs/dbraw/zinc/71/07/95/775710795.db2.gz WZUPLNPKHMBLGO-GPXNAGAYSA-N -2 0 320.656 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O=C([O-])C[C@H](C(=O)Oc1cccc2n[nH]cc21)[C@@H](O)C(=O)[O-] ZINC001226617433 775847445 /nfs/dbraw/zinc/84/74/45/775847445.db2.gz NCQCQGSEJSZJTJ-UPONEAKYSA-N -2 0 308.246 0.005 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2cc[nH]c2n1)[C@H](O)C(=O)[O-] ZINC001226806730 775879496 /nfs/dbraw/zinc/87/94/96/775879496.db2.gz FDJHOCFUBSDMPA-XVKPBYJWSA-N -2 0 308.246 0.005 20 0 DCADRL CC[C@H]1OC(=O)C(Oc2[n-]c(=O)nc3c(=O)[n-]c(=O)[nH]c23)=C1C ZINC001226888396 775891054 /nfs/dbraw/zinc/89/10/54/775891054.db2.gz PXHMGPCLZHGRKX-RXMQYKEDSA-N -2 0 320.261 0.525 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cc(F)ccc1Cl)[C@@H](O)C(=O)[O-] ZINC001226979565 775905495 /nfs/dbraw/zinc/90/54/95/775905495.db2.gz SOZQSRFVPSBBGG-QUBYGPBYSA-N -2 0 320.656 0.921 20 0 DCADRL Cc1[nH]nc2c1cccc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227078164 775924958 /nfs/dbraw/zinc/92/49/58/775924958.db2.gz ASDWQTWFPOZANP-QPUJVOFHSA-N -2 0 322.273 0.313 20 0 DCADRL Cc1cccc2[nH]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc21 ZINC001227267276 775953440 /nfs/dbraw/zinc/95/34/40/775953440.db2.gz ANAMMFVLKRMJQX-MRVPVSSYSA-N -2 0 316.206 0.247 20 0 DCADRL COCc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227674779 775995795 /nfs/dbraw/zinc/99/57/95/775995795.db2.gz LECDCXBQDUYXLK-CMPLNLGQSA-N -2 0 312.274 0.275 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cc(O)ccc1Cl)[C@@H](O)C(=O)[O-] ZINC001228230193 776057943 /nfs/dbraw/zinc/05/79/43/776057943.db2.gz ODEIRFQDSJNKOX-QUBYGPBYSA-N -2 0 318.665 0.487 20 0 DCADRL Cc1cc2cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc2[nH]1 ZINC001228450675 776084406 /nfs/dbraw/zinc/08/44/06/776084406.db2.gz KNLVHFQMOMQDCQ-GWCFXTLKSA-N -2 0 321.285 0.918 20 0 DCADRL CCC(=O)c1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228455559 776084594 /nfs/dbraw/zinc/08/45/94/776084594.db2.gz XEYKFKCEIQNXRN-NOZJJQNGSA-N -2 0 324.285 0.721 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccnc(Cl)c1F)[C@@H](O)C(=O)[O-] ZINC001228581035 776099819 /nfs/dbraw/zinc/09/98/19/776099819.db2.gz 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C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)c1cnn(CCF)c1 ZINC001603187277 1169270344 /nfs/dbraw/zinc/27/03/44/1169270344.db2.gz FZEBANZEMNWAOQ-YUMQZZPRSA-N -2 0 321.330 0.021 20 0 DCADRL Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001611210033 970936782 /nfs/dbraw/zinc/93/67/82/970936782.db2.gz FGIQMRZLPUZHLQ-UHFFFAOYSA-N -2 0 321.314 0.602 20 0 DCADRL COc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cn1 ZINC001260221864 947085727 /nfs/dbraw/zinc/08/57/27/947085727.db2.gz XPRCYSMGHBABRO-UHFFFAOYSA-N -2 0 309.303 0.984 20 0 DCADRL C[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC001602806700 971591696 /nfs/dbraw/zinc/59/16/96/971591696.db2.gz SXEUYSIJXIYWRR-YFKPBYRVSA-N -2 0 314.275 0.059 20 0 DCADRL C[C@@H](CN(C)C(=O)C1(CC(=O)[O-])CCOCC1)c1nnn[n-]1 ZINC001589022126 955480712 /nfs/dbraw/zinc/48/07/12/955480712.db2.gz LAMXPXJTKUQWEN-VIFPVBQESA-N -2 0 311.342 0.033 20 0 DCADRL COC(=O)c1ccoc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1 ZINC001593891161 955783784 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DCADRL Cc1ncc(S(=O)(=O)N(C)CCC(=O)[O-])cc1C(=O)[O-] ZINC001594468624 959528105 /nfs/dbraw/zinc/52/81/05/959528105.db2.gz OARQBBJEJGGHBH-UHFFFAOYSA-N -2 0 302.308 0.183 20 0 DCADRL O=C([O-])Cc1ccc(NC(=O)Cn2c(=O)[n-][nH]c2=O)cc1F ZINC001571105954 961268296 /nfs/dbraw/zinc/26/82/96/961268296.db2.gz BIAJEFOMRRNXTM-UHFFFAOYSA-N -2 0 310.241 0.094 20 0 DCADRL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001571151454 961807975 /nfs/dbraw/zinc/80/79/75/961807975.db2.gz XACSGONGJJRZJU-VIFPVBQESA-N -2 0 321.337 0.077 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCc3cccnc32)on1 ZINC001571159106 961901684 /nfs/dbraw/zinc/90/16/84/961901684.db2.gz YGQPYTHRSJRCQP-SECBINFHSA-N -2 0 323.330 0.776 20 0 DCADRL O=C([O-])[C@@H]1CC12CCN(C(=O)CCCn1c(=O)[n-][nH]c1=O)CC2 ZINC001571163560 961953610 /nfs/dbraw/zinc/95/36/10/961953610.db2.gz MRPKTPQXSXSVFF-VIFPVBQESA-N -2 0 324.337 0.183 20 0 DCADRL C[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001603380698 972951729 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C[C@H](CN(C)C(=O)c1nc[n-]c(=O)c1Br)C(=O)[O-] ZINC001592579532 978489083 /nfs/dbraw/zinc/48/90/83/978489083.db2.gz QWJAQIBXTHEZID-RXMQYKEDSA-N -2 0 318.127 0.737 20 0 DCADRL C[C@@H](CN(C)c1ccc(S(N)(=O)=O)cc1C(=O)[O-])C(=O)[O-] ZINC001592589090 978515380 /nfs/dbraw/zinc/51/53/80/978515380.db2.gz VENOGYXIEFVVFU-ZETCQYMHSA-N -2 0 316.335 0.189 20 0 DCADRL C[C@@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001592722287 979222737 /nfs/dbraw/zinc/22/27/37/979222737.db2.gz FQGVISACFZVEJL-ZETCQYMHSA-N -2 0 319.310 0.452 20 0 DCADRL CCC(CC)(NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC ZINC001595101939 979413963 /nfs/dbraw/zinc/41/39/63/979413963.db2.gz USTFQLBVQLVBSM-UHFFFAOYSA-N -2 0 319.335 0.988 20 0 DCADRL C[C@H](CS(=O)(=O)N(C)[C@H](C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC001592788608 979428857 /nfs/dbraw/zinc/42/88/57/979428857.db2.gz SYEMSEDELRNHLC-KOLCDFICSA-N -2 0 315.347 0.795 20 0 DCADRL C[C@H](CS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccn1)C(=O)[O-] ZINC001592807947 979479087 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CCn1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])n1 ZINC001597911785 989811539 /nfs/dbraw/zinc/81/15/39/989811539.db2.gz PFESOSHIZJSLRJ-UHFFFAOYSA-N -2 0 302.337 0.859 20 0 DCADRL CN(C(=O)CN1CCOC[C@@H]1C(=O)[O-])c1ccccc1C(=O)[O-] ZINC001598023034 990219371 /nfs/dbraw/zinc/21/93/71/990219371.db2.gz PYDQTAAUVFQBBR-GFCCVEGCSA-N -2 0 322.317 0.133 20 0 DCADRL CC(C)(CCNC(=O)C(=O)Nc1ccccc1C(=O)[O-])C(=O)[O-] ZINC001590670416 990370219 /nfs/dbraw/zinc/37/02/19/990370219.db2.gz TXUJOKLHDABBPL-UHFFFAOYSA-N -2 0 322.317 0.940 20 0 DCADRL CC(C)(CNS(=O)(=O)c1cc(F)ccc1C(=O)[O-])C(=O)[O-] ZINC001590766532 990571452 /nfs/dbraw/zinc/57/14/52/990571452.db2.gz XNWNZHDDFVRVKG-UHFFFAOYSA-N -2 0 319.310 0.913 20 0 DCADRL CN1C[C@@H](C(=O)[O-])N(C(=O)c2c([O-])cc(F)cc2F)CC1=O ZINC001598561464 993092173 /nfs/dbraw/zinc/09/21/73/993092173.db2.gz CDFIIQVRVYFVNF-QMMMGPOBSA-N -2 0 314.244 0.038 20 0 DCADRL COc1cccc(C[C@@H](NC(=O)c2cc(=O)n(C)[n-]2)C(=O)[O-])c1 ZINC001599669533 994786869 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COc1ccc(CCCC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001599554121 998061432 /nfs/dbraw/zinc/06/14/32/998061432.db2.gz WNEANJTWLYUVNB-UHFFFAOYSA-N -2 0 315.347 0.549 20 0 DCADRL COC[C@@H](C)S(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001599160085 998442155 /nfs/dbraw/zinc/44/21/55/998442155.db2.gz PDSHBYFAMLVFPW-SECBINFHSA-N -2 0 315.347 0.408 20 0 DCADRL COC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(C)C ZINC001599164763 998522468 /nfs/dbraw/zinc/52/24/68/998522468.db2.gz AZSYEYQVZGIAAW-QMMMGPOBSA-N -2 0 306.340 0.570 20 0 DCADRL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001594170754 998655358 /nfs/dbraw/zinc/65/53/58/998655358.db2.gz KMHYSXKUXIYODX-POYBYMJQSA-N -2 0 319.360 0.930 20 0 DCADRL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC001594204202 998786014 /nfs/dbraw/zinc/78/60/14/998786014.db2.gz WOMFEKYWAJJJOV-HTQZYQBOSA-N -2 0 317.319 0.598 20 0 DCADRL CO[C@@H](C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(C)C ZINC001599028718 999034777 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DCADRL CC(C)N(C)S(=O)(=O)[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001603869116 1169419493 /nfs/dbraw/zinc/41/94/93/1169419493.db2.gz DNXVWNHYPLLQMC-UHFFFAOYSA-N -2 0 314.363 0.629 20 0 DCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CC(C)(C(=O)[O-])C1 ZINC001603971648 1169460137 /nfs/dbraw/zinc/46/01/37/1169460137.db2.gz KVVULQFQLHJWOD-ZETCQYMHSA-N -2 0 310.272 0.623 20 0 DCADRL CC(C)n1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001604041195 1169476204 /nfs/dbraw/zinc/47/62/04/1169476204.db2.gz IPCAKXLXCWNFGT-UHFFFAOYSA-N -2 0 300.296 0.951 20 0 DCADRL C[C@@H](CC(=O)[O-])CC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001604105143 1169493607 /nfs/dbraw/zinc/49/36/07/1169493607.db2.gz OEFGYBHPBOKNHD-RNCFNFMXSA-N -2 0 303.322 0.906 20 0 DCADRL C[C@@]1(C(=O)[O-])CCCCN1S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001604490592 1169603418 /nfs/dbraw/zinc/60/34/18/1169603418.db2.gz VXPFNRVWONDHOF-LBPRGKRZSA-N -2 0 316.335 0.731 20 0 DCADRL C[C@H]1CCN(S(=O)(=O)CC2(C(=O)[O-])CCC2)[C@@H](C(=O)[O-])C1 ZINC001604757078 1169670332 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0.726 20 0 DCADRL CN(C)c1cc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)ncn1 ZINC001606050989 1170065710 /nfs/dbraw/zinc/06/57/10/1170065710.db2.gz BLRNUUFPJOZVLO-UHFFFAOYSA-N -2 0 323.334 0.437 20 0 DCADRL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC001606150201 1170094974 /nfs/dbraw/zinc/09/49/74/1170094974.db2.gz OJKTVDRPLNYBOS-UHFFFAOYSA-N -2 0 322.346 0.959 20 0 DCADRL COC(=O)[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C1CC1 ZINC001606343012 1170163347 /nfs/dbraw/zinc/16/33/47/1170163347.db2.gz QRLDTCGGTCLSPD-VIFPVBQESA-N -2 0 305.352 0.112 20 0 DCADRL COC(=O)c1[nH]cc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H](C)OC ZINC001606520638 1170228067 /nfs/dbraw/zinc/22/80/67/1170228067.db2.gz JSYCPNJBAHZBAY-LURJTMIESA-N -2 0 320.323 0.276 20 0 DCADRL COC1(C[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)[O-])CCC1 ZINC001606714259 1170272177 /nfs/dbraw/zinc/27/21/77/1170272177.db2.gz IZKVGWHCXGKFBK-BDAKNGLRSA-N -2 0 323.367 0.039 20 0 DCADRL COCCC1(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001606863291 1170316837 /nfs/dbraw/zinc/31/68/37/1170316837.db2.gz YKWFLPDOYGPTOS-UHFFFAOYSA-N -2 0 307.368 0.360 20 0 DCADRL COCCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCC1 ZINC001606866772 1170317926 /nfs/dbraw/zinc/31/79/26/1170317926.db2.gz OCPDTIMPWURLSZ-UHFFFAOYSA-N -2 0 304.324 0.610 20 0 DCADRL COCCO[N-]C(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC001606907210 1170328439 /nfs/dbraw/zinc/32/84/39/1170328439.db2.gz ZNTADXUBNSCQAR-UHFFFAOYSA-N -2 0 316.697 0.671 20 0 DCADRL COc1nc(C(=O)OCc2ccc(C(=O)[O-])cn2)cc(=O)[n-]1 ZINC001607356672 1170434802 /nfs/dbraw/zinc/43/48/02/1170434802.db2.gz DSUCYNXDSIHNSW-UHFFFAOYSA-N -2 0 305.246 0.641 20 0 DCADRL COc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001607362143 1170436614 /nfs/dbraw/zinc/43/66/14/1170436614.db2.gz AMSWGBOSSRFDOQ-UHFFFAOYSA-N -2 0 301.280 0.521 20 0 DCADRL CSCCCNC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001607397342 1170446253 /nfs/dbraw/zinc/44/62/53/1170446253.db2.gz ZLMJYQOOYFDFBM-BDAKNGLRSA-N -2 0 304.368 0.699 20 0 DCADRL Cc1[nH]c(C(=O)NCCCc2n[nH]c(=O)[n-]2)c(C)c1C(=O)[O-] ZINC001607490997 1170465820 /nfs/dbraw/zinc/46/58/20/1170465820.db2.gz JHEJDSLAPNXLSS-UHFFFAOYSA-N -2 0 307.310 0.516 20 0 DCADRL Cc1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])co2)no1 ZINC001607949094 1170531147 /nfs/dbraw/zinc/53/11/47/1170531147.db2.gz OGFXKPJIMBJGSN-RXMQYKEDSA-N -2 0 301.280 0.709 20 0 DCADRL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001608000865 1170544698 /nfs/dbraw/zinc/54/46/98/1170544698.db2.gz OIHRKMGEOBEDIY-UHFFFAOYSA-N -2 0 317.367 0.207 20 0 DCADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc(C)n(C)n2)c1C(=O)[O-] ZINC001608043239 1170557482 /nfs/dbraw/zinc/55/74/82/1170557482.db2.gz NOSVFQZRDJJCCV-UHFFFAOYSA-N -2 0 314.323 0.832 20 0 DCADRL Cc1oc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)cc1C(=O)[O-] ZINC001608053883 1170559838 /nfs/dbraw/zinc/55/98/38/1170559838.db2.gz OIFSYSPTNZQZRO-QMMMGPOBSA-N -2 0 317.319 0.772 20 0 DCADRL Cn1cnc(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c1 ZINC001608135300 1170588395 /nfs/dbraw/zinc/58/83/95/1170588395.db2.gz NAVSWSYRWJKJFA-UHFFFAOYSA-N -2 0 321.318 0.795 20 0 DCADRL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001608492898 1170691325 /nfs/dbraw/zinc/69/13/25/1170691325.db2.gz CGICQCFKJSHUKZ-KXEKKFMESA-N -2 0 302.290 0.006 20 0 DCADRL O=C([O-])c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1 ZINC001608507823 1170693420 /nfs/dbraw/zinc/69/34/20/1170693420.db2.gz RYPCROBXDZFAPH-QMMMGPOBSA-N -2 0 324.264 0.396 20 0 DCADRL O=C([O-])C1CC2(C1)CN(C(=O)c1cncc(F)c1)C[C@@H]2C(=O)[O-] ZINC001608610931 1170719615 /nfs/dbraw/zinc/71/96/15/1170719615.db2.gz OHGWULRVDKZOPR-QMJNDHNRSA-N -2 0 322.292 0.858 20 0 DCADRL O=C([O-])CCCS(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC001608718280 1170742820 /nfs/dbraw/zinc/74/28/20/1170742820.db2.gz HIBYMHALDZGPBC-LLVKDONJSA-N -2 0 301.320 0.597 20 0 DCADRL O=C([O-])CCNC(=O)COC(=O)c1cc(F)c([O-])c(F)c1 ZINC001608729448 1170746221 /nfs/dbraw/zinc/74/62/21/1170746221.db2.gz KTBIDPCSZPHXOT-UHFFFAOYSA-N -2 0 303.217 0.418 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CC1C2CC3CC(C2)CC1C3 ZINC001608766512 1170752241 /nfs/dbraw/zinc/75/22/41/1170752241.db2.gz PITJEHXICCZAKE-UHFFFAOYSA-N -2 0 315.391 0.979 20 0 DCADRL O=C([O-])Cn1cc([N-]S(=O)(=O)c2cccc3c2OCC3)cn1 ZINC001608798362 1170756076 /nfs/dbraw/zinc/75/60/76/1170756076.db2.gz ZMZZMKCSKFFVNP-UHFFFAOYSA-N -2 0 323.330 0.703 20 0 DCADRL CC(C)(CNS(=O)(=O)c1csnc1C(=O)[O-])C(=O)[O-] ZINC001609676498 1171063193 /nfs/dbraw/zinc/06/31/93/1171063193.db2.gz NDSQGFYHPPAYRI-UHFFFAOYSA-N -2 0 308.337 0.230 20 0 DCADRL C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1cccn1 ZINC001609727049 1171075654 /nfs/dbraw/zinc/07/56/54/1171075654.db2.gz ULKSBVVQUQOMBQ-SECBINFHSA-N -2 0 317.367 0.391 20 0 DCADRL C[C@@H](CSCCNS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)[O-] ZINC001609749974 1171078030 /nfs/dbraw/zinc/07/80/30/1171078030.db2.gz QJQTZMWCVLOUFN-YUMQZZPRSA-N -2 0 313.397 0.080 20 0 DCADRL C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC001609782923 1171083932 /nfs/dbraw/zinc/08/39/32/1171083932.db2.gz BSWONAGMRCTLGZ-BQBZGAKWSA-N -2 0 319.310 0.911 20 0 DCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001609837550 1171100513 /nfs/dbraw/zinc/10/05/13/1171100513.db2.gz CDFQDMPSFIZROQ-SFYZADRCSA-N -2 0 317.319 0.709 20 0 DCADRL CC1CCC(OCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CC1 ZINC001609850503 1171103424 /nfs/dbraw/zinc/10/34/24/1171103424.db2.gz UQRVFKNXIXAFNS-UHFFFAOYSA-N -2 0 321.395 0.893 20 0 DCADRL C[C@@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])[C@@H]1C(=O)[O-] ZINC001609859747 1171105047 /nfs/dbraw/zinc/10/50/47/1171105047.db2.gz GLYZCOCFNTVFDU-XRGYYRRGSA-N -2 0 320.348 0.325 20 0 DCADRL C[C@H]1CCN(S(=O)(=O)c2csnc2C(=O)[O-])[C@H]1C(=O)[O-] ZINC001609859748 1171105290 /nfs/dbraw/zinc/10/52/90/1171105290.db2.gz GLYZCOCFNTVFDU-YLWLKBPMSA-N -2 0 320.348 0.325 20 0 DCADRL CCOC(=O)c1[nH]c(=O)n(-c2ccc(C)c(C(=O)[O-])c2)c1[O-] ZINC001610014114 1171140069 /nfs/dbraw/zinc/14/00/69/1171140069.db2.gz KDIGMKWZHKAXBW-JTQLQIEISA-N -2 0 306.274 0.681 20 0 DCADRL CCc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])nn1C ZINC001610054929 1171147129 /nfs/dbraw/zinc/14/71/29/1171147129.db2.gz IHYYBPLRGIXAIX-SFYZADRCSA-N -2 0 317.367 0.151 20 0 DCADRL CCn1nccc1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001610086439 1171153733 /nfs/dbraw/zinc/15/37/33/1171153733.db2.gz OWSHIIPFHIBDMT-UHFFFAOYSA-N -2 0 302.337 0.859 20 0 DCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c(Cl)c1 ZINC001610312598 1171218678 /nfs/dbraw/zinc/21/86/78/1171218678.db2.gz BWBDQPAPNYMUES-LURJTMIESA-N -2 0 321.738 0.881 20 0 DCADRL C[C@H](OCc1ccccc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001610395489 1171229182 /nfs/dbraw/zinc/22/91/82/1171229182.db2.gz BUTPCMZATXJSBH-JTQLQIEISA-N -2 0 315.347 0.512 20 0 DCADRL Cc1c(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)cccc1C(=O)[O-] ZINC001610418171 1171232884 /nfs/dbraw/zinc/23/28/84/1171232884.db2.gz FRCZNZXGZZJPSO-JTQLQIEISA-N -2 0 322.317 0.716 20 0 DCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])nn1C(C)C ZINC001610437147 1171235387 /nfs/dbraw/zinc/23/53/87/1171235387.db2.gz UIESNDOVSKBDAZ-MRVPVSSYSA-N -2 0 303.340 0.305 20 0 DCADRL Cc1cccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)c1C(=O)[O-] ZINC001610525517 1171246851 /nfs/dbraw/zinc/24/68/51/1171246851.db2.gz ZVJQJIZRECUGKG-UHFFFAOYSA-N -2 0 313.331 0.931 20 0 DCADRL Cc1nc(C)c(S(=O)(=O)[N-]c2c(C(=O)[O-])cnn2C)s1 ZINC001610553945 1171252670 /nfs/dbraw/zinc/25/26/70/1171252670.db2.gz VKIKVUWYQBOTOC-UHFFFAOYSA-N -2 0 316.364 0.992 20 0 DCADRL Cc1nc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])nn1C ZINC001610558718 1171254645 /nfs/dbraw/zinc/25/46/45/1171254645.db2.gz WXLYUKXJURKHFS-UHFFFAOYSA-N -2 0 314.298 0.762 20 0 DCADRL O=C([O-])c1sccc1S(=O)(=O)[N-]C(=O)c1cncnc1 ZINC001610701204 1171295586 /nfs/dbraw/zinc/29/55/86/1171295586.db2.gz DIKGIGHVTYPZEV-UHFFFAOYSA-N -2 0 313.316 0.355 20 0 DCADRL O=C([O-])c1ccccc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001610700358 1171295696 /nfs/dbraw/zinc/29/56/96/1171295696.db2.gz PZNHOZHHTWLJLV-SECBINFHSA-N -2 0 308.290 0.408 20 0 DCADRL O=C([O-])C12CC(C(=O)[N-]S(=O)(=O)[C@H]3C[C@@H]4CC[C@H]3C4)(C1)C2 ZINC001610730288 1171300095 /nfs/dbraw/zinc/30/00/95/1171300095.db2.gz JVCAEAJUEWXYTO-IPHCSCHLSA-N -2 0 313.375 0.876 20 0 DCADRL O=C([O-])/C=C\CNS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001610750463 1171310196 /nfs/dbraw/zinc/31/01/96/1171310196.db2.gz LBKGLRCILZBAFY-UPHRSURJSA-N -2 0 303.267 0.443 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C1(c2ccc(F)cc2)CC1 ZINC001610789334 1171324227 /nfs/dbraw/zinc/32/42/27/1171324227.db2.gz JQHMGTQBNPUXAE-UHFFFAOYSA-N -2 0 301.295 0.388 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C[C@@H]1CCOc2ccccc21 ZINC001610789385 1171324512 /nfs/dbraw/zinc/32/45/12/1171324512.db2.gz MSQAVJRXOLOZTC-VIFPVBQESA-N -2 0 313.331 0.473 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)CCCOc1cccc(F)c1 ZINC001610789530 1171326569 /nfs/dbraw/zinc/32/65/69/1171326569.db2.gz XFMGGIFJWNCTJF-UHFFFAOYSA-N -2 0 319.310 0.515 20 0 DCADRL O=C([O-])c1ccnc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC001610856297 1171341483 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COC(=O)c1nc2nc(NCCOP(=O)([O-])[O-])ccc2[nH]1 ZINC001168591832 752664660 /nfs/dbraw/zinc/66/46/60/752664660.db2.gz FEMCOUFTYJCLOX-UHFFFAOYSA-N -2 0 316.210 0.266 20 0 DCADRL CCOC(=O)c1cc(C)nc(NCCOP(=O)([O-])[O-])n1 ZINC001157787885 762816389 /nfs/dbraw/zinc/81/63/89/762816389.db2.gz UZTHVGXIPQUSKP-UHFFFAOYSA-N -2 0 305.227 0.483 20 0 DCADRL Cc1cc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2n[nH]cc21 ZINC001233743753 769438667 /nfs/dbraw/zinc/43/86/67/769438667.db2.gz KJNBUSWKNWUAFT-QPUJVOFHSA-N -2 0 322.273 0.313 20 0 DCADRL COc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1C ZINC001234277720 769613969 /nfs/dbraw/zinc/61/39/69/769613969.db2.gz JODUGCZUXZBRHV-SKDRFNHKSA-N -2 0 312.274 0.445 20 0 DCADRL COc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1C ZINC001234277406 769614481 /nfs/dbraw/zinc/61/44/81/769614481.db2.gz DZEFHEQSYZTATH-SECBINFHSA-N -2 0 306.207 0.379 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1nc2ccsc2[n-]1)[C@H](O)C(=O)[O-] ZINC001234849037 769720746 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ZINC001226535736 775830604 /nfs/dbraw/zinc/83/06/04/775830604.db2.gz QFBPXOWCQDRWLT-SKDRFNHKSA-N -2 0 323.257 0.578 20 0 DCADRL O=C(Oc1ncnc2ccsc21)[C@H](O)COP(=O)([O-])[O-] ZINC001226626838 775849999 /nfs/dbraw/zinc/84/99/99/775849999.db2.gz VNJDSODACFPRGS-ZCFIWIBFSA-N -2 0 320.219 0.067 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cnnc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001226891481 775893522 /nfs/dbraw/zinc/89/35/22/775893522.db2.gz KWKMROPPJOAYKL-QPUJVOFHSA-N -2 0 320.257 0.072 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2[nH]cnc2c1)[C@H](O)C(=O)[O-] ZINC001226930045 775897682 /nfs/dbraw/zinc/89/76/82/775897682.db2.gz ODGVRUVVIPZOKB-HQJQHLMTSA-N -2 0 308.246 0.005 20 0 DCADRL COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c(C)c1 ZINC001227137684 775934597 /nfs/dbraw/zinc/93/45/97/775934597.db2.gz SQISKGBKHAHZKD-SKDRFNHKSA-N -2 0 312.274 0.445 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cccc2[nH]ccc21)[C@@H](O)C(=O)[O-] ZINC001228179888 776055037 /nfs/dbraw/zinc/05/50/37/776055037.db2.gz KROCZYRPCMCJLC-QPUJVOFHSA-N -2 0 307.258 0.610 20 0 DCADRL Cc1nc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2o1 ZINC001228336822 776073405 /nfs/dbraw/zinc/07/34/05/776073405.db2.gz YSANBFMQKJHEBX-UFBFGSQYSA-N -2 0 323.257 0.578 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ncc(Cl)cc1F)[C@H](O)C(=O)[O-] ZINC001228833238 776128723 /nfs/dbraw/zinc/12/87/23/776128723.db2.gz BSTMIZWCNHQQAF-XRGYYRRGSA-N -2 0 321.644 0.316 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2c1C(=O)CC2)[C@@H](O)C(=O)[O-] ZINC001228833828 776129140 /nfs/dbraw/zinc/12/91/40/776129140.db2.gz RLKIEDZVRAONOO-AMIZOPFISA-N -2 0 322.269 0.257 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2c(c1)OCC2)[C@@H](O)C(=O)[O-] ZINC001228996035 776146020 /nfs/dbraw/zinc/14/60/20/776146020.db2.gz AFTLDPAXWRKXSY-JOYOIKCWSA-N -2 0 310.258 0.063 20 0 DCADRL O=S(=O)([O-])c1cc(O)c(OC2CCC2)c(S(=O)(=O)[O-])c1 ZINC001230145875 776257781 /nfs/dbraw/zinc/25/77/81/776257781.db2.gz FVOWOPKLFCYGGN-UHFFFAOYSA-N -2 0 324.332 0.817 20 0 DCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC001600833956 1168479213 /nfs/dbraw/zinc/47/92/13/1168479213.db2.gz UGLYMMIXEWDBPU-MRVPVSSYSA-N -2 0 317.319 0.914 20 0 DCADRL Cc1oc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CCC2)cc1C(=O)[O-] ZINC001600855665 1168487744 /nfs/dbraw/zinc/48/77/44/1168487744.db2.gz TZIYJGKEOZUAKR-SNVBAGLBSA-N -2 0 317.319 0.818 20 0 DCADRL Cc1sc(NC(=O)C(=O)NCCC(=O)[O-])c(C(=O)[O-])c1C ZINC001600883038 1168494355 /nfs/dbraw/zinc/49/43/55/1168494355.db2.gz HHKPGKYGFKGJBJ-UHFFFAOYSA-N -2 0 314.319 0.593 20 0 DCADRL O=C([O-])CC1(CS(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)CC1 ZINC001601921414 1168935372 /nfs/dbraw/zinc/93/53/72/1168935372.db2.gz DVPMBXYFZDTNMF-SECBINFHSA-N -2 0 303.336 0.334 20 0 DCADRL Cc1cc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)ccc1C(=O)[O-] ZINC001600250250 970783378 /nfs/dbraw/zinc/78/33/78/970783378.db2.gz HXCRJNMWMILIST-JTQLQIEISA-N -2 0 322.317 0.716 20 0 DCADRL O=c1[nH]cnc([O-])c1[N-]S(=O)(=O)c1c(F)cccc1F ZINC001259064415 946908077 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CCO[N-]C(=O)CNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001591998390 951278000 /nfs/dbraw/zinc/27/80/00/951278000.db2.gz QCFLJVBSCXMDPI-UHFFFAOYSA-N -2 0 301.343 0.341 20 0 DCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cccc3c2OCC3)n1 ZINC001595160370 952191121 /nfs/dbraw/zinc/19/11/21/952191121.db2.gz LQORKRQIWNCALH-UHFFFAOYSA-N -2 0 324.318 0.098 20 0 DCADRL CCc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](OC)C(=O)[O-])cc1 ZINC001593641071 953645782 /nfs/dbraw/zinc/64/57/82/953645782.db2.gz XLJVCACKNKUYPD-SNVBAGLBSA-N -2 0 301.320 0.154 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)C(F)=C2CCCC2)on1 ZINC001594785072 953660511 /nfs/dbraw/zinc/66/05/11/953660511.db2.gz JEFPCBZHDVWMAG-UHFFFAOYSA-N -2 0 318.282 0.975 20 0 DCADRL O=C([O-])[C@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CC=CCC1 ZINC001594850594 954180644 /nfs/dbraw/zinc/18/06/44/954180644.db2.gz KZXSGLGPNVOLOM-XHDPSFHLSA-N -2 0 319.365 0.792 20 0 DCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CC[C@@H]2CCCO2)CCC1 ZINC001594867737 954322008 /nfs/dbraw/zinc/32/20/08/954322008.db2.gz ROTFMEMUYBDTDO-VIFPVBQESA-N -2 0 305.352 0.256 20 0 DCADRL C[C@@H]1CN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)CC[C@H]1C(=O)[O-] ZINC001589406989 954468778 /nfs/dbraw/zinc/46/87/78/954468778.db2.gz NKDYKVJEXYDPJA-RKDXNWHRSA-N -2 0 320.353 0.468 20 0 DCADRL O=C([O-])C1CN(C(=O)c2nc[n-]c(=O)c2Br)C1 ZINC001594951412 954954199 /nfs/dbraw/zinc/95/41/99/954954199.db2.gz UMWIQJKMODOIOJ-UHFFFAOYSA-N -2 0 302.084 0.101 20 0 DCADRL O=C([O-])C1CN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])C1 ZINC001594953295 954967112 /nfs/dbraw/zinc/96/71/12/954967112.db2.gz FZEYFCBTUYTEBY-UHFFFAOYSA-N -2 0 305.265 0.874 20 0 DCADRL O=C([O-])C=Cc1cc(C(=O)NC2(c3nnn[n-]3)CCC2)co1 ZINC001594969886 955098623 /nfs/dbraw/zinc/09/86/23/955098623.db2.gz OMQITMCSFCISCQ-IHWYPQMZSA-N -2 0 303.278 0.700 20 0 DCADRL CO[C@](C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC001593926485 956132264 /nfs/dbraw/zinc/13/22/64/956132264.db2.gz IZUYIESWFXCFOX-LBPRGKRZSA-N -2 0 301.320 0.290 20 0 DCADRL O=C(C=C1CCCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594667382 956589396 /nfs/dbraw/zinc/58/93/96/956589396.db2.gz HNTGZGUPSCKSOL-UHFFFAOYSA-N -2 0 300.292 0.678 20 0 DCADRL O=C([O-])c1ccccc1CC(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC001594709990 956873545 /nfs/dbraw/zinc/87/35/45/956873545.db2.gz USOSTXQKBOOQEY-JTQLQIEISA-N -2 0 313.331 0.162 20 0 DCADRL CN(C)c1ncccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000037040971 957260046 /nfs/dbraw/zinc/26/00/46/957260046.db2.gz LOVIQMHVGYWUPF-UHFFFAOYSA-N -2 0 310.335 0.975 20 0 DCADRL O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cc([O-])cc(F)c1 ZINC001571084211 961027836 /nfs/dbraw/zinc/02/78/36/961027836.db2.gz GUCAURUNORELQF-VHSXEESVSA-N -2 0 305.283 0.052 20 0 DCADRL O=C([O-])c1ccc(C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)cc1 ZINC001571125790 961493987 /nfs/dbraw/zinc/49/39/87/961493987.db2.gz LRAZMIQHSBDDAA-SNVBAGLBSA-N -2 0 315.333 0.993 20 0 DCADRL O=C([O-])Cc1occc1C(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001571143490 961699707 /nfs/dbraw/zinc/69/97/07/961699707.db2.gz ZXZKBRLNMGEXEV-VIFPVBQESA-N -2 0 319.321 0.515 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCc3cccnc32)on1 ZINC001571159108 961901584 /nfs/dbraw/zinc/90/15/84/961901584.db2.gz YGQPYTHRSJRCQP-VIFPVBQESA-N -2 0 323.330 0.776 20 0 DCADRL O=C([O-])[C@@H](O)CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC001571160152 961919532 /nfs/dbraw/zinc/91/95/32/961919532.db2.gz URGCVPDEXAKTLA-JTQLQIEISA-N -2 0 323.280 0.282 20 0 DCADRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H](CF)C(=O)[O-] ZINC000262885918 961959103 /nfs/dbraw/zinc/95/91/03/961959103.db2.gz HMKNDUVBVWRQIR-VIFPVBQESA-N -2 0 322.289 0.350 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCC2CCCC2)on1 ZINC000315735197 963931293 /nfs/dbraw/zinc/93/12/93/963931293.db2.gz DAUMRUMMVDJHCA-UHFFFAOYSA-N -2 0 318.351 0.858 20 0 DCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001603359797 972814753 /nfs/dbraw/zinc/81/47/53/972814753.db2.gz AJUCNLOCPGRWBX-RQJHMYQMSA-N -2 0 300.340 0.172 20 0 DCADRL O=C([O-])C1(c2noc(Cn3[n-]cc4c(=O)ncnc3-4)n2)CCC1 ZINC001605963530 972938440 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311.319 0.928 20 0 DCADRL COc1n[nH]c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n1 ZINC000317768727 970385847 /nfs/dbraw/zinc/38/58/47/970385847.db2.gz WZLFCSVIMOLDDX-QPJJXVBHSA-N -2 0 324.318 0.712 20 0 DCADRL CSCCO[N-]C(=O)C(=O)NC1CCC(C(=O)[O-])CC1 ZINC001607399660 970388679 /nfs/dbraw/zinc/38/86/79/970388679.db2.gz DYNFVIIDNCEONI-UHFFFAOYSA-N -2 0 304.368 0.157 20 0 DCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2)cn1 ZINC001605823794 972557472 /nfs/dbraw/zinc/55/74/72/972557472.db2.gz MHEXBVYQUHJPCN-UHFFFAOYSA-N -2 0 312.328 0.960 20 0 DCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CSc2n[nH]c(=O)[n-]2)C1 ZINC001603359795 972815435 /nfs/dbraw/zinc/81/54/35/972815435.db2.gz AJUCNLOCPGRWBX-NKWVEPMBSA-N -2 0 300.340 0.172 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@@H]1CC2CCC1CC2 ZINC001604434500 973230749 /nfs/dbraw/zinc/23/07/49/973230749.db2.gz LFRHIOIJAAOLRA-YDYPAMBWSA-N -2 0 305.352 0.111 20 0 DCADRL CO[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1sc(C)cc1C ZINC001604435036 973233459 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CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])n(C)n2)cn1 ZINC001592131775 976969650 /nfs/dbraw/zinc/96/96/50/976969650.db2.gz YCJBAPGITFDGCS-UHFFFAOYSA-N -2 0 313.339 0.697 20 0 DCADRL COC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC000703816080 977206268 /nfs/dbraw/zinc/20/62/68/977206268.db2.gz BSJPUIJOMMPCQN-UHFFFAOYSA-N -2 0 304.324 0.609 20 0 DCADRL C[C@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])[C@@H]1CCCO1 ZINC001592258477 977496923 /nfs/dbraw/zinc/49/69/23/977496923.db2.gz IHQGGXKEMORLDM-ZJUUUORDSA-N -2 0 321.395 0.748 20 0 DCADRL C[C@H](CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(=O)[O-] ZINC001592586542 978509768 /nfs/dbraw/zinc/50/97/68/978509768.db2.gz PCLMNCZKFGGMEY-SSDOTTSWSA-N -2 0 319.310 0.865 20 0 DCADRL C[C@H](CN(C)S(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001592588873 978514569 /nfs/dbraw/zinc/51/45/69/978514569.db2.gz QBFVVBVGYAJLGN-RXMQYKEDSA-N -2 0 308.337 0.183 20 0 DCADRL C[C@H](CNC(=O)C(=O)Nc1sccc1C(=O)[O-])C(=O)[O-] ZINC001592636264 978617777 /nfs/dbraw/zinc/61/77/77/978617777.db2.gz NMZMHGLKEPWSLN-RXMQYKEDSA-N -2 0 300.292 0.222 20 0 DCADRL C[C@H](CNS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001592723889 979234290 /nfs/dbraw/zinc/23/42/90/979234290.db2.gz ZPTJKANERIGYKU-RXMQYKEDSA-N -2 0 323.273 0.662 20 0 DCADRL C[C@H](CS(=O)(=O)N[C@@H](C)c1nc(C(=O)[O-])cs1)C(=O)[O-] ZINC001592815873 979511164 /nfs/dbraw/zinc/51/11/64/979511164.db2.gz LDIQBMVISRBMSZ-RITPCOANSA-N -2 0 322.364 0.542 20 0 DCADRL C[C@H](Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001592853023 979640897 /nfs/dbraw/zinc/64/08/97/979640897.db2.gz AWWSVVFZNANOFE-MRVPVSSYSA-N -2 0 303.311 0.535 20 0 DCADRL CC[C@H](CNS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(=O)[O-] ZINC001595167802 979724678 /nfs/dbraw/zinc/72/46/78/979724678.db2.gz CDDBUBBVWPCZGJ-OPRDCNLKSA-N -2 0 307.368 0.660 20 0 DCADRL CC[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001595172100 979740402 /nfs/dbraw/zinc/74/04/02/979740402.db2.gz ZMCHUECLLSWDEE-SSDOTTSWSA-N -2 0 302.308 0.169 20 0 DCADRL CC[C@@H]1CCCC[C@H]1OCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001595446955 981094572 /nfs/dbraw/zinc/09/45/72/981094572.db2.gz DESGXPWJNCHOLT-HBNTYKKESA-N -2 0 321.395 0.891 20 0 DCADRL CC[C@@H](C)C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)[O-] ZINC001594952546 982670933 /nfs/dbraw/zinc/67/09/33/982670933.db2.gz GZFMIUBLBWOXNZ-XCBNKYQSSA-N -2 0 318.351 0.881 20 0 DCADRL CC[C@@H](C)N(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594982813 982783620 /nfs/dbraw/zinc/78/36/20/982783620.db2.gz WUIIXNMJTKPHIM-SSDOTTSWSA-N -2 0 305.308 0.852 20 0 DCADRL CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001596175118 983542424 /nfs/dbraw/zinc/54/24/24/983542424.db2.gz UWUZCVVPMRHQAT-SECBINFHSA-N -2 0 309.384 0.858 20 0 DCADRL CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001596516400 984298568 /nfs/dbraw/zinc/29/85/68/984298568.db2.gz MFBXILALTALSAE-NKWVEPMBSA-N -2 0 320.323 0.239 20 0 DCADRL C/C(=C/C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C1CC1 ZINC001588942858 984637820 /nfs/dbraw/zinc/63/78/20/984637820.db2.gz RSVSBRJNMLIPQQ-HJWRWDBZSA-N -2 0 316.379 0.500 20 0 DCADRL CCOC1(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CCCC1 ZINC001596798739 985308687 /nfs/dbraw/zinc/30/86/87/985308687.db2.gz WLGIETJFWUXQJL-ZJUUUORDSA-N -2 0 321.395 0.891 20 0 DCADRL Cc1[nH]c(C(=O)NCC2(C(=O)[O-])CCOCC2)c(C)c1C(=O)[O-] ZINC001599952212 985628154 /nfs/dbraw/zinc/62/81/54/985628154.db2.gz BCJHGSXSUGABHO-UHFFFAOYSA-N -2 0 324.333 0.941 20 0 DCADRL Cc1sc(Br)nc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC001450463841 1015156077 /nfs/dbraw/zinc/15/60/77/1015156077.db2.gz DBRHQIUEASUFHE-UHFFFAOYSA-N -2 0 320.128 0.601 20 0 DCADRL CC(=O)c1csc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1 ZINC001589322463 986131846 /nfs/dbraw/zinc/13/18/46/986131846.db2.gz COEHUGIFYQHQHV-LURJTMIESA-N -2 0 305.333 0.483 20 0 DCADRL C[C@H](C(=O)N1CCCCCC1)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589358825 986351513 /nfs/dbraw/zinc/35/15/13/986351513.db2.gz HRPKCLUGLHJQCH-LLVKDONJSA-N -2 0 300.355 0.639 20 0 DCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001589450243 986838388 /nfs/dbraw/zinc/83/83/88/986838388.db2.gz BZTHEJFUMJFKEK-AXTSPUMRSA-N -2 0 315.347 0.938 20 0 DCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ncccc1Cl ZINC001589454347 986877975 /nfs/dbraw/zinc/87/79/75/986877975.db2.gz NWBGHEKSXWBEDY-RNFRBKRXSA-N -2 0 320.754 0.904 20 0 DCADRL C[C@@H]1SC[C@@H](C(=O)[O-])N1S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001594660928 986939067 /nfs/dbraw/zinc/93/90/67/986939067.db2.gz VXDQOENLJQBCSD-BQBZGAKWSA-N -2 0 311.381 0.275 20 0 DCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1ccc(F)cc1F ZINC001589491132 987057523 /nfs/dbraw/zinc/05/75/23/987057523.db2.gz HSLHXELOUBOURU-LURJTMIESA-N -2 0 307.274 0.426 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1nccc2ccsc21 ZINC001589492061 987061344 /nfs/dbraw/zinc/06/13/44/987061344.db2.gz QNFAPWHBJLOOFZ-ZCFIWIBFSA-N -2 0 314.344 0.829 20 0 DCADRL CC[C@@H](NS(=O)(=O)c1c(C)csc1C(=O)[O-])C(=O)[O-] ZINC001597291813 987382768 /nfs/dbraw/zinc/38/27/68/987382768.db2.gz ZMOYMRQEDVJZOS-ZCFIWIBFSA-N -2 0 307.349 0.896 20 0 DCADRL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001589589140 987391939 /nfs/dbraw/zinc/39/19/39/987391939.db2.gz XPQXKYFNKXZVDJ-UHFFFAOYSA-N -3 0 321.332 0.362 20 0 DCADRL CC[C@H](NC(=O)C(=O)Nc1scc(C)c1C(=O)[O-])C(=O)[O-] ZINC001597343387 987482206 /nfs/dbraw/zinc/48/22/06/987482206.db2.gz VJQKOCPHTADBDY-LURJTMIESA-N -2 0 314.319 0.673 20 0 DCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)C(=O)[N-]OC2CCCC2)cn1 ZINC001589659726 987631722 /nfs/dbraw/zinc/63/17/22/987631722.db2.gz COBIOFUZRLNXHN-UHFFFAOYSA-N -2 0 324.337 0.632 20 0 DCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)cn1 ZINC001589672875 987677623 /nfs/dbraw/zinc/67/76/23/987677623.db2.gz QZAXUEBQEFRRQN-QMMMGPOBSA-N -2 0 310.310 0.641 20 0 DCADRL CC(C)(C(=O)[O-])n1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)n1 ZINC001589680695 987705354 /nfs/dbraw/zinc/70/53/54/987705354.db2.gz LWVIKNOHEBGZBU-SECBINFHSA-N -2 0 317.367 0.624 20 0 DCADRL 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ZINC001604761445 1169672811 /nfs/dbraw/zinc/67/28/11/1169672811.db2.gz RWQDMGFHPKJNCO-SVRRBLITSA-N -2 0 319.360 0.930 20 0 DCADRL CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605022626 1169782846 /nfs/dbraw/zinc/78/28/46/1169782846.db2.gz VXBNSHNLXFCTPB-QMMMGPOBSA-N -2 0 305.308 0.900 20 0 DCADRL CC[C@@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1C)C(=O)[O-] ZINC001605105342 1169825608 /nfs/dbraw/zinc/82/56/08/1169825608.db2.gz XZRYAAURHXSXEZ-SECBINFHSA-N -2 0 301.320 0.835 20 0 DCADRL CCCn1c(C)nnc1CS(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001605384801 1169910163 /nfs/dbraw/zinc/91/01/63/1169910163.db2.gz LEQVVGNNYNVVAQ-UHFFFAOYSA-N -2 0 313.339 0.392 20 0 DCADRL CCc1nc(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])c(C)o1 ZINC001605845466 1170010506 /nfs/dbraw/zinc/01/05/06/1170010506.db2.gz CUNFOGBXZKDGDG-UHFFFAOYSA-N -2 0 304.324 0.470 20 0 DCADRL CCc1nc(C)c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])o1 ZINC001605847567 1170011688 /nfs/dbraw/zinc/01/16/88/1170011688.db2.gz KGYFFCZKOVJYFZ-UHFFFAOYSA-N -2 0 304.324 0.470 20 0 DCADRL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(=O)[O-])C1 ZINC001606742740 1170276574 /nfs/dbraw/zinc/27/65/74/1170276574.db2.gz ROFGSBRTVTXHGQ-IVZWLZJFSA-N -2 0 311.338 0.812 20 0 DCADRL CO[N-]C(=O)CNC(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC001606996389 1170350125 /nfs/dbraw/zinc/35/01/25/1170350125.db2.gz SOMXJLUCXVOJCN-UHFFFAOYSA-N -2 0 307.266 0.060 20 0 DCADRL COc1ccc([C@H](NC(=O)c2[nH]nc(C)c2[O-])C(=O)[O-])cc1O ZINC001607229863 1170417815 /nfs/dbraw/zinc/41/78/15/1170417815.db2.gz RWQSPXUORNUUMQ-JTQLQIEISA-N -2 0 321.289 0.694 20 0 DCADRL COc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001607265308 1170419984 /nfs/dbraw/zinc/41/99/84/1170419984.db2.gz WKYGMFIYQUGCRA-UHFFFAOYSA-N -2 0 307.711 0.493 20 0 DCADRL CS[C@H](C)CNC(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001607388714 1170444273 /nfs/dbraw/zinc/44/42/73/1170444273.db2.gz DHIITPHGSNPTDV-HRDYMLBCSA-N -2 0 304.368 0.697 20 0 DCADRL CSc1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC001607410126 1170447275 /nfs/dbraw/zinc/44/72/75/1170447275.db2.gz QODUBYHRQXKWJB-VHSXEESVSA-N -2 0 315.372 0.934 20 0 DCADRL Cc1cc(C)cc(OCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1 ZINC001607628436 1170485562 /nfs/dbraw/zinc/48/55/62/1170485562.db2.gz PTRUCHOMVGSRKH-SNVBAGLBSA-N -2 0 315.347 0.601 20 0 DCADRL Cc1cc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])ccc1C(=O)[O-] ZINC001607672333 1170493594 /nfs/dbraw/zinc/49/35/94/1170493594.db2.gz KPVCIHHBFVDTNC-UHFFFAOYSA-N -2 0 322.317 0.859 20 0 DCADRL Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)ccc1C(=O)[O-] ZINC001607704214 1170498382 /nfs/dbraw/zinc/49/83/82/1170498382.db2.gz MVIUXRAUJGOLSH-VIFPVBQESA-N -2 0 313.331 0.788 20 0 DCADRL Cc1cccc2c(=O)n(CC(=O)[N-]OCCCC(=O)[O-])cnc12 ZINC001607866233 1170514423 /nfs/dbraw/zinc/51/44/23/1170514423.db2.gz NEDUSASSCUXITD-UHFFFAOYSA-N -2 0 319.317 0.618 20 0 DCADRL Cc1ccsc1[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001607902603 1170520034 /nfs/dbraw/zinc/52/00/34/1170520034.db2.gz YEJVKXPYGLSDPQ-YUMQZZPRSA-N -2 0 303.361 0.691 20 0 DCADRL Cc1n[nH]c(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])c1[O-] ZINC001607935064 1170527506 /nfs/dbraw/zinc/52/75/06/1170527506.db2.gz FPEQYCKJNJADOC-JTQLQIEISA-N -2 0 304.306 0.492 20 0 DCADRL O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](C(=O)[O-])c1cccs1 ZINC001608356349 1170658839 /nfs/dbraw/zinc/65/88/39/1170658839.db2.gz LBYYFXVVQVKGLA-SSDOTTSWSA-N -2 0 314.348 0.606 20 0 DCADRL O=C([O-])c1cccc(CC(=O)[N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC001608364639 1170659603 /nfs/dbraw/zinc/65/96/03/1170659603.db2.gz ZCULMOWLLQNQPA-NSHDSACASA-N -2 0 313.331 0.162 20 0 DCADRL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2n[nH]c(SCCO)n2)C1 ZINC001608622228 1170723817 /nfs/dbraw/zinc/72/38/17/1170723817.db2.gz OVQRFPBGUSRBMQ-YUMQZZPRSA-N -2 0 314.367 0.719 20 0 DCADRL O=C([O-])CC1(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC001608680000 1170735470 /nfs/dbraw/zinc/73/54/70/1170735470.db2.gz DRUIICMLYHBXBS-UHFFFAOYSA-N -2 0 305.352 0.416 20 0 DCADRL O=C([O-])C[C@@H]1CCCN(C(=O)CC[C@@H]2C[C@H](C(=O)[O-])CO2)C1 ZINC001608694658 1170739145 /nfs/dbraw/zinc/73/91/45/1170739145.db2.gz QIEFOXGFYSLDTP-SDDRHHMPSA-N -2 0 313.350 0.970 20 0 DCADRL O=C([O-])CCCO[N-]C(=O)CNC(=O)Cc1cccc(F)c1 ZINC001608716675 1170742503 /nfs/dbraw/zinc/74/25/03/1170742503.db2.gz ZVVGLQZGTSZWPW-UHFFFAOYSA-N -2 0 312.297 0.397 20 0 DCADRL O=C([O-])CCS(=O)(=O)[N-]C(=O)c1cc[nH]c1C1CCC1 ZINC001608732734 1170747020 /nfs/dbraw/zinc/74/70/20/1170747020.db2.gz IJFZMUHINSPMNC-UHFFFAOYSA-N -2 0 300.336 0.817 20 0 DCADRL O=C([O-])Cc1cccc(S(=O)(=O)N[C@@H](CCF)C(=O)[O-])c1 ZINC001608787580 1170753935 /nfs/dbraw/zinc/75/39/35/1170753935.db2.gz XXEBOARMWWGMPI-JTQLQIEISA-N -2 0 319.310 0.405 20 0 DCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)c2ccsc2)on1 ZINC001608837331 1170764221 /nfs/dbraw/zinc/76/42/21/1170764221.db2.gz MVEJYXSVXADEPZ-UHFFFAOYSA-N -2 0 302.289 0.553 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(CF)CCOCC2)on1 ZINC001608861167 1170766138 /nfs/dbraw/zinc/76/61/38/1170766138.db2.gz SYMNJTSHWNBGRP-UHFFFAOYSA-N -2 0 322.314 0.417 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cnn3ccccc23)on1 ZINC001608862023 1170766924 /nfs/dbraw/zinc/76/69/24/1170766924.db2.gz HUJXQEOKZYMEIX-UHFFFAOYSA-N -2 0 322.302 0.499 20 0 DCADRL O=C([O-])c1ncsc1S(=O)(=O)[N-]C(=O)C12CC(C1)C2 ZINC001609003539 1170784675 /nfs/dbraw/zinc/78/46/75/1170784675.db2.gz QPARDRMWFOWLTF-UHFFFAOYSA-N -2 0 302.333 0.446 20 0 DCADRL O=C([O-])c1sccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001609008253 1170784692 /nfs/dbraw/zinc/78/46/92/1170784692.db2.gz LICXXTYBDRQQCF-ZETCQYMHSA-N -2 0 307.335 0.979 20 0 DCADRL CC(=O)CCCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609570213 1171023879 /nfs/dbraw/zinc/02/38/79/1171023879.db2.gz PPLXRGBGCDNCGP-UHFFFAOYSA-N -2 0 320.348 0.406 20 0 DCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cccc(Cl)c1F ZINC001609642329 1171058288 /nfs/dbraw/zinc/05/82/88/1171058288.db2.gz NJUONGKTYYQCDL-LURJTMIESA-N -2 0 323.729 0.941 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)CSc1ccncc1 ZINC001609642654 1171059555 /nfs/dbraw/zinc/05/95/55/1171059555.db2.gz ZYXUNDGABCSNSH-SSDOTTSWSA-N -2 0 304.349 0.093 20 0 DCADRL CC(C)(CS(=O)(=O)[N-]C(=O)COc1ccsc1)C(=O)[O-] ZINC001609677367 1171065292 /nfs/dbraw/zinc/06/52/92/1171065292.db2.gz UMFBLRPPBIUYKV-UHFFFAOYSA-N -2 0 321.376 0.684 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C ZINC001609831759 1171099439 /nfs/dbraw/zinc/09/94/39/1171099439.db2.gz VXXFDCDUENJSBV-IWSPIJDZSA-N -2 0 319.379 0.547 20 0 DCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C ZINC001609831757 1171099779 /nfs/dbraw/zinc/09/97/79/1171099779.db2.gz VXXFDCDUENJSBV-HRDYMLBCSA-N -2 0 319.379 0.547 20 0 DCADRL CCC(=O)C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)[O-] ZINC001609884512 1171115208 /nfs/dbraw/zinc/11/52/08/1171115208.db2.gz YTUJWHSBKXAUPZ-SSDOTTSWSA-N -2 0 319.291 0.079 20 0 DCADRL CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001609951771 1171127972 /nfs/dbraw/zinc/12/79/72/1171127972.db2.gz ZYNZATFZGLEAGR-MNOVXSKESA-N -2 0 321.395 0.893 20 0 DCADRL COCC1(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC001610250799 1171207923 /nfs/dbraw/zinc/20/79/23/1171207923.db2.gz YFWGHNHPKKIHCV-UWVGGRQHSA-N -2 0 319.379 0.502 20 0 DCADRL Cc1cc(S(=O)(=O)NCCC(=O)[O-])cc(C(=O)[O-])c1C ZINC001610477855 1171242062 /nfs/dbraw/zinc/24/20/62/1171242062.db2.gz IWRRIAKLJBCCBT-UHFFFAOYSA-N -2 0 301.320 0.755 20 0 DCADRL Cc1ccncc1/C=C/C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001610536954 1171249041 /nfs/dbraw/zinc/24/90/41/1171249041.db2.gz RYQALPZYZRJKJE-SNAWJCMRSA-N -2 0 312.347 0.714 20 0 DCADRL Cc1nc(CC2CC2)oc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001610554166 1171252899 /nfs/dbraw/zinc/25/28/99/1171252899.db2.gz MUQBBTAVEMCOJP-ZETCQYMHSA-N -2 0 316.335 0.468 20 0 DCADRL Cc1ncsc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001610565309 1171255161 /nfs/dbraw/zinc/25/51/61/1171255161.db2.gz YTHIWXPBEHXPJQ-UHFFFAOYSA-N -2 0 306.365 0.622 20 0 DCADRL O=C([O-])c1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC001610709269 1171296373 /nfs/dbraw/zinc/29/63/73/1171296373.db2.gz ZCGBXFQDGHBWAA-JTQLQIEISA-N -2 0 320.301 0.647 20 0 DCADRL O=C([O-])CC1(CS(=O)(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC001610756540 1171310501 /nfs/dbraw/zinc/31/05/01/1171310501.db2.gz ZECQBXIXWGWJEU-UHFFFAOYSA-N -2 0 317.319 0.652 20 0 DCADRL O=C([O-])CN(Cc1ccc(F)c(F)c1)C(=O)c1n[nH]c(=O)[n-]1 ZINC001610780827 1171321169 /nfs/dbraw/zinc/32/11/69/1171321169.db2.gz FKBFPGAYEQRVMO-UHFFFAOYSA-N -2 0 312.232 0.516 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@]1(F)c1ccccc1 ZINC001610789258 1171325127 /nfs/dbraw/zinc/32/51/27/1171325127.db2.gz DMWMNKWLYGCOHN-JOYOIKCWSA-N -2 0 301.295 0.402 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC001610789447 1171326454 /nfs/dbraw/zinc/32/64/54/1171326454.db2.gz QZEJITNNRZFNEW-UHFFFAOYSA-N -2 0 323.229 0.152 20 0 DCADRL O=C([O-])c1nscc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001610873493 1171346244 /nfs/dbraw/zinc/34/62/44/1171346244.db2.gz UIQIWEZVNPJNIC-YFKPBYRVSA-N -2 0 306.321 0.079 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)cn1)[C@@H](O)C(=O)[O-] ZINC001225273434 748582019 /nfs/dbraw/zinc/58/20/19/748582019.db2.gz ARRMUDDJXLQGGT-IMTBSYHQSA-N -2 0 303.654 0.177 20 0 DCADRL O=c1occ2[nH]c(NCCOP(=O)([O-])[O-])c(Cl)cc1-2 ZINC001168590246 752662314 /nfs/dbraw/zinc/66/23/14/752662314.db2.gz XYHZPKQZSWEGAJ-UHFFFAOYSA-N -2 0 308.614 0.927 20 0 DCADRL CC1(c2cccc(NCCOP(=O)([O-])[O-])n2)OCCO1 ZINC001168592299 752665594 /nfs/dbraw/zinc/66/55/94/752665594.db2.gz PXIJPTBEZPQEEN-UHFFFAOYSA-N -2 0 304.239 0.822 20 0 DCADRL CS(=O)(=O)Cc1cccc(NCCOP(=O)([O-])[O-])c1 ZINC001168595819 752671669 /nfs/dbraw/zinc/67/16/69/752671669.db2.gz OAAOVHACFSLBIZ-UHFFFAOYSA-N -2 0 309.280 0.752 20 0 DCADRL Cc1cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2c[nH]nc21 ZINC001230906525 768906443 /nfs/dbraw/zinc/90/64/43/768906443.db2.gz GFPDYDOSHJMKNO-SKDRFNHKSA-N -2 0 322.273 0.313 20 0 DCADRL CCc1ccc(O)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001233580817 769400447 /nfs/dbraw/zinc/40/04/47/769400447.db2.gz MXBNAGSSDKJOPN-QPUJVOFHSA-N -2 0 312.274 0.396 20 0 DCADRL CN1CCc2c1cccc2C(=O)NCCOP(=O)([O-])[O-] ZINC001154157105 770096328 /nfs/dbraw/zinc/09/63/28/770096328.db2.gz RSHCBVNQMPQRPF-UHFFFAOYSA-N -2 0 300.251 0.518 20 0 DCADRL CN1C(=O)COc2cc(-c3ccc(P(=O)([O-])[O-])cc3)cnc21 ZINC001240871467 770261008 /nfs/dbraw/zinc/26/10/08/770261008.db2.gz HZQBUOLNIGREKE-UHFFFAOYSA-N -2 0 320.241 0.907 20 0 DCADRL NS(=O)(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242161191 770280241 /nfs/dbraw/zinc/28/02/41/770280241.db2.gz ZSHVQAXVWLASMX-UHFFFAOYSA-N -2 0 322.298 0.792 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])[C@H]1CCC(=O)c2ccccc21 ZINC001178928690 770894502 /nfs/dbraw/zinc/89/45/02/770894502.db2.gz IWCIECHLOHSNFF-NSHDSACASA-N -2 0 313.246 0.972 20 0 DCADRL Cc1nc2c(C)cccn2c1C(=O)NCCOP(=O)([O-])[O-] ZINC001151223403 771487212 /nfs/dbraw/zinc/48/72/12/771487212.db2.gz ABEDXGRPZZPJNI-UHFFFAOYSA-N -2 0 313.250 0.790 20 0 DCADRL C[S@](=O)c1ccccc1C(=O)NCCOP(=O)([O-])[O-] ZINC001187866843 772237424 /nfs/dbraw/zinc/23/74/24/772237424.db2.gz XMAMHOKEPFVOSD-IBGZPJMESA-N -2 0 307.264 0.263 20 0 DCADRL O=C(Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O)c1ccncc1[O-] ZINC001188637123 772338511 /nfs/dbraw/zinc/33/85/11/772338511.db2.gz RWLLQRXWBCPTTR-UHFFFAOYSA-N -2 0 319.298 0.472 20 0 DCADRL COCCCNC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189914139 772557460 /nfs/dbraw/zinc/55/74/60/772557460.db2.gz JITCQCYGSIDEOE-UHFFFAOYSA-N -2 0 317.319 0.398 20 0 DCADRL N=C(NC(=O)c1ccccc1OP(=O)([O-])[O-])c1ncc[nH]1 ZINC001189899917 772564167 /nfs/dbraw/zinc/56/41/67/772564167.db2.gz KPMFSIKTFSGXEF-UHFFFAOYSA-N -2 0 310.206 0.637 20 0 DCADRL O=C(OCc1nc2ccccc2[nH]1)[C@H](O)COP(=O)([O-])[O-] ZINC001205817596 773022852 /nfs/dbraw/zinc/02/28/52/773022852.db2.gz MEEFHMFGSUUKEA-SECBINFHSA-N -2 0 316.206 0.076 20 0 DCADRL O=C([O-])CCC(=O)CNS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198807249 773986143 /nfs/dbraw/zinc/98/61/43/773986143.db2.gz FDHRJSCLICYLRC-UHFFFAOYSA-N -2 0 315.303 0.097 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cncn1-c1cccnc1 ZINC001199436359 774107115 /nfs/dbraw/zinc/10/71/15/774107115.db2.gz YJRNTCCNOFKRAP-UHFFFAOYSA-N -2 0 312.222 0.106 20 0 DCADRL Cc1ccc(C)c(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001222908036 775438662 /nfs/dbraw/zinc/43/86/62/775438662.db2.gz HJGGABBYNDLGKV-DGCLKSJQSA-N -2 0 310.302 0.883 20 0 DCADRL C=Cc1ccc(COC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001223150389 775468445 /nfs/dbraw/zinc/46/84/45/775468445.db2.gz CLMTXFLNFWYDHS-LLVKDONJSA-N -2 0 302.219 0.843 20 0 DCADRL CCc1ccccc1COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001224218174 775546830 /nfs/dbraw/zinc/54/68/30/775546830.db2.gz KPHJMRZQDPKEHS-DGCLKSJQSA-N -2 0 310.302 0.829 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2ccncc2c1)[C@@H](O)C(=O)[O-] ZINC001225452997 775680280 /nfs/dbraw/zinc/68/02/80/775680280.db2.gz IFKFWSYFUVVAQU-WCQYABFASA-N -2 0 319.269 0.677 20 0 DCADRL 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ZINC001601829085 1168907698 /nfs/dbraw/zinc/90/76/98/1168907698.db2.gz HJVIDEAVTFFSIO-JTQLQIEISA-N -2 0 319.379 0.758 20 0 DCADRL O=C([O-])/C=C\CNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001601870552 1168920185 /nfs/dbraw/zinc/92/01/85/1168920185.db2.gz RVZXCIYDQDRQMU-UPHRSURJSA-N -2 0 303.267 0.443 20 0 DCADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]N2CCCC2=O)cc1 ZINC001601886308 1168924658 /nfs/dbraw/zinc/92/46/58/1168924658.db2.gz MTIHJCDAXHJUSQ-VMPITWQZSA-N -2 0 310.331 0.600 20 0 DCADRL O=C([O-])C[C@H](NC(=O)C(=O)Nc1cccnc1C(=O)[O-])C1CC1 ZINC001601897231 1168926747 /nfs/dbraw/zinc/92/67/47/1168926747.db2.gz UWTSAKVGTNFDJB-VIFPVBQESA-N -2 0 321.289 0.088 20 0 DCADRL O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccccc2[O-])CCO1 ZINC001601962472 1168949662 /nfs/dbraw/zinc/94/96/62/1168949662.db2.gz GJYZHHMUHFMAMG-VIFPVBQESA-N -2 0 301.320 0.256 20 0 DCADRL O=C([O-])CCCO[N-]C(=O)CN1Cc2ccccc2OC1=O ZINC001601996002 1168954371 /nfs/dbraw/zinc/95/43/71/1168954371.db2.gz YCVHNIMQYWKGNS-UHFFFAOYSA-N -2 0 308.290 0.914 20 0 DCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC001601994699 1168954680 /nfs/dbraw/zinc/95/46/80/1168954680.db2.gz JOWFWKBFIYUWRB-UHFFFAOYSA-N -2 0 306.278 0.414 20 0 DCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC001601998721 1168955704 /nfs/dbraw/zinc/95/57/04/1168955704.db2.gz BLAXBRYXLFCGLZ-PBINXNQUSA-N -2 0 321.420 0.971 20 0 DCADRL O=C([O-])CCN(CC(=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC001602004841 1168958860 /nfs/dbraw/zinc/95/88/60/1168958860.db2.gz NVEDTBXZOLQOBM-LBPRGKRZSA-N -2 0 306.318 0.653 20 0 DCADRL O=C([O-])CNS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001602075298 1168988373 /nfs/dbraw/zinc/98/83/73/1168988373.db2.gz UZGNPVPKHRSLLK-UHFFFAOYSA-N -2 0 315.328 0.962 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)Cc1ccc(OC(F)F)cc1 ZINC001602097737 1168993958 /nfs/dbraw/zinc/99/39/58/1168993958.db2.gz VJZQNLLVIGCKBQ-UHFFFAOYSA-N -2 0 323.273 0.361 20 0 DCADRL O=C([O-])Cc1nc([N-]C(=O)c2ocnc2C(F)(F)F)n[nH]1 ZINC001602154150 1169004428 /nfs/dbraw/zinc/00/44/28/1169004428.db2.gz GKCXRHBWQVTUJE-UHFFFAOYSA-N -2 0 305.172 0.691 20 0 DCADRL O=C([O-])Cn1cnc([N-]S(=O)(=O)c2cncc(Cl)c2)n1 ZINC001602166514 1169012735 /nfs/dbraw/zinc/01/27/35/1169012735.db2.gz SUNQQEOXKSDACG-UHFFFAOYSA-N -2 0 317.714 0.212 20 0 DCADRL O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cccc(-c4nc(=O)o[n-]4)c3)C[C@@H]21 ZINC001602207471 1169028982 /nfs/dbraw/zinc/02/89/82/1169028982.db2.gz SYGQXZWMKFWXTA-URLYPYJESA-N -2 0 315.285 0.433 20 0 DCADRL O=C([O-])c1ccc(CS(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC001602354052 1169064736 /nfs/dbraw/zinc/06/47/36/1169064736.db2.gz NZNBBOPQCWAZQV-NSHDSACASA-N -2 0 313.331 0.621 20 0 DCADRL O=C([O-])c1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC001602432269 1169076700 /nfs/dbraw/zinc/07/67/00/1169076700.db2.gz DPWKLXPNKGQPCT-VHSXEESVSA-N -2 0 304.302 0.963 20 0 DCADRL O=C([O-])c1ccnc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1 ZINC001602478164 1169086282 /nfs/dbraw/zinc/08/62/82/1169086282.db2.gz QFAFJFXBWYCJGN-VIFPVBQESA-N -2 0 318.289 0.888 20 0 DCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H](C1CC1)C(F)(F)F ZINC001602507819 1169101162 /nfs/dbraw/zinc/10/11/62/1169101162.db2.gz KZUAUSAIOUANBN-LURJTMIESA-N -2 0 313.257 0.727 20 0 DCADRL O=C([O-])c1cnc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)cn1 ZINC001602508857 1169102860 /nfs/dbraw/zinc/10/28/60/1169102860.db2.gz VTUKMQPTOVWUFW-SSDOTTSWSA-N -2 0 318.293 0.018 20 0 DCADRL O=C([O-])c1cnoc1Cn1[n-]c(=O)c(Cl)c(Cl)c1=O ZINC001602547039 1169113955 /nfs/dbraw/zinc/11/39/55/1169113955.db2.gz MSWWORBWIUSATQ-UHFFFAOYSA-N -2 0 306.061 0.990 20 0 DCADRL O=C([O-])c1c[nH]ccc1=NS(=O)(=O)c1cccc2nonc21 ZINC001602544652 1169113996 /nfs/dbraw/zinc/11/39/96/1169113996.db2.gz YRMWSBNBUPPNMQ-UHFFFAOYSA-N -2 0 320.286 0.539 20 0 DCADRL O=C([O-])c1coc(S(=O)(=O)NCc2nnc(C3CC3)[nH]2)c1 ZINC001602559454 1169118246 /nfs/dbraw/zinc/11/82/46/1169118246.db2.gz UEXZREDPPULDFZ-UHFFFAOYSA-N -2 0 312.307 0.452 20 0 DCADRL CC(=O)NCCN(C(=O)c1cc(C(=O)[O-])co1)[C@H](C)C(=O)[O-] ZINC001603047967 1169239969 /nfs/dbraw/zinc/23/99/69/1169239969.db2.gz XIZGPSVJPJKPQG-SSDOTTSWSA-N -2 0 312.278 0.029 20 0 DCADRL C[C@@H](C(=O)[O-])C1CN(S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001603190725 1169269361 /nfs/dbraw/zinc/26/93/61/1169269361.db2.gz NEIRQGAETZGOSS-RXMQYKEDSA-N -2 0 320.348 0.183 20 0 DCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001603190834 1169269443 /nfs/dbraw/zinc/26/94/43/1169269443.db2.gz XTZCZWZTHRBUQM-MAUMQABQSA-N -3 0 321.351 0.043 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cc2[nH]ccc2s1 ZINC001603204649 1169273784 /nfs/dbraw/zinc/27/37/84/1169273784.db2.gz QWUJXBLENGBEGT-RXMQYKEDSA-N -2 0 302.333 0.762 20 0 DCADRL CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)[O-] ZINC001603525629 1169319591 /nfs/dbraw/zinc/31/95/91/1169319591.db2.gz LGRAQCFGIABNET-QMMMGPOBSA-N -2 0 305.308 0.755 20 0 DCADRL C[C@H](CCCNS(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001604133524 1169503376 /nfs/dbraw/zinc/50/33/76/1169503376.db2.gz ZAJAUOBUPKBLEE-ZCFIWIBFSA-N -2 0 322.364 0.621 20 0 DCADRL C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001604202856 1169523628 /nfs/dbraw/zinc/52/36/28/1169523628.db2.gz YBYXNTXCWPLGSY-ZETCQYMHSA-N -2 0 304.324 0.466 20 0 DCADRL C[C@@](O)(CNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-])C(=O)[O-] ZINC001604376896 1169574965 /nfs/dbraw/zinc/57/49/65/1169574965.db2.gz UXCMXJXEXSVRSX-CQSZACIVSA-N -2 0 323.280 0.282 20 0 DCADRL C[C@@H](Oc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001604431170 1169591471 /nfs/dbraw/zinc/59/14/71/1169591471.db2.gz LGIPAEBWCQNFSW-MRVPVSSYSA-N -2 0 319.310 0.514 20 0 DCADRL C[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)[C@@H](C(=O)[O-])C1 ZINC001604742899 1169667886 /nfs/dbraw/zinc/66/78/86/1169667886.db2.gz FSAXWZBRXPHHBG-DTWKUNHWSA-N -2 0 312.326 0.181 20 0 DCADRL CCC(=O)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001604853591 1169710288 /nfs/dbraw/zinc/71/02/88/1169710288.db2.gz VBGIVWKSQRXADD-MRVPVSSYSA-N -2 0 319.291 0.079 20 0 DCADRL CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001605236910 1169879088 /nfs/dbraw/zinc/87/90/88/1169879088.db2.gz RCVWBAJTBGKWKM-SNVBAGLBSA-N -2 0 320.411 0.970 20 0 DCADRL CCOCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001605618215 1169974238 /nfs/dbraw/zinc/97/42/38/1169974238.db2.gz FMGBUKVSCBKOTO-UHFFFAOYSA-N -2 0 301.320 0.535 20 0 DCADRL CC[C@H](NS(=O)(=O)c1sc(C(=O)[O-])cc1OC)C(=O)[O-] ZINC001605762917 1169998432 /nfs/dbraw/zinc/99/84/32/1169998432.db2.gz KZSNHKNOUHVXTR-YFKPBYRVSA-N -2 0 323.348 0.596 20 0 DCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CC(=O)[O-] ZINC001605884845 1170021216 /nfs/dbraw/zinc/02/12/16/1170021216.db2.gz BXUYGJXYWGQFJE-ZCFIWIBFSA-N -2 0 305.308 0.682 20 0 DCADRL CN1C[C@@H](C(=O)[N-]OCCCC(=O)[O-])c2ccccc2C1=O ZINC001606197880 1170108993 /nfs/dbraw/zinc/10/89/93/1170108993.db2.gz NJTBQEWUORMXBP-GFCCVEGCSA-N -2 0 306.318 0.768 20 0 DCADRL COC1(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CCCC1 ZINC001606690581 1170264001 /nfs/dbraw/zinc/26/40/01/1170264001.db2.gz XXCFTJDTADVIQD-RKDXNWHRSA-N -2 0 307.368 0.501 20 0 DCADRL CO[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])C1 ZINC001606734445 1170275544 /nfs/dbraw/zinc/27/55/44/1170275544.db2.gz GYPZNJHKFVFNKX-VPOLOUISSA-N -2 0 321.395 0.747 20 0 DCADRL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC(C)(C)C ZINC001607462092 1170460918 /nfs/dbraw/zinc/46/09/18/1170460918.db2.gz OIFAOLNLGUIBGO-LURJTMIESA-N -2 0 320.323 0.381 20 0 DCADRL Cc1c(C(=O)[O-])cc(CN[C@H](C(=O)[O-])c2cnn(C)c2C)n1C ZINC001607524986 1170472999 /nfs/dbraw/zinc/47/29/99/1170472999.db2.gz OVTAOQMUSJXGSU-ZDUSSCGKSA-N -2 0 320.349 0.989 20 0 DCADRL Cc1cc(S(=O)(=O)[N-]C(=O)CCSCC(=O)[O-])c(C)o1 ZINC001607705769 1170498907 /nfs/dbraw/zinc/49/89/07/1170498907.db2.gz SQWXSWFTIDTVPV-UHFFFAOYSA-N -2 0 321.376 0.909 20 0 DCADRL Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)[N-]OC[C@@H]1CCOC1 ZINC001607737220 1170501696 /nfs/dbraw/zinc/50/16/96/1170501696.db2.gz HRJHIHLOONBUBF-SNVBAGLBSA-N -2 0 322.317 0.716 20 0 DCADRL Cc1ccc(C(N)=O)c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001607757483 1170503857 /nfs/dbraw/zinc/50/38/57/1170503857.db2.gz WPRUPVZJZOABKQ-UHFFFAOYSA-N -2 0 314.363 0.946 20 0 DCADRL Cc1ccc(OCCCC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001607813038 1170509371 /nfs/dbraw/zinc/50/93/71/1170509371.db2.gz HIKMJHHGMWNCAK-UHFFFAOYSA-N -2 0 315.347 0.685 20 0 DCADRL Cc1nc([C@@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccn2)no1 ZINC001607949051 1170531260 /nfs/dbraw/zinc/53/12/60/1170531260.db2.gz NEZWGGTZEWZAIL-ZCFIWIBFSA-N -2 0 312.307 0.511 20 0 DCADRL Cc1ncc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])cc1C(=O)[O-] ZINC001607987881 1170540301 /nfs/dbraw/zinc/54/03/01/1170540301.db2.gz ZUIXDNMEIQTBHJ-LURJTMIESA-N -2 0 302.308 0.230 20 0 DCADRL Cc1ncsc1[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)[O-] ZINC001607994711 1170542651 /nfs/dbraw/zinc/54/26/51/1170542651.db2.gz WWCBEYTVTRHYIH-FSPLSTOPSA-N -2 0 322.364 0.217 20 0 DCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCO1 ZINC001608040101 1170555969 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O=C([O-])CN1CC[C@@H](OC(=O)c2c(F)cc([O-])cc2F)C1=O ZINC001595081706 951686898 /nfs/dbraw/zinc/68/68/98/951686898.db2.gz MFEAONMSPAQWRO-SECBINFHSA-N -2 0 315.228 0.513 20 0 DCADRL O=C([O-])COc1ccc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001595118466 951954860 /nfs/dbraw/zinc/95/48/60/951954860.db2.gz KGTYJGNMOWQMAY-SNVBAGLBSA-N -2 0 317.305 0.293 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCC23CC3)on1 ZINC001595214591 952369556 /nfs/dbraw/zinc/36/95/56/952369556.db2.gz PVMXRJOQXOHMQL-SSDOTTSWSA-N -2 0 314.319 0.758 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCC[C@@H](F)C2)on1 ZINC001595214654 952369639 /nfs/dbraw/zinc/36/96/39/952369639.db2.gz SLWHDBWBGPGJQH-NKWVEPMBSA-N -2 0 320.298 0.706 20 0 DCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC[C@H]2CCCO2)C1 ZINC001594785483 953664264 /nfs/dbraw/zinc/66/42/64/953664264.db2.gz NFJISNRFQXXRPT-HBNTYKKESA-N -2 0 319.379 0.502 20 0 DCADRL C[C@H]1CC/C(=C/C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001589300416 953689812 /nfs/dbraw/zinc/68/98/12/953689812.db2.gz VOQSAKCDYJTCQG-BJMRUTCWSA-N -2 0 314.319 0.924 20 0 DCADRL O=C([O-])[C@@]1(C(=O)N2CCC[C@@H](Cc3nnn[n-]3)C2)CC=CCC1 ZINC001594850592 954181148 /nfs/dbraw/zinc/18/11/48/954181148.db2.gz KZXSGLGPNVOLOM-NHYWBVRUSA-N -2 0 319.365 0.792 20 0 DCADRL O=C([O-])C1(C(=O)[N-]OC2CCCC2)CCS(=O)(=O)CC1 ZINC001594866710 954317445 /nfs/dbraw/zinc/31/74/45/954317445.db2.gz APSMEYJRYDCTQP-UHFFFAOYSA-N -2 0 305.352 0.256 20 0 DCADRL N#Cc1cncc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1 ZINC000386378099 972049372 /nfs/dbraw/zinc/04/93/72/972049372.db2.gz HLVRDQYZKYCTHA-UHFFFAOYSA-N -2 0 304.287 0.847 20 0 DCADRL CO[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC001593911440 955967839 /nfs/dbraw/zinc/96/78/39/955967839.db2.gz LLXSDNICQHQXCV-VIFPVBQESA-N -2 0 323.273 0.178 20 0 DCADRL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1)C1CC1 ZINC001593941493 956277514 /nfs/dbraw/zinc/27/75/14/956277514.db2.gz LKROMQLJPUMUAH-JTQLQIEISA-N -2 0 300.336 0.947 20 0 DCADRL CC1(C)C[C@@]1(C(=O)[O-])C(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001589210763 956683461 /nfs/dbraw/zinc/68/34/61/956683461.db2.gz AKOGUWBEDSOXSU-OTYXRUKQSA-N -2 0 307.354 0.482 20 0 DCADRL O=C([O-])c1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)[nH]n1 ZINC001594726665 957011460 /nfs/dbraw/zinc/01/14/60/957011460.db2.gz LFCBWFMPJYQILZ-JTQLQIEISA-N -2 0 313.277 0.140 20 0 DCADRL COCCS(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001594023519 957686072 /nfs/dbraw/zinc/68/60/72/957686072.db2.gz CPMLLIFRWMMMIP-UHFFFAOYSA-N -2 0 301.320 0.020 20 0 DCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)NC1CCC(F)(F)CC1 ZINC000390531163 972292220 /nfs/dbraw/zinc/29/22/20/972292220.db2.gz XGAGVXVMNVALLT-UHFFFAOYSA-N -2 0 309.294 0.964 20 0 DCADRL COc1n[nH]c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000129299540 958697391 /nfs/dbraw/zinc/69/73/91/958697391.db2.gz IJLYVUJCSPEPLG-UHFFFAOYSA-N -2 0 304.309 0.374 20 0 DCADRL C[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC001588576814 959237374 /nfs/dbraw/zinc/23/73/74/959237374.db2.gz ZTBNBEIRDMSBCZ-MRVPVSSYSA-N -2 0 308.315 0.760 20 0 DCADRL C[C@@H]1C(=O)N([N-]C(=O)c2coc(C=CC(=O)[O-])c2)C(=O)N1C ZINC001573690146 959771732 /nfs/dbraw/zinc/77/17/32/959771732.db2.gz ITMQFTGRESSZLK-KGGZQZJCSA-N -2 0 307.262 0.305 20 0 DCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ncccc2Cl)cn1 ZINC000231768694 960205177 /nfs/dbraw/zinc/20/51/77/960205177.db2.gz JVGGMIJYUJJLAD-UHFFFAOYSA-N -2 0 316.726 0.817 20 0 DCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC001588808635 961502424 /nfs/dbraw/zinc/50/24/24/961502424.db2.gz VTMCRVUGKGPCND-BDAKNGLRSA-N -2 0 307.368 0.357 20 0 DCADRL CC(C)Oc1cncc(S(=O)(=O)[N-]C(=O)[C@H](C)C(=O)[O-])c1 ZINC001588941117 962533639 /nfs/dbraw/zinc/53/36/39/962533639.db2.gz JXSAAWAAYVKRSS-QMMMGPOBSA-N -2 0 316.335 0.394 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@H]2O)on1 ZINC000316104531 963976937 /nfs/dbraw/zinc/97/69/37/963976937.db2.gz NBDGJQWVWBHELL-PWSUYJOCSA-N -2 0 324.314 0.309 20 0 DCADRL O=C([O-])c1c([N-]S(=O)(=O)c2ccccc2)nc2n1CCOC2 ZINC001606459879 973913860 /nfs/dbraw/zinc/91/38/60/973913860.db2.gz MMAUOPUHDRCPQR-UHFFFAOYSA-N -2 0 323.330 0.912 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)C2(CCF)CC2)on1 ZINC001606465694 973932372 /nfs/dbraw/zinc/93/23/72/973932372.db2.gz GUFPQXAUASOMDI-UHFFFAOYSA-N -2 0 306.271 0.318 20 0 DCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1c[nH]nc1C(=O)[O-] ZINC001591861918 976158308 /nfs/dbraw/zinc/15/83/08/976158308.db2.gz HZNUFXRFHITWLM-LURJTMIESA-N -2 0 322.243 0.750 20 0 DCADRL C[C@H](CCCNS(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)[O-] ZINC001592488124 978279790 /nfs/dbraw/zinc/27/97/90/978279790.db2.gz ZIDLKWCZFSHOQQ-SSDOTTSWSA-N -2 0 305.308 0.757 20 0 DCADRL CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1C ZINC001595024662 979129961 /nfs/dbraw/zinc/12/99/61/979129961.db2.gz YYRDSBMKIYSXCR-IONNQARKSA-N -2 0 317.367 0.695 20 0 DCADRL CCC(CC)(NC(=O)c1cnc(C(=O)[O-])cn1)c1nnn[n-]1 ZINC001595097655 979394241 /nfs/dbraw/zinc/39/42/41/979394241.db2.gz CZMHYWDGZOACIG-UHFFFAOYSA-N -2 0 305.298 0.133 20 0 DCADRL C[C@H](CS(=O)(=O)N[C@@H](C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC001592799474 979452004 /nfs/dbraw/zinc/45/20/04/979452004.db2.gz CXHARMUOVXZWEJ-PSASIEDQSA-N -2 0 301.320 0.452 20 0 DCADRL C[C@@H](CS(=O)(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])C(=O)[O-] ZINC001592808644 979483192 /nfs/dbraw/zinc/48/31/92/979483192.db2.gz SECKXEMBGWGIPZ-IUCAKERBSA-N -2 0 309.384 0.906 20 0 DCADRL C[C@H](NC(=O)c1cc(=O)[nH][n-]1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001592998991 980210610 /nfs/dbraw/zinc/21/06/10/980210610.db2.gz SNENQZHRMGZHHG-GXSJLCMTSA-N -2 0 303.318 0.311 20 0 DCADRL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2cccc(C(=O)[O-])n2)C1=O ZINC001595371981 980856803 /nfs/dbraw/zinc/85/68/03/980856803.db2.gz SVJKFYSNBXTURF-CYBMUJFWSA-N -2 0 306.278 0.145 20 0 DCADRL CCC[C@@](C)(NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001595558790 981438225 /nfs/dbraw/zinc/43/82/25/981438225.db2.gz CACWRFLNANRFGI-GFCCVEGCSA-N -2 0 318.351 0.645 20 0 DCADRL CCC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC ZINC001595559450 981440999 /nfs/dbraw/zinc/44/09/99/981440999.db2.gz OTTUDAABLGIVSL-LLVKDONJSA-N -2 0 320.323 0.383 20 0 DCADRL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001594770870 981742893 /nfs/dbraw/zinc/74/28/93/981742893.db2.gz WWEMAJSTGPWWQG-VIFPVBQESA-N -2 0 307.368 0.756 20 0 DCADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001594770893 981743685 /nfs/dbraw/zinc/74/36/85/981743685.db2.gz XPFIMENIKZRYHG-SECBINFHSA-N -2 0 302.308 0.264 20 0 DCADRL CC[C@@](C)(OC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001594862413 982155104 /nfs/dbraw/zinc/15/51/04/982155104.db2.gz WULLZGLIJJZGNB-GFCCVEGCSA-N -2 0 319.335 0.906 20 0 DCADRL CC[C@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594873226 982192674 /nfs/dbraw/zinc/19/26/74/982192674.db2.gz KEPSPGOOABSSDQ-CPCISQLKSA-N -2 0 306.340 0.448 20 0 DCADRL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001594994475 982877027 /nfs/dbraw/zinc/87/70/27/982877027.db2.gz DYKFYWBMYAXDKG-LURJTMIESA-N -2 0 322.364 0.461 20 0 DCADRL CCCSC[C@H](NS(=O)(=O)C[C@@H](C)C(=O)[O-])C(=O)[O-] ZINC001595986862 983233483 /nfs/dbraw/zinc/23/34/83/983233483.db2.gz BVJTYSMNBJIGII-SFYZADRCSA-N -2 0 313.397 0.223 20 0 DCADRL CCOC(=O)CNS(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001596623931 984601054 /nfs/dbraw/zinc/60/10/54/984601054.db2.gz CJZMHUVZTDRMQO-UHFFFAOYSA-N -2 0 307.368 0.504 20 0 DCADRL CCO[C@@H](C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])C1CCCC1 ZINC001596762711 985163113 /nfs/dbraw/zinc/16/31/13/985163113.db2.gz YRKXJHHQADCLOJ-WCBMZHEXSA-N -2 0 307.368 0.501 20 0 DCADRL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])ccc1C ZINC001589257650 985904521 /nfs/dbraw/zinc/90/45/21/985904521.db2.gz LVXAJMZWWFXSDP-UHFFFAOYSA-N -2 0 313.331 0.732 20 0 DCADRL CC(=O)c1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cc1 ZINC001589283856 986015947 /nfs/dbraw/zinc/01/59/47/986015947.db2.gz SMEALOXQUDWUSA-SECBINFHSA-N -2 0 313.331 0.351 20 0 DCADRL C[C@@H](C(=O)N1CCCCCC1)N(CCC(=O)[O-])CC(=O)[O-] ZINC001589358826 986350894 /nfs/dbraw/zinc/35/08/94/986350894.db2.gz HRPKCLUGLHJQCH-NSHDSACASA-N -2 0 300.355 0.639 20 0 DCADRL C[C@H](C(=O)[O-])[C@@H](C)S(=O)(=O)[N-]C(=O)CCc1ccoc1 ZINC001589453178 986857138 /nfs/dbraw/zinc/85/71/38/986857138.db2.gz OOBRDYMQHWPDCT-DTWKUNHWSA-N -2 0 303.336 0.767 20 0 DCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COc1cccc(Cl)c1 ZINC001589490371 987054346 /nfs/dbraw/zinc/05/43/46/987054346.db2.gz AQPMFOGZXSPBSU-ZETCQYMHSA-N -2 0 321.738 0.638 20 0 DCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001589490635 987055630 /nfs/dbraw/zinc/05/56/30/987055630.db2.gz CMOFAVGDMWTISF-BKDNQFJXSA-N -2 0 315.322 0.848 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1coc2c1C(=O)CCC2 ZINC001589491278 987057900 /nfs/dbraw/zinc/05/79/00/987057900.db2.gz KAEQUHSLZUTWQE-ZCFIWIBFSA-N -2 0 315.303 0.331 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(C)(C)C ZINC001589492796 987064796 /nfs/dbraw/zinc/06/47/96/987064796.db2.gz YQKXVNZIOHOPHR-SSDOTTSWSA-N -2 0 317.367 0.250 20 0 DCADRL CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])ccc1F)C(=O)[O-] ZINC001597285110 987356806 /nfs/dbraw/zinc/35/68/06/987356806.db2.gz AKXQRJBZWZUGOQ-MRVPVSSYSA-N -2 0 312.253 0.442 20 0 DCADRL CC[C@@H](NS(=O)(=O)c1cnc(C)c(C(=O)[O-])c1)C(=O)[O-] ZINC001597291982 987385841 /nfs/dbraw/zinc/38/58/41/987385841.db2.gz LRJGATRHEAEKBX-SECBINFHSA-N -2 0 302.308 0.230 20 0 DCADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)C[C@H](C)C(=O)[O-] ZINC001597772867 989242640 /nfs/dbraw/zinc/24/26/40/989242640.db2.gz HGUXPYJSZYFZHL-ZETCQYMHSA-N -2 0 319.335 0.881 20 0 DCADRL CCn1c(-c2cc(=O)n(C)[n-]2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001597820619 989461276 /nfs/dbraw/zinc/46/12/76/989461276.db2.gz PTVZWDKXCOBHFQ-QMMMGPOBSA-N -2 0 306.326 0.315 20 0 DCADRL CCn1cc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cn1 ZINC001597884933 989723171 /nfs/dbraw/zinc/72/31/71/989723171.db2.gz YMADTQWQOJLEAR-IUCAKERBSA-N -2 0 317.367 0.001 20 0 DCADRL CC(C)(CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001590771236 990573854 /nfs/dbraw/zinc/57/38/54/990573854.db2.gz SPKYVXCQWQHVPR-UHFFFAOYSA-N -2 0 319.310 0.913 20 0 DCADRL CN(C)c1cccc(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001598335384 991387292 /nfs/dbraw/zinc/38/72/92/991387292.db2.gz HVPMLHFXQXOLCF-UHFFFAOYSA-N -2 0 300.336 0.287 20 0 DCADRL CC(C)C[C@H](NS(=O)(=O)c1scnc1C(=O)[O-])C(=O)[O-] ZINC001591184616 991988836 /nfs/dbraw/zinc/98/88/36/991988836.db2.gz WBFUSWKCFDKBOS-LURJTMIESA-N -2 0 322.364 0.619 20 0 DCADRL CN1C[C@H](C(=O)[O-])N(C(=O)c2c([O-])cc(F)cc2F)CC1=O ZINC001598561461 993091898 /nfs/dbraw/zinc/09/18/98/993091898.db2.gz CDFIIQVRVYFVNF-MRVPVSSYSA-N -2 0 314.244 0.038 20 0 DCADRL COc1ccc2nc(-c3ncn(CC(=O)[O-])n3)[n-]c(=O)c2c1 ZINC001599635200 994277257 /nfs/dbraw/zinc/27/72/57/994277257.db2.gz LCPXHBHODJUIGP-UHFFFAOYSA-N -2 0 301.262 0.687 20 0 DCADRL COc1cccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])n1 ZINC001599642581 994379851 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O=C([O-])C[C@@H](C(=O)Oc1cc(F)cnc1Cl)[C@@H](O)C(=O)[O-] ZINC001226113717 775766433 /nfs/dbraw/zinc/76/64/33/775766433.db2.gz NCCFMUOPYOFGGJ-SVGQVSJJSA-N -2 0 321.644 0.316 20 0 DCADRL CCc1nc(C)ccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001226410919 775812908 /nfs/dbraw/zinc/81/29/08/775812908.db2.gz XYLDAKNRAIKKIL-PRHODGIISA-N -2 0 311.290 0.394 20 0 DCADRL O=C(Oc1nc2ccc(F)cc2o1)[C@H](O)COP(=O)([O-])[O-] ZINC001226453575 775819159 /nfs/dbraw/zinc/81/91/59/775819159.db2.gz JVHXXALYTQSFDG-SSDOTTSWSA-N -2 0 321.153 0.343 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2cnccc2c1)[C@@H](O)C(=O)[O-] ZINC001226576269 775840024 /nfs/dbraw/zinc/84/00/24/775840024.db2.gz PGRKBBWDAXJPIC-WCQYABFASA-N -2 0 319.269 0.677 20 0 DCADRL O=C(Oc1ccc2ncsc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001226643066 775853720 /nfs/dbraw/zinc/85/37/20/775853720.db2.gz XIMZVFHHBFBOLD-MRVPVSSYSA-N -2 0 319.231 0.672 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cncc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001226745208 775872368 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DCADRL O=C([O-])[C@H]1CN(S(=O)(=O)c2ccco2)CC[C@@H]1C(=O)[O-] ZINC000277354993 304198522 /nfs/dbraw/zinc/19/85/22/304198522.db2.gz XSNMERKAXFYTIT-YUMQZZPRSA-N -2 0 303.292 0.076 20 0 DCADRL CCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-])cc1 ZINC000110969590 194375308 /nfs/dbraw/zinc/37/53/08/194375308.db2.gz RZAIQDQTONQJLJ-UHFFFAOYSA-N -2 0 301.320 0.409 20 0 DCADRL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccs2)C[C@@H]1C(=O)[O-] ZINC000225669369 395862498 /nfs/dbraw/zinc/86/24/98/395862498.db2.gz ADZOCZUMMIHVCI-SFYZADRCSA-N -2 0 319.360 0.544 20 0 DCADRL CCn1cnnc1CNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000226374242 395865806 /nfs/dbraw/zinc/86/58/06/395865806.db2.gz QZWGYRKOWKJIFN-UHFFFAOYSA-N -2 0 316.364 0.536 20 0 DCADRL CN(CC(=O)[O-])C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000262814558 396184314 /nfs/dbraw/zinc/18/43/14/396184314.db2.gz OSQOJUGYVPIVQT-LLVKDONJSA-N -2 0 305.290 0.249 20 0 DCADRL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000282052559 396259190 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20 0 DCADRL CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001590956679 991029794 /nfs/dbraw/zinc/02/97/94/991029794.db2.gz KNACTQZWIRDFDI-UWVGGRQHSA-N -2 0 321.395 0.906 20 0 DCADRL CC(C)[C@@H](OC(=O)c1cn[nH]n1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001591046862 991436376 /nfs/dbraw/zinc/43/63/76/991436376.db2.gz GACNPDPBCRWLJS-LLVKDONJSA-N -2 0 324.337 0.309 20 0 DCADRL COc1ccnc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC001599722825 991569481 /nfs/dbraw/zinc/56/94/81/991569481.db2.gz UQJHOEIVDMIEIK-UHFFFAOYSA-N -2 0 311.319 0.928 20 0 DCADRL COc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)nc1 ZINC001599725554 991616825 /nfs/dbraw/zinc/61/68/25/991616825.db2.gz KKJMIQLKVPNAIP-UHFFFAOYSA-N -2 0 313.291 0.886 20 0 DCADRL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598470181 992013828 /nfs/dbraw/zinc/01/38/28/992013828.db2.gz ONHUDODELFDMBM-UHFFFAOYSA-N -2 0 317.319 0.245 20 0 DCADRL CC(C)C[C@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)[O-] ZINC001591471876 992586602 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ZINC001225653705 775703694 /nfs/dbraw/zinc/70/36/94/775703694.db2.gz LEPGLRLCRBYCKH-SKDRFNHKSA-N -2 0 307.258 0.610 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2ncccc21)[C@@H](O)C(=O)[O-] ZINC001226658784 775857181 /nfs/dbraw/zinc/85/71/81/775857181.db2.gz JVNITHMHBTZFPQ-NOZJJQNGSA-N -2 0 319.269 0.677 20 0 DCADRL Cc1[nH]nc2c1cccc2OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001227078159 775924800 /nfs/dbraw/zinc/92/48/00/775924800.db2.gz ASDWQTWFPOZANP-PELKAZGASA-N -2 0 322.273 0.313 20 0 DCADRL Cc1ccc2c(c1)onc2OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228082516 776045951 /nfs/dbraw/zinc/04/59/51/776045951.db2.gz LUMKNABMNHZFOM-GZMMTYOYSA-N -2 0 323.257 0.578 20 0 DCADRL Cc1cc(Cl)ncc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228535687 776094118 /nfs/dbraw/zinc/09/41/18/776094118.db2.gz DSQYHIMKVCEDAA-ZCFIWIBFSA-N -2 0 311.614 0.419 20 0 DCADRL Cc1cc(F)c(F)cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230444177 776309053 /nfs/dbraw/zinc/30/90/53/776309053.db2.gz QZYVUJDMOHOSOJ-KBUNVGBDSA-N -2 0 318.228 0.715 20 0 DCADRL Cc1oc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1C(=O)[O-] ZINC001600856762 1168487495 /nfs/dbraw/zinc/48/74/95/1168487495.db2.gz FDUJAGUYCHIHAS-HTRCEHHLSA-N -2 0 317.319 0.770 20 0 DCADRL O=C([O-])c1ncsc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001602583459 1169126489 /nfs/dbraw/zinc/12/64/89/1169126489.db2.gz MTAHYWZACQLRSY-YFKPBYRVSA-N -2 0 306.321 0.079 20 0 DCADRL CC(C)CN(Cc1nnn[n-]1)C(=O)c1csc(C(=O)[O-])n1 ZINC001603814659 1169402524 /nfs/dbraw/zinc/40/25/24/1169402524.db2.gz MRNLLOZGJRSCTJ-UHFFFAOYSA-N -2 0 310.339 0.653 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)Nc1nccc(Br)c1[O-] ZINC001604440736 973241091 /nfs/dbraw/zinc/24/10/91/973241091.db2.gz GGBUXJSBAICHOS-ZCFIWIBFSA-N -2 0 305.084 0.588 20 0 DCADRL C[C@@H](CS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccncc1)C(=O)[O-] ZINC001604209808 1169524641 /nfs/dbraw/zinc/52/46/41/1169524641.db2.gz KBFLKVDHZOQUEJ-WPRPVWTQSA-N -2 0 316.335 0.238 20 0 DCADRL O=P([O-])([O-])OCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC001251749195 945779473 /nfs/dbraw/zinc/77/94/73/945779473.db2.gz JDMQVPVNALZUAX-UHFFFAOYSA-N -2 0 315.671 0.728 20 0 DCADRL Cc1nc(S(=O)(=O)NN=c2[n-]ncc(N)c2Cl)cn1C ZINC001253087220 946056846 /nfs/dbraw/zinc/05/68/46/946056846.db2.gz VPEOWZXLIDEYPG-UHFFFAOYSA-N -2 0 317.762 0.060 20 0 DCADRL COc1ccccc1S(=O)(=O)NCCCC[P@@](=O)([O-])O ZINC001259303648 946941990 /nfs/dbraw/zinc/94/19/90/946941990.db2.gz ZXIWAQQANBVOBL-UHFFFAOYSA-N -2 0 323.307 0.931 20 0 DCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nccn3cnnc23)cc1 ZINC001260221498 947086505 /nfs/dbraw/zinc/08/65/05/947086505.db2.gz HNURUGXCRMSLAQ-UHFFFAOYSA-N -2 0 319.302 0.623 20 0 DCADRL Cc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)o1 ZINC001260220400 947086576 /nfs/dbraw/zinc/08/65/76/947086576.db2.gz RUYJPCOMWQHZCT-UHFFFAOYSA-N -2 0 315.282 0.694 20 0 DCADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(O)c2)cn1C ZINC001260549600 947112097 /nfs/dbraw/zinc/11/20/97/947112097.db2.gz LCCFDHDAQFHHOF-UHFFFAOYSA-N -2 0 310.335 0.334 20 0 DCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)c2ccsc2)nc1 ZINC001595221113 949249038 /nfs/dbraw/zinc/24/90/38/949249038.db2.gz ZZIBQUAPXRUJCV-UHFFFAOYSA-N -2 0 312.328 0.960 20 0 DCADRL C[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC001602806727 971591985 /nfs/dbraw/zinc/59/19/85/971591985.db2.gz ULQBCOHHGAQJAD-SECBINFHSA-N -2 0 300.336 0.200 20 0 DCADRL CCCN(CC(=O)[O-])C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1 ZINC001589666082 949893624 /nfs/dbraw/zinc/89/36/24/949893624.db2.gz IEPPRUYLKHLKRK-UHFFFAOYSA-N -2 0 320.305 0.203 20 0 DCADRL O=C([O-])CCCCCS(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001595040625 951418503 /nfs/dbraw/zinc/41/85/03/951418503.db2.gz IOOIHWFWUHHYPM-UHFFFAOYSA-N -2 0 307.368 0.948 20 0 DCADRL O=C([O-])[C@@H]1CC[C@H]1C(=O)[N-]S(=O)(=O)CC=C(Cl)Cl ZINC001595181989 952253723 /nfs/dbraw/zinc/25/37/23/952253723.db2.gz IXMBYIBGMAFNAB-PHDIDXHHSA-N -2 0 316.162 0.862 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)[C@H]2CCCSC2)on1 ZINC001595214189 952365480 /nfs/dbraw/zinc/36/54/80/952365480.db2.gz CASSQOZTXMKCEQ-LURJTMIESA-N -2 0 320.348 0.321 20 0 DCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C(C)C)cn1 ZINC001348481453 954327579 /nfs/dbraw/zinc/32/75/79/954327579.db2.gz NBVHJGYMMAXFEE-SNVBAGLBSA-N -2 0 300.336 0.552 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001593910999 955963949 /nfs/dbraw/zinc/96/39/49/955963949.db2.gz FFLZNWPENIAPQX-SECBINFHSA-N -2 0 323.273 0.178 20 0 DCADRL NS(=O)(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)ccc1[O-] ZINC001594655108 956502396 /nfs/dbraw/zinc/50/23/96/956502396.db2.gz MENBLGRMKQGLGL-SNVBAGLBSA-N -2 0 314.319 0.089 20 0 DCADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)c2ccccc21 ZINC001594730986 957039418 /nfs/dbraw/zinc/03/94/18/957039418.db2.gz IGMBHKLGLFKTIU-RKDXNWHRSA-N -2 0 316.273 0.326 20 0 DCADRL O=C([O-])c1cccc(NC(=O)C(=O)[N-]OC2CCOCC2)c1 ZINC001332338602 957755692 /nfs/dbraw/zinc/75/56/92/957755692.db2.gz GMPXJNFBVSHGBJ-UHFFFAOYSA-N -2 0 308.290 0.550 20 0 DCADRL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)cn1 ZINC001594111623 958511555 /nfs/dbraw/zinc/51/15/55/958511555.db2.gz KXBGSCWSUYPJDN-UHFFFAOYSA-N -2 0 309.303 0.984 20 0 DCADRL Cc1cccc(S(=O)(=O)[N-]C(=O)c2cnc(C(=O)[O-])cn2)c1 ZINC001594409535 958937351 /nfs/dbraw/zinc/93/73/51/958937351.db2.gz GDPFPZXXGUOVDH-UHFFFAOYSA-N -2 0 321.314 0.602 20 0 DCADRL O=C([O-])[C@H](CC[N-]C(=O)C(F)(F)F)[N-]C(=O)C(F)(F)F ZINC000206744254 959663157 /nfs/dbraw/zinc/66/31/57/959663157.db2.gz XKNQTHUJKXGFGN-VKHMYHEASA-N -3 0 310.150 0.187 20 0 DCADRL O=C(CSc1n[nH]c(=O)[n-]1)NC1(C(=O)[O-])CCCCC1 ZINC001574302720 960724808 /nfs/dbraw/zinc/72/48/08/960724808.db2.gz NLHLHTAUZIJADH-UHFFFAOYSA-N -2 0 300.340 0.506 20 0 DCADRL CCn1[n-]nnc1=NC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC001571084418 961030845 /nfs/dbraw/zinc/03/08/45/961030845.db2.gz DAAXTFQZTYLQLE-SNVBAGLBSA-N -2 0 304.310 0.105 20 0 DCADRL Cc1coc(CC(=O)[O-])c1C(=O)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001571084928 961042897 /nfs/dbraw/zinc/04/28/97/961042897.db2.gz RKARMAOFNWMZLT-MRVPVSSYSA-N -2 0 305.294 0.358 20 0 DCADRL CC[C@@](CNC(=O)CCc1nnn[n-]1)(C(=O)[O-])c1ccccc1 ZINC001571133882 961602933 /nfs/dbraw/zinc/60/29/33/961602933.db2.gz YILHKYJWVYWNQQ-HNNXBMFYSA-N -2 0 317.349 0.681 20 0 DCADRL Cn1[n-]c(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1=O ZINC001571138250 961635848 /nfs/dbraw/zinc/63/58/48/961635848.db2.gz SYYPZTOTCWLGLM-UHFFFAOYSA-N -2 0 318.289 0.192 20 0 DCADRL O=C([O-])CC1(CNC(=O)c2c[n-]n3c2nccc3=O)CCCC1 ZINC001571138679 961644237 /nfs/dbraw/zinc/64/42/37/961644237.db2.gz DRPKZVOPGJLRAB-UHFFFAOYSA-N -2 0 318.333 0.788 20 0 DCADRL CCN(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C(C)(C)C(=O)[O-] ZINC001571145682 961738773 /nfs/dbraw/zinc/73/87/73/961738773.db2.gz GMFWRMKGTTVVMX-UHFFFAOYSA-N -2 0 320.305 0.761 20 0 DCADRL CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315891689 963948476 /nfs/dbraw/zinc/94/84/76/963948476.db2.gz BYVZHIGOMOWOAY-MRVPVSSYSA-N -2 0 303.340 0.135 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)c2ccsc2)on1 ZINC000316217348 963990713 /nfs/dbraw/zinc/99/07/13/963990713.db2.gz NXQCCMVFHARRAE-MRVPVSSYSA-N -2 0 318.332 0.446 20 0 DCADRL C[C@@]1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCCCO1 ZINC001603292768 972558781 /nfs/dbraw/zinc/55/87/81/972558781.db2.gz PXINYKOUCSEWQW-NSHDSACASA-N -2 0 318.307 0.137 20 0 DCADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC(CNC(=O)C(F)(F)F)C1 ZINC001605018065 972617216 /nfs/dbraw/zinc/61/72/16/972617216.db2.gz BKEMXOKVPUHVQB-KBUNVGBDSA-N -2 0 308.256 0.234 20 0 DCADRL C[C@H]1CCCN(C(=O)CSc2n[nH]c(=O)[n-]2)[C@H]1C(=O)[O-] ZINC001603406732 973066047 /nfs/dbraw/zinc/06/60/47/973066047.db2.gz BSBYMIQDRPQREY-POYBYMJQSA-N -2 0 300.340 0.314 20 0 DCADRL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001606056231 973167253 /nfs/dbraw/zinc/16/72/53/973167253.db2.gz PCCCXNVYIOBUJA-SNVBAGLBSA-N -2 0 316.273 0.107 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001604435742 973237934 /nfs/dbraw/zinc/23/79/34/973237934.db2.gz YJHPBXRZVGMXRC-MRVPVSSYSA-N 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ZINC000275059913 301615599 /nfs/dbraw/zinc/61/55/99/301615599.db2.gz YSINNDALWWGCJK-QMMMGPOBSA-N -2 0 319.310 0.588 20 0 DCADRL CSc1ccccc1S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-] ZINC000577122710 341887822 /nfs/dbraw/zinc/88/78/22/341887822.db2.gz YNKPCUVMXISTHZ-SSDOTTSWSA-N -2 0 319.360 0.615 20 0 DCADRL O=C([O-])c1ncsc1S(=O)(=O)NCCOCC1CC1 ZINC000236471748 545950718 /nfs/dbraw/zinc/95/07/18/545950718.db2.gz PWXJLGGESQAXRP-UHFFFAOYSA-N -2 0 306.365 0.546 20 0 DCADRL CCN(C)C(=O)N[C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000672788845 547407078 /nfs/dbraw/zinc/40/70/78/547407078.db2.gz PPNMVTHQYQLCSL-GFCCVEGCSA-N -2 0 308.334 0.971 20 0 DCADRL CC1N=NC(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)=C1[O-] ZINC000684492371 548615652 /nfs/dbraw/zinc/61/56/52/548615652.db2.gz IUZOJXOBNJEAFS-UHFFFAOYSA-N -2 0 301.266 0.357 20 0 DCADRL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H](C)C(=O)[O-] ZINC000738149526 597176877 /nfs/dbraw/zinc/17/68/77/597176877.db2.gz RNAHMNADAGMKIF-MRVPVSSYSA-N -2 0 317.305 0.079 20 0 DCADRL Cc1nc2cc[n-]n2c(=O)c1CC(=O)NCCCCC(=O)[O-] ZINC000820927896 598168844 /nfs/dbraw/zinc/16/88/44/598168844.db2.gz WHGOLHWNCHSAFO-UHFFFAOYSA-N -2 0 306.322 0.245 20 0 DCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000739549599 599728627 /nfs/dbraw/zinc/72/86/27/599728627.db2.gz TWIJPTPSEXTOLV-RKDXNWHRSA-N -2 0 324.314 0.495 20 0 DCADRL O=C([O-])[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000739550962 599729956 /nfs/dbraw/zinc/72/99/56/599729956.db2.gz ZPFMYCXUYYNEHR-HTQZYQBOSA-N -2 0 318.738 0.402 20 0 DCADRL O=C([O-])NCCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000739956230 599797609 /nfs/dbraw/zinc/79/76/09/599797609.db2.gz CQJMAFGNLHNLDI-UHFFFAOYSA-N -2 0 318.326 0.820 20 0 DCADRL Cc1ccc(C(=O)NCCC(=O)N(C)C[C@H](C)C(=O)[O-])c(O)c1 ZINC000263137711 599815868 /nfs/dbraw/zinc/81/58/68/599815868.db2.gz GKUUORIJGXYIFO-NSHDSACASA-N -2 0 322.361 1.000 20 0 DCADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000739549059 599913022 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N#Cc1ccc([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1 ZINC000035651665 600672674 /nfs/dbraw/zinc/67/26/74/600672674.db2.gz GUXVFLKEROBWMJ-UHFFFAOYSA-N -2 0 306.303 0.640 20 0 DCADRL O=C([O-])COc1ccc(C(=O)[N-]S(=O)(=O)CCCF)cc1 ZINC000833253664 601193108 /nfs/dbraw/zinc/19/31/08/601193108.db2.gz QGBPYRJZUQJNLL-UHFFFAOYSA-N -2 0 319.310 0.569 20 0 DCADRL C[C@H](CS(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC000827571655 601241294 /nfs/dbraw/zinc/24/12/94/601241294.db2.gz ONHIBAPHEFWMLM-ZCFIWIBFSA-N -2 0 305.283 0.986 20 0 DCADRL CC[C@H](C)[C@H](NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1)C(=O)[O-] ZINC000828727517 601316361 /nfs/dbraw/zinc/31/63/61/601316361.db2.gz DECBHTZVYIFONG-HZMBPMFUSA-N -2 0 311.382 0.990 20 0 DCADRL Cc1ccc(NC(=O)c2cnc([O-])n(C)c2=O)c(C(=O)[O-])c1 ZINC000347324570 601341292 /nfs/dbraw/zinc/34/12/92/601341292.db2.gz FBLXPMYXNDSOCQ-UHFFFAOYSA-N -2 0 303.274 0.745 20 0 DCADRL COc1ccc(C(=O)[O-])c(NS(=O)(=O)C[C@H](C)C(=O)[O-])c1 ZINC000832182155 601615479 /nfs/dbraw/zinc/61/54/79/601615479.db2.gz AYFJYOWYHGSJDB-ZETCQYMHSA-N -2 0 317.319 0.856 20 0 DCADRL O=C([O-])[C@@H]1COCCN1C(=O)CSc1n[n-]c(=S)s1 ZINC000833193345 601720721 /nfs/dbraw/zinc/72/07/21/601720721.db2.gz XTLXGTQSIFJMIB-YFKPBYRVSA-N -2 0 321.405 0.231 20 0 DCADRL C[C@H]1CN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C[C@@H]1C(=O)[O-] ZINC000828414467 601761038 /nfs/dbraw/zinc/76/10/38/601761038.db2.gz ZZWMFGKQCPWECR-RCOVLWMOSA-N -2 0 318.289 0.229 20 0 DCADRL Cc1nc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])cn1C ZINC000833002680 602155673 /nfs/dbraw/zinc/15/56/73/602155673.db2.gz FSWBOTMUOFGPQG-UHFFFAOYSA-N -2 0 302.337 0.684 20 0 DCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000827303057 602178680 /nfs/dbraw/zinc/17/86/80/602178680.db2.gz AHQBWWUHVYYLCZ-SNVBAGLBSA-N -2 0 314.363 0.590 20 0 DCADRL C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000827304441 602191711 /nfs/dbraw/zinc/19/17/11/602191711.db2.gz VARVXVIYXGVTQA-LURJTMIESA-N -2 0 306.727 0.651 20 0 DCADRL O=C([O-])Cn1ccc([N-]S(=O)(=O)c2cccc3nonc32)n1 ZINC000833277125 602199309 /nfs/dbraw/zinc/19/93/09/602199309.db2.gz KTLSFQRJGZOVRK-UHFFFAOYSA-N -2 0 323.290 0.305 20 0 DCADRL CCS(=O)(=O)[N-]C(=O)[C@@H](CNC(=O)[O-])c1ccccc1 ZINC000827476047 603443593 /nfs/dbraw/zinc/44/35/93/603443593.db2.gz SCENTQKJJQKFIN-JTQLQIEISA-N -2 0 300.336 0.504 20 0 DCADRL O=C([O-])N[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccccn2)C1 ZINC000832277779 603452135 /nfs/dbraw/zinc/45/21/35/603452135.db2.gz KIWFRUYJUUZMBD-DTWKUNHWSA-N -2 0 313.335 0.323 20 0 DCADRL COc1ccccc1S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000829649907 603472180 /nfs/dbraw/zinc/47/21/80/603472180.db2.gz MSTFLOJTUFWTBO-UHFFFAOYSA-N -2 0 316.335 0.548 20 0 DCADRL CCC(CC)(CNC(=O)c1cnc([O-])n(C)c1=O)NC(=O)[O-] ZINC000826548094 603594695 /nfs/dbraw/zinc/59/46/95/603594695.db2.gz STWDUNIAEPELEQ-UHFFFAOYSA-N -2 0 312.326 0.042 20 0 DCADRL C[C@@H](C(=O)NCc1n[nH]c(=O)[n-]1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823703979 603952288 /nfs/dbraw/zinc/95/22/88/603952288.db2.gz QTSDHAPKZORVCJ-KCJUWKMLSA-N -2 0 319.321 0.772 20 0 DCADRL CCCC[C@@H](CNC(=O)[O-])NC(=O)c1cnc([O-])n(C)c1=O ZINC000826801573 604015207 /nfs/dbraw/zinc/01/52/07/604015207.db2.gz VDMJLXRSUPUZTI-QMMMGPOBSA-N -2 0 312.326 0.042 20 0 DCADRL O=C([O-])N[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)N2CCCC2)C1 ZINC000832327379 604236690 /nfs/dbraw/zinc/23/66/90/604236690.db2.gz XVEAVSZKGDQXDA-NXEZZACHSA-N -2 0 319.383 0.270 20 0 DCADRL C[C@@H](CN(C)C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000824868188 604257291 /nfs/dbraw/zinc/25/72/91/604257291.db2.gz KGLGYFMPSGJJMO-QMMMGPOBSA-N -2 0 301.324 0.132 20 0 DCADRL CN(CCCC(=O)[N-]S(=O)(=O)c1ccsc1)C(=O)[O-] ZINC000830763375 604412932 /nfs/dbraw/zinc/41/29/32/604412932.db2.gz MNBMMPHBLLKGKN-UHFFFAOYSA-N -2 0 306.365 0.943 20 0 DCADRL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)cc1 ZINC000825397071 604582721 /nfs/dbraw/zinc/58/27/21/604582721.db2.gz GISRGQZILSREAF-SSDOTTSWSA-N -2 0 305.294 0.769 20 0 DCADRL CC(C)[C@@H](NS(=O)(=O)c1ccccc1C(=O)[O-])C(=O)[O-] ZINC000833508112 604882427 /nfs/dbraw/zinc/88/24/27/604882427.db2.gz JHLLWINRFUIEBS-SNVBAGLBSA-N -2 0 301.320 0.772 20 0 DCADRL CC[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000827524826 605171652 /nfs/dbraw/zinc/17/16/52/605171652.db2.gz SQOLOMUMHRHWPJ-JTQLQIEISA-N -2 0 318.326 0.818 20 0 DCADRL O=C(/C=C/c1ccccc1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000831291323 605266977 /nfs/dbraw/zinc/26/69/77/605266977.db2.gz DLQMBCUHYIJQRK-SYTKJHMZSA-N -2 0 324.358 0.898 20 0 DCADRL CC(C)(C)/C=C\C(=O)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000823759469 605275802 /nfs/dbraw/zinc/27/58/02/605275802.db2.gz IHACBPLGWJCNGH-RNEXMXFGSA-N -2 0 304.368 0.787 20 0 DCADRL O=C(C=C1CCCC1)[N-]S(=O)(=O)[C@@H]1CCN(C(=O)[O-])C1 ZINC000831292139 605276296 /nfs/dbraw/zinc/27/62/96/605276296.db2.gz JUPPRIIZDCQHQI-SNVBAGLBSA-N -2 0 302.352 0.685 20 0 DCADRL O=C(CCOCC1CC1)[N-]S(=O)(=O)[C@H]1CCN(C(=O)[O-])C1 ZINC000831434047 605283747 /nfs/dbraw/zinc/28/37/47/605283747.db2.gz YORVXRKVLGIPSX-JTQLQIEISA-N -2 0 320.367 0.001 20 0 DCADRL O=C([O-])N1CCC2(C[C@@H]2C(=O)[N-]S(=O)(=O)CC2CC2)CC1 ZINC000834048385 605952075 /nfs/dbraw/zinc/95/20/75/605952075.db2.gz KYQBHQLFTJPODV-SNVBAGLBSA-N -2 0 316.379 0.623 20 0 DCADRL C[C@H](CC(=O)OCc1n[nH]c(=O)[n-]1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000833803044 605955424 /nfs/dbraw/zinc/95/54/24/605955424.db2.gz ZTTOHFOSGTXHLE-RKDXNWHRSA-N -2 0 312.326 0.970 20 0 DCADRL COCCN(CC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC000833884449 606049418 /nfs/dbraw/zinc/04/94/18/606049418.db2.gz LZXCVQXVFADGOE-OAHLLOKOSA-N -2 0 324.333 0.729 20 0 DCADRL O=C([O-])CN(C(=O)[C@@H]1CCCN(C(=O)[O-])C1)C1CCOCC1 ZINC000834060995 606051214 /nfs/dbraw/zinc/05/12/14/606051214.db2.gz ZWTQIQHEKNFAIL-SNVBAGLBSA-N -2 0 314.338 0.469 20 0 DCADRL COCCN(CC(=O)NC1(CC(=O)[O-])CCCCC1)C(=O)[O-] ZINC000833884685 606051990 /nfs/dbraw/zinc/05/19/90/606051990.db2.gz RWBQTHLKMVUHIF-UHFFFAOYSA-N -2 0 316.354 0.907 20 0 DCADRL O=C([O-])CC1(NC(=O)[C@H]2CCCN(C(=O)[O-])C2)CCOCC1 ZINC000834061771 606052750 /nfs/dbraw/zinc/05/27/50/606052750.db2.gz ZWYJYXRHMQBNGD-JTQLQIEISA-N -2 0 314.338 0.517 20 0 DCADRL C[C@@H](NC(=O)[O-])C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1 ZINC000833894817 606056342 /nfs/dbraw/zinc/05/63/42/606056342.db2.gz HPQPPHCPZPYPRM-MRVPVSSYSA-N -2 0 323.305 0.025 20 0 DCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc[nH]n1 ZINC000903408470 663453829 /nfs/dbraw/zinc/45/38/29/663453829.db2.gz INPIRGPLQASQBW-RKDXNWHRSA-N -2 0 320.271 0.506 20 0 DCADRL CCO[N-]C(=O)CN(CC(=O)[N-]OCC)Cc1ccccc1 ZINC000754942491 664905165 /nfs/dbraw/zinc/90/51/65/664905165.db2.gz QALYPXHNAZXFOX-UHFFFAOYSA-N -2 0 309.366 0.624 20 0 DCADRL CC[C@@H](NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1)C(=O)[O-] ZINC000917719831 665141096 /nfs/dbraw/zinc/14/10/96/665141096.db2.gz JBXGDLVSLKGUAV-ZCFIWIBFSA-N -2 0 307.349 0.896 20 0 DCADRL COC(=O)CCCS(=O)(=O)[N-]C(=O)CCCCC(=O)[O-] ZINC000863955221 667198731 /nfs/dbraw/zinc/19/87/31/667198731.db2.gz DWDLSGTTXWPDHM-UHFFFAOYSA-N -2 0 309.340 0.031 20 0 DCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000863953774 667197894 /nfs/dbraw/zinc/19/78/94/667197894.db2.gz YNHBUFLNIYSJNA-NSHDSACASA-N -2 0 315.347 0.857 20 0 DCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)cn1 ZINC000863958303 667200439 /nfs/dbraw/zinc/20/04/39/667200439.db2.gz UGHJSDRQQVRASZ-VIFPVBQESA-N -2 0 314.319 0.018 20 0 DCADRL Cc1cc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)c(C)o1 ZINC000863958212 667200454 /nfs/dbraw/zinc/20/04/54/667200454.db2.gz PHAGAIUYDXWZJY-UHFFFAOYSA-N -2 0 301.320 0.956 20 0 DCADRL COc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C(C)C)cn1 ZINC000863960573 667201414 /nfs/dbraw/zinc/20/14/14/667201414.db2.gz VHYIPDBHESDYFA-JTQLQIEISA-N -2 0 316.335 0.252 20 0 DCADRL CO[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C1CCCC1 ZINC000863960615 667201499 /nfs/dbraw/zinc/20/14/99/667201499.db2.gz WSJHOEDTTJUIRJ-SCZZXKLOSA-N -2 0 307.368 0.358 20 0 DCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2ccc(F)cn2)CC=CC1 ZINC000863963173 667202377 /nfs/dbraw/zinc/20/23/77/667202377.db2.gz MZLBJFMNKQDAKX-UHFFFAOYSA-N -2 0 314.294 0.447 20 0 DCADRL O=C([O-])COCC(=O)[N-]S(=O)(=O)CCC1CCCCC1 ZINC000863963301 667202672 /nfs/dbraw/zinc/20/26/72/667202672.db2.gz RFHSMLWMQOWFKD-UHFFFAOYSA-N -2 0 307.368 0.504 20 0 DCADRL Cc1cccc(C)c1CS(=O)(=O)[N-]C(=O)COCC(=O)[O-] ZINC000863963894 667203086 /nfs/dbraw/zinc/20/30/86/667203086.db2.gz JZNAJCDJKYVPAP-UHFFFAOYSA-N -2 0 315.347 0.351 20 0 DCADRL O=C([O-])CCC(=O)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC000863965331 667203478 /nfs/dbraw/zinc/20/34/78/667203478.db2.gz GVAXYSOISBUIAD-UHFFFAOYSA-N -2 0 307.274 0.776 20 0 DCADRL CN(CCCC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000747848014 667914296 /nfs/dbraw/zinc/91/42/96/667914296.db2.gz KTWANUTYLGYYBP-UHFFFAOYSA-N -2 0 307.349 0.932 20 0 DCADRL O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1cccc(C(F)F)c1 ZINC000790619214 669562247 /nfs/dbraw/zinc/56/22/47/669562247.db2.gz AKNSLIAYGXZXTC-UHFFFAOYSA-N -2 0 323.273 0.784 20 0 DCADRL Cn1nc([N-]S(=O)(=O)c2ccc(Cl)nc2)cc1C(=O)[O-] ZINC000791432427 669610403 /nfs/dbraw/zinc/61/04/03/669610403.db2.gz MIMQAPOOJBNWHO-UHFFFAOYSA-N -2 0 316.726 0.968 20 0 DCADRL CCc1cccc(S(=O)(=O)[N-][N-]C(=O)c2cnccn2)c1 ZINC000080938125 670396770 /nfs/dbraw/zinc/39/67/70/670396770.db2.gz BASXSLDUDZJYGJ-UHFFFAOYSA-N -2 0 306.347 0.662 20 0 DCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1nc(Br)ccc1F ZINC000816732967 670852161 /nfs/dbraw/zinc/85/21/61/670852161.db2.gz DEMWDNBTIJLYNK-UHFFFAOYSA-N -2 0 318.062 0.370 20 0 DCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cn(-c2cccc(Cl)c2)nn1 ZINC000820282955 671187099 /nfs/dbraw/zinc/18/70/99/671187099.db2.gz QVKQOWQPIZFRMW-UHFFFAOYSA-N -2 0 321.684 0.307 20 0 DCADRL Cc1cccc(C(=O)[N-]S(=O)(=O)[C@H]2CCN(C(=O)[O-])C2)n1 ZINC000830466230 671629367 /nfs/dbraw/zinc/62/93/67/671629367.db2.gz VRBSJGBYNGMRFX-VIFPVBQESA-N -2 0 313.335 0.202 20 0 DCADRL O=C([O-])c1cn(CC(=O)NCc2n[nH]c(=O)[n-]2)c2ccccc12 ZINC000833119919 671746418 /nfs/dbraw/zinc/74/64/18/671746418.db2.gz NFFIARLDGSXEHU-UHFFFAOYSA-N -2 0 315.289 0.480 20 0 DCADRL C[C@@H]1C[C@@H](C)CN(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])C1 ZINC000388779718 685255756 /nfs/dbraw/zinc/25/57/56/685255756.db2.gz QGYZPGFKBUBOMU-HTQZYQBOSA-N -2 0 300.327 0.519 20 0 DCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1cc(F)cc(F)c1 ZINC000739693110 685329885 /nfs/dbraw/zinc/32/98/85/685329885.db2.gz VOUVWEWYHVDDII-UHFFFAOYSA-N -2 0 307.274 0.889 20 0 DCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)C1(C(=O)[O-])CC1 ZINC001609951041 1159830585 /nfs/dbraw/zinc/83/05/85/1159830585.db2.gz NVIAFPVWCWTUFO-MRVPVSSYSA-N -2 0 321.351 0.029 20 0 DCADRL CC(C)(C)[C@H](NC(=O)c1ccc(C(=O)[O-])cn1)c1nc(=O)o[n-]1 ZINC001573455709 1163438212 /nfs/dbraw/zinc/43/82/12/1163438212.db2.gz HZXNXQAEDIULLK-SECBINFHSA-N -2 0 320.305 0.973 20 0 DCADRL CC(C)n1nnc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001573534965 1163463047 /nfs/dbraw/zinc/46/30/47/1163463047.db2.gz GLTQSAVFUQRXGC-UHFFFAOYSA-N -2 0 311.323 0.753 20 0 DCADRL CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1ccc(O)cn1 ZINC001573864806 1163572468 /nfs/dbraw/zinc/57/24/68/1163572468.db2.gz NHSJZRLMKNHMMH-SNVBAGLBSA-N -2 0 321.333 0.182 20 0 DCADRL O=C([O-])[C@H](NC(=O)c1cccc(F)c1[O-])[C@@H](O)c1ccncc1 ZINC001574309352 1163693549 /nfs/dbraw/zinc/69/35/49/1163693549.db2.gz VUYDTKZKGRISRA-NEPJUHHUSA-N -2 0 320.276 0.843 20 0 DCADRL O=C([O-])[C@@H](CNS(=O)(=O)c1ncc[n-]1)Cc1ccccc1 ZINC001574345420 1163700092 /nfs/dbraw/zinc/70/00/92/1163700092.db2.gz LOGULIBNKKNXSK-LLVKDONJSA-N -2 0 309.347 0.632 20 0 DCADRL O=C([O-])[C@@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)C1CC1 ZINC001574352868 1163701450 /nfs/dbraw/zinc/70/14/50/1163701450.db2.gz KLNZCTUHPTZNFM-LURJTMIESA-N -2 0 313.257 0.570 20 0 DCADRL O=C([O-])N1CCC[C@@H](C(=O)N2CCC(c3nnn[n-]3)CC2)C1 ZINC001574377660 1163710771 /nfs/dbraw/zinc/71/07/71/1163710771.db2.gz XDITTYFSPFXLDA-SNVBAGLBSA-N -2 0 308.342 0.296 20 0 DCADRL O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)C(F)F)cc1 ZINC000020017199 1165793291 /nfs/dbraw/zinc/79/32/91/1165793291.db2.gz HRUBBIWVTSWAPX-UHFFFAOYSA-N -2 0 308.262 0.465 20 0 DCADRL Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001592430604 1167519565 /nfs/dbraw/zinc/51/95/65/1167519565.db2.gz QIZIYSUDFGYRGB-UHFFFAOYSA-N -2 0 323.338 0.611 20 0 DCADRL Cc1cc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c2nccn2c1 ZINC001600096079 1168119202 /nfs/dbraw/zinc/11/92/02/1168119202.db2.gz AZXPQSOKOTXORU-QMMMGPOBSA-N -2 0 311.319 0.175 20 0 DCADRL Cc1cc(C(=O)[O-])cc(C(=O)N2CC[C@@H](c3nnn[n-]3)C2)c1 ZINC001600109851 1168122089 /nfs/dbraw/zinc/12/20/89/1168122089.db2.gz KGCMICYVWCKHGZ-SECBINFHSA-N -2 0 301.306 0.836 20 0 DCADRL Cc1cc(C)cc([C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C(=O)[O-])c1 ZINC001600168269 1168129365 /nfs/dbraw/zinc/12/93/65/1168129365.db2.gz LVOPNIORMAHFJD-SECBINFHSA-N -2 0 318.289 0.455 20 0 DCADRL Cc1noc(C(F)F)c1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001600805382 1168305695 /nfs/dbraw/zinc/30/56/95/1168305695.db2.gz ZUQZOOLUDNSLMD-SCSAIBSYSA-N -2 0 312.250 0.453 20 0 DCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)c1ccnn1C ZINC001600836517 1168481441 /nfs/dbraw/zinc/48/14/41/1168481441.db2.gz NWMGJJCWNFDBPN-UHFFFAOYSA-N -2 0 313.291 0.138 20 0 DCADRL O=C([O-])c1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)ccn1 ZINC001601427943 1168743770 /nfs/dbraw/zinc/74/37/70/1168743770.db2.gz RQVLQARSIOSPHB-GFCCVEGCSA-N -2 0 324.300 0.812 20 0 DCADRL O=C([O-])[C@@H](O)CCNC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001601507750 1168768842 /nfs/dbraw/zinc/76/88/42/1168768842.db2.gz DXCJASPNQPMLQK-JTQLQIEISA-N -2 0 323.280 0.282 20 0 DCADRL O=C([O-])c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC001601597302 1168791806 /nfs/dbraw/zinc/79/18/06/1168791806.db2.gz UPXZLIJTAQSCGC-SNVBAGLBSA-N -2 0 306.274 0.399 20 0 DCADRL O=C([O-])[C@H](O)C1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC001601686117 1168818292 /nfs/dbraw/zinc/81/82/92/1168818292.db2.gz VOSOJBRSXBQZNY-LLVKDONJSA-N -2 0 315.272 0.968 20 0 DCADRL O=C([O-])C1=CC[C@H](NC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC001601734882 1168839975 /nfs/dbraw/zinc/83/99/75/1168839975.db2.gz PZGDDFMDSHEVFA-VIFPVBQESA-N -2 0 318.285 0.613 20 0 DCADRL O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC001601756645 1168854070 /nfs/dbraw/zinc/85/40/70/1168854070.db2.gz CXQQPOWUMIMSFQ-GMSGAONNSA-N -2 0 319.235 0.860 20 0 DCADRL O=C([O-])C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])s1)C1CC1 ZINC001601909012 1168929928 /nfs/dbraw/zinc/92/99/28/1168929928.db2.gz VOMYLPDFMROMDR-ZETCQYMHSA-N -2 0 319.360 0.978 20 0 DCADRL O=C([O-])CC1(Cn2cc(C[N-]C(=O)C(F)(F)F)nn2)CC1 ZINC001601923389 1168936271 /nfs/dbraw/zinc/93/62/71/1168936271.db2.gz RYLGYXBDJBKAFZ-UHFFFAOYSA-N -2 0 306.244 0.712 20 0 DCADRL O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccccc1[O-] ZINC001601965039 1168950625 /nfs/dbraw/zinc/95/06/25/1168950625.db2.gz ISAMCKVDYVDOMC-VIFPVBQESA-N -2 0 301.320 0.256 20 0 DCADRL O=C([O-])CCCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC001601991352 1168953625 /nfs/dbraw/zinc/95/36/25/1168953625.db2.gz WSVVPVKUFJSEBB-UHFFFAOYSA-N -2 0 300.292 0.366 20 0 DCADRL O=C([O-])CCCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001601989316 1168953662 /nfs/dbraw/zinc/95/36/62/1168953662.db2.gz MFSNCOOODHXJLP-UHFFFAOYSA-N -2 0 315.347 0.847 20 0 DCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)C[C@@H]1CNc2ccccc21 ZINC001602003799 1168958360 /nfs/dbraw/zinc/95/83/60/1168958360.db2.gz GBSHEJYLWAFBEN-SNVBAGLBSA-N -2 0 306.318 0.974 20 0 DCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)Cc1ccc(F)cc1F ZINC001602004817 1168959028 /nfs/dbraw/zinc/95/90/28/1168959028.db2.gz NDXRYMINMMUWFP-UHFFFAOYSA-N -2 0 301.245 0.895 20 0 DCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)CC(F)(F)C(F)(F)F ZINC001602003759 1168959107 /nfs/dbraw/zinc/95/91/07/1168959107.db2.gz CIMBCSIHJUJDEK-UHFFFAOYSA-N -2 0 307.171 0.962 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001602097379 1168994116 /nfs/dbraw/zinc/99/41/16/1168994116.db2.gz PTYQFLMGVVKTDK-VHSXEESVSA-N -2 0 301.295 0.460 20 0 DCADRL O=C([O-])Cc1ccc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC001602121167 1168998892 /nfs/dbraw/zinc/99/88/92/1168998892.db2.gz FJQIHUUFWGIMPD-ZDUSSCGKSA-N -2 0 322.317 0.827 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])ccc1F ZINC001602294975 1169050527 /nfs/dbraw/zinc/05/05/27/1169050527.db2.gz AKBLRZMTIYKKBV-MRVPVSSYSA-N -2 0 309.246 0.225 20 0 DCADRL O=C([O-])c1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1 ZINC001602392730 1169068336 /nfs/dbraw/zinc/06/83/36/1169068336.db2.gz BAEMCPFQQTZJLE-QMMMGPOBSA-N -2 0 317.294 0.619 20 0 DCADRL O=C([O-])c1cccc(S(=O)(=O)N[C@H](CC2CC2)C(=O)[O-])c1 ZINC001602451735 1169080837 /nfs/dbraw/zinc/08/08/37/1169080837.db2.gz IXRUVGQSBXVQSX-LLVKDONJSA-N -2 0 313.331 0.916 20 0 DCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cccc2c1CCO2 ZINC001602507091 1169101760 /nfs/dbraw/zinc/10/17/60/1169101760.db2.gz LTZXXYOWCHIFAU-UHFFFAOYSA-N -2 0 309.303 0.844 20 0 DCADRL O=C([O-])c1cnoc1Cn1cc(C[N-]C(=O)C(F)(F)F)nn1 ZINC001602546918 1169114150 /nfs/dbraw/zinc/11/41/50/1169114150.db2.gz DPRHCLFIDGZDKC-UHFFFAOYSA-N -2 0 319.199 0.191 20 0 DCADRL O=C([O-])c1sccc1S(=O)(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC001602597588 1169129410 /nfs/dbraw/zinc/12/94/10/1169129410.db2.gz NSDATABILDMRCR-ZETCQYMHSA-N -2 0 319.360 0.978 20 0 DCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C[C@H](C)n1cccn1 ZINC001603187682 1169270162 /nfs/dbraw/zinc/27/01/62/1169270162.db2.gz IVFXTEVEQAGBSS-GUBZILKMSA-N -2 0 317.367 0.389 20 0 DCADRL CC(C)(C)OC(=O)C1=NO[C@H](C(=O)[N-]OCCCC(=O)[O-])C1 ZINC001603358257 1169302140 /nfs/dbraw/zinc/30/21/40/1169302140.db2.gz GZEXUAZCAVRECF-VIFPVBQESA-N -2 0 316.310 0.386 20 0 DCADRL CC(C)(CNS(=O)(=O)c1occc1C(=O)[O-])OCCO ZINC001603647771 1169343072 /nfs/dbraw/zinc/34/30/72/1169343072.db2.gz UZBVLNPARMZNTL-UHFFFAOYSA-N -2 0 307.324 0.044 20 0 DCADRL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC001604061272 1169483609 /nfs/dbraw/zinc/48/36/09/1169483609.db2.gz RZNAOAJCNWJWJO-HFSLJOEWSA-N -2 0 313.335 0.212 20 0 DCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1nc(Cl)cs1 ZINC001604094889 1169492145 /nfs/dbraw/zinc/49/21/45/1169492145.db2.gz GGVPZHQTEFFMPU-SCSAIBSYSA-N -2 0 312.756 0.712 20 0 DCADRL CCCC(=O)OCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604126157 1169500813 /nfs/dbraw/zinc/50/08/13/1169500813.db2.gz WYEUXZSTNUMKNF-UHFFFAOYSA-N -2 0 303.282 0.458 20 0 DCADRL C[C@H](CN(C)S(=O)(=O)Cc1ccccc1C(=O)[O-])C(=O)[O-] ZINC001604158898 1169509714 /nfs/dbraw/zinc/50/97/14/1169509714.db2.gz XXCAJQRBLTVIFV-SECBINFHSA-N -2 0 315.347 0.867 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1[C@@H](C)[C@@H]1c1ccccc1 ZINC001604623481 1169633559 /nfs/dbraw/zinc/63/35/59/1169633559.db2.gz MBEUPCGWWYDTPW-SPFNVWMYSA-N -2 0 311.359 0.955 20 0 DCADRL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001604637128 1169640571 /nfs/dbraw/zinc/64/05/71/1169640571.db2.gz MKZWNIAOQDZZGX-RNFRBKRXSA-N -2 0 319.360 0.930 20 0 DCADRL C[C@@H]1CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001604802734 1169691311 /nfs/dbraw/zinc/69/13/11/1169691311.db2.gz MSEYXQWDXOCDGA-VXNVDRBHSA-N -2 0 316.335 0.444 20 0 DCADRL CC[C@@H](C)n1ncc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])c1C ZINC001604978305 1169769560 /nfs/dbraw/zinc/76/95/60/1169769560.db2.gz YRSDTIRIWPFWNY-SSDOTTSWSA-N -2 0 303.340 0.307 20 0 DCADRL CC[C@H](CNS(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)[O-] ZINC001605041657 1169790910 /nfs/dbraw/zinc/79/09/10/1169790910.db2.gz QDRHGSMRTXXGHL-SSDOTTSWSA-N -2 0 305.308 0.675 20 0 DCADRL CC[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)C(=O)[O-] ZINC001605041459 1169790929 /nfs/dbraw/zinc/79/09/29/1169790929.db2.gz LHQVIDWJKSLMSN-ZETCQYMHSA-N -2 0 304.324 0.112 20 0 DCADRL CC[C@@H]1C[C@@H](CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])CCO1 ZINC001605153846 1169851247 /nfs/dbraw/zinc/85/12/47/1169851247.db2.gz FDQLMBDWOQUBCH-LPEHRKFASA-N -2 0 307.368 0.501 20 0 DCADRL CCCn1cc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cn1 ZINC001605389176 1169909310 /nfs/dbraw/zinc/90/93/10/1169909310.db2.gz BCOIEEXZSXVJHX-RKDXNWHRSA-N -2 0 317.367 0.462 20 0 DCADRL CCn1[n-]nnc1=NC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001605951971 1170033309 /nfs/dbraw/zinc/03/33/09/1170033309.db2.gz NJAPTSHPYNRSBJ-VIFPVBQESA-N -2 0 310.358 0.470 20 0 DCADRL COC1(C[C@H](NS(=O)(=O)C[C@H](C)C(=O)[O-])C(=O)[O-])CCC1 ZINC001606714263 1170271759 /nfs/dbraw/zinc/27/17/59/1170271759.db2.gz IZKVGWHCXGKFBK-IUCAKERBSA-N -2 0 323.367 0.039 20 0 DCADRL O=C([O-])CCC1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001606960496 1170340526 /nfs/dbraw/zinc/34/05/26/1170340526.db2.gz JJJIIEVXBLVPLF-UHFFFAOYSA-N -2 0 303.326 0.738 20 0 DCADRL COc1cc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])ccc1C(=O)[O-] ZINC001607171975 1170411826 /nfs/dbraw/zinc/41/18/26/1170411826.db2.gz XPYXISQLBGMJNS-SSDOTTSWSA-N -2 0 324.289 0.169 20 0 DCADRL COc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])cc1 ZINC001607206309 1170414223 /nfs/dbraw/zinc/41/42/23/1170414223.db2.gz SLGXSJTVBADYCM-RKDXNWHRSA-N -2 0 315.347 0.864 20 0 DCADRL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccn(C)n2)oc1C(=O)[O-] ZINC001607705675 1170498246 /nfs/dbraw/zinc/49/82/46/1170498246.db2.gz RGUICGCLDUAOTQ-UHFFFAOYSA-N -2 0 313.291 0.138 20 0 DCADRL Cc1n[nH]c(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1[O-] ZINC001607935332 1170527404 /nfs/dbraw/zinc/52/74/04/1170527404.db2.gz LPFPLFDMQWWGRW-SSDOTTSWSA-N -2 0 305.294 0.583 20 0 DCADRL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])s1 ZINC001607948581 1170531411 /nfs/dbraw/zinc/53/14/11/1170531411.db2.gz ZJNXOXKBSOQZMX-UHFFFAOYSA-N -2 0 320.392 0.930 20 0 DCADRL Cc1nc([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)sc1C(=O)[O-] ZINC001607965922 1170535862 /nfs/dbraw/zinc/53/58/62/1170535862.db2.gz CXNBWEUDLCUYPK-LURJTMIESA-N -2 0 321.380 0.368 20 0 DCADRL Cn1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc3c2OCC3)n1 ZINC001608100402 1170572591 /nfs/dbraw/zinc/57/25/91/1170572591.db2.gz RIXRMWROXYNUCK-UHFFFAOYSA-N -2 0 323.330 0.854 20 0 DCADRL Cn1cc(S(=O)(=O)NCCCCC(=O)[O-])cc1C(=O)[O-] ZINC001608121578 1170581537 /nfs/dbraw/zinc/58/15/37/1170581537.db2.gz NOHIVJMJXGWYQY-UHFFFAOYSA-N -2 0 304.324 0.257 20 0 DCADRL Cn1[n-]c(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])cc1=O ZINC001608142408 1170592434 /nfs/dbraw/zinc/59/24/34/1170592434.db2.gz MZMXQWBZSODWIN-CYBMUJFWSA-N -2 0 317.301 0.786 20 0 DCADRL O=C([O-])[C@@H](CC1OCCO1)NC(=O)c1ccc([O-])c(Cl)c1 ZINC001608396718 1170667799 /nfs/dbraw/zinc/66/77/99/1170667799.db2.gz OVAFYOZSNOAQTR-SECBINFHSA-N -2 0 315.709 0.992 20 0 DCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)CC1 ZINC001608566094 1170703374 /nfs/dbraw/zinc/70/33/74/1170703374.db2.gz ITPMRSBRTMWWJF-UHFFFAOYSA-N -2 0 313.331 0.376 20 0 DCADRL O=C([O-])C1(C(=O)[N-]S(=O)(=O)c2cccc3cccnc32)CC1 ZINC001608566611 1170703723 /nfs/dbraw/zinc/70/37/23/1170703723.db2.gz RRRZBYHNYJSQCW-UHFFFAOYSA-N -2 0 320.326 0.905 20 0 DCADRL O=C([O-])c1[n-][nH]c(=O)c1C(=O)Nc1nc2c(s1)CCCC2 ZINC001608590141 1170709329 /nfs/dbraw/zinc/70/93/29/1170709329.db2.gz CAAUQVCOPSIMCD-SSDOTTSWSA-N -2 0 308.319 0.147 20 0 DCADRL O=C([O-])C1=NO[C@]2(CCN(C(=O)c3ccc(F)cc3[O-])C2)C1 ZINC001608591358 1170709575 /nfs/dbraw/zinc/70/95/75/1170709575.db2.gz YNTBBDCGFTWZTE-CQSZACIVSA-N -2 0 308.265 0.977 20 0 DCADRL O=C([O-])[C@H]1CC12CCN(C(=O)CSc1n[nH]c(=O)[n-]1)CC2 ZINC001608606421 1170716055 /nfs/dbraw/zinc/71/60/55/1170716055.db2.gz NWESKBQHWOWMBY-SSDOTTSWSA-N -2 0 312.351 0.316 20 0 DCADRL O=C([O-])[C@H]1CCCCCN1S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001608629726 1170725777 /nfs/dbraw/zinc/72/57/77/1170725777.db2.gz ZIQSTWBPAJNSGC-SNVBAGLBSA-N -2 0 319.379 0.900 20 0 DCADRL O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC001608674381 1170734208 /nfs/dbraw/zinc/73/42/08/1170734208.db2.gz SZOZLFNVXGUTOP-SSDOTTSWSA-N -2 0 303.292 0.509 20 0 DCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1ccc(C(F)F)nc1 ZINC001608716040 1170741869 /nfs/dbraw/zinc/74/18/69/1170741869.db2.gz SGXHYIJCOQXXFF-UHFFFAOYSA-N -2 0 317.248 0.870 20 0 DCADRL O=C([O-])CCCO[N-]C(=O)C(=O)Nc1cnc(CC2CC2)nc1 ZINC001608715787 1170742034 /nfs/dbraw/zinc/74/20/34/1170742034.db2.gz GDVZRPBSNJTQKN-UHFFFAOYSA-N -2 0 322.321 0.280 20 0 DCADRL O=C([O-])CCCO[N-]C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC001608716430 1170742748 /nfs/dbraw/zinc/74/27/48/1170742748.db2.gz MIUALCFDNUOEHG-UHFFFAOYSA-N -2 0 316.260 0.607 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)c1ccn(C2CCCC2)n1 ZINC001608766644 1170752507 /nfs/dbraw/zinc/75/25/07/1170752507.db2.gz WMYDCJBJQAQSLA-UHFFFAOYSA-N -2 0 301.324 0.142 20 0 DCADRL C[C@@H](CS(=O)(=O)N1CCCC[C@H]1CCC(=O)[O-])C(=O)[O-] ZINC001609748415 1171077776 /nfs/dbraw/zinc/07/77/76/1171077776.db2.gz XFGWDJOTSGOQLG-UWVGGRQHSA-N -2 0 307.368 0.756 20 0 DCADRL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2scnc2C(=O)[O-])CO1 ZINC001609839760 1171101213 /nfs/dbraw/zinc/10/12/13/1171101213.db2.gz MXPQQIFURVVVOF-WDSKDSINSA-N -2 0 320.348 0.071 20 0 DCADRL C[C@H]1C[C@H](C(=O)[O-])CN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001609840134 1171101610 /nfs/dbraw/zinc/10/16/10/1171101610.db2.gz NMDPBGMLNPZCQA-YUMQZZPRSA-N -2 0 316.335 0.444 20 0 DCADRL CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001610073756 1171149736 /nfs/dbraw/zinc/14/97/36/1171149736.db2.gz INXCCSDRJVZBHS-UHFFFAOYSA-N -2 0 310.335 0.877 20 0 DCADRL CN(C)c1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cn1 ZINC001610107359 1171159425 /nfs/dbraw/zinc/15/94/25/1171159425.db2.gz DLJIZZQBGPKWLX-UHFFFAOYSA-N -2 0 323.334 0.437 20 0 DCADRL CO[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)CC(=O)[O-] ZINC001610227084 1171201659 /nfs/dbraw/zinc/20/16/59/1171201659.db2.gz HSEKMZVSMSUETM-SECBINFHSA-N -2 0 317.319 0.153 20 0 DCADRL CO[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])C1 ZINC001610237491 1171203842 /nfs/dbraw/zinc/20/38/42/1171203842.db2.gz YRJMSSPAKRZBHX-NXEZZACHSA-N -2 0 321.395 0.748 20 0 DCADRL COCCO[N-]C(=O)C(=O)Nc1cc(C(=O)[O-])c(C)cc1C ZINC001610262321 1171212268 /nfs/dbraw/zinc/21/22/68/1171212268.db2.gz QHZSJAAHGJLZRY-UHFFFAOYSA-N -2 0 310.306 0.634 20 0 DCADRL COc1ccc(Cl)cc1CC(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001610339323 1171221885 /nfs/dbraw/zinc/22/18/85/1171221885.db2.gz VCESKWHHIPKNJY-UHFFFAOYSA-N -2 0 321.738 0.422 20 0 DCADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)[C@@H](C)CO ZINC001610399698 1171230722 /nfs/dbraw/zinc/23/07/22/1171230722.db2.gz UUGSIRSKLFGPCF-IMTBSYHQSA-N -2 0 317.363 0.697 20 0 DCADRL Cc1c[nH]cc1C(=O)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001610429219 1171235032 /nfs/dbraw/zinc/23/50/32/1171235032.db2.gz HAGUEZILLNMIPD-UHFFFAOYSA-N -2 0 315.351 0.094 20 0 DCADRL Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])o1 ZINC001610497744 1171243260 /nfs/dbraw/zinc/24/32/60/1171243260.db2.gz TWHGQQPNJNNKSP-DTWKUNHWSA-N -2 0 303.336 0.686 20 0 DCADRL Cc1ccc(CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])o1 ZINC001610497745 1171243546 /nfs/dbraw/zinc/24/35/46/1171243546.db2.gz TWHGQQPNJNNKSP-IUCAKERBSA-N -2 0 303.336 0.686 20 0 DCADRL Cc1ccc(CCC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])s1 ZINC001610498423 1171243634 /nfs/dbraw/zinc/24/36/34/1171243634.db2.gz HDIVYNOBGNAJNL-MRVPVSSYSA-N -2 0 305.377 0.908 20 0 DCADRL Cc1nc(CC(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c(C)s1 ZINC001610554390 1171252720 /nfs/dbraw/zinc/25/27/20/1171252720.db2.gz CPFITBRBVNQCDE-ZCFIWIBFSA-N -2 0 306.365 0.222 20 0 DCADRL Cc1sc(NC(=O)COC(=O)c2cn[nH]n2)c(C(=O)[O-])c1C ZINC001610592052 1171261727 /nfs/dbraw/zinc/26/17/27/1171261727.db2.gz QTCSOQMQZUULPY-UHFFFAOYSA-N -2 0 324.318 0.977 20 0 DCADRL O=C([O-])c1sccc1NC(=O)CN1CCOC[C@H]1C(=O)[O-] ZINC001610663803 1171285516 /nfs/dbraw/zinc/28/55/16/1171285516.db2.gz IJKCVFIWGDJTRZ-QMMMGPOBSA-N -2 0 314.319 0.170 20 0 DCADRL O=C([O-])c1cnc(S(=O)(=O)CC(=O)NCc2ccccc2)[n-]1 ZINC001610671725 1171287782 /nfs/dbraw/zinc/28/77/82/1171287782.db2.gz MJENAVSBTXXRPK-UHFFFAOYSA-N -2 0 323.330 0.198 20 0 DCADRL O=C([O-])C[C@@H]1CSCCN1C(=O)c1c[n-]n2c1nccc2=O ZINC001610765226 1171316580 /nfs/dbraw/zinc/31/65/80/1171316580.db2.gz OUPXFJNBZYNIBZ-MRVPVSSYSA-N -2 0 322.346 0.055 20 0 DCADRL O=C([O-])c1c[nH]c(=O)c(NS(=O)(=O)c2cncc(F)c2)c1 ZINC001610807770 1171330951 /nfs/dbraw/zinc/33/09/51/1171330951.db2.gz JGLBOEWRBHHLFT-UHFFFAOYSA-N -2 0 313.266 0.820 20 0 DCADRL O=C([O-])c1cnc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)cn1 ZINC001610861171 1171343346 /nfs/dbraw/zinc/34/33/46/1171343346.db2.gz GLGBLAJMUKRGTJ-UHFFFAOYSA-N -2 0 312.241 0.116 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Cl)cn1)[C@H](O)C(=O)[O-] ZINC001225273440 748581865 /nfs/dbraw/zinc/58/18/65/748581865.db2.gz ARRMUDDJXLQGGT-MUWHJKNJSA-N -2 0 303.654 0.177 20 0 DCADRL O=c1[nH]c(=O)c2cc(NCCOP(=O)([O-])[O-])ccc2o1 ZINC001168591573 752663088 /nfs/dbraw/zinc/66/30/88/752663088.db2.gz BVPIFSRUBYPKMG-UHFFFAOYSA-N -2 0 302.179 0.415 20 0 DCADRL CC(C)NC(=O)c1cncc(NCCOP(=O)([O-])[O-])c1 ZINC001168592390 752665319 /nfs/dbraw/zinc/66/53/19/752665319.db2.gz RMTMKZSIMTVZNI-UHFFFAOYSA-N -2 0 303.255 0.741 20 0 DCADRL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2c[n-]ncc2=O)c1 ZINC001137701706 768388275 /nfs/dbraw/zinc/38/82/75/768388275.db2.gz IGPMJCZMROOVNI-UHFFFAOYSA-N -2 0 323.330 0.934 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1ccc2c(c1)NC(=O)CC2 ZINC001149341808 768735850 /nfs/dbraw/zinc/73/58/50/768735850.db2.gz JDMWCYSALKBJRN-UHFFFAOYSA-N -2 0 314.234 0.410 20 0 DCADRL Cc1noc2cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12 ZINC001233667883 769423189 /nfs/dbraw/zinc/42/31/89/769423189.db2.gz NILQSZKWQMAVMX-KRTXAFLBSA-N -2 0 323.257 0.578 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1nc2ccccn2c1F ZINC001154249988 770121912 /nfs/dbraw/zinc/12/19/12/770121912.db2.gz VQCRDICMJNFFFI-UHFFFAOYSA-N -2 0 303.186 0.313 20 0 DCADRL Cn1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(=O)n(C)c1=O ZINC001242163322 770279987 /nfs/dbraw/zinc/27/99/87/770279987.db2.gz UFMJEBUZYBISJA-UHFFFAOYSA-N -2 0 304.258 0.147 20 0 DCADRL COc1ccc2onc(C(=O)NCCOP(=O)([O-])[O-])c2c1 ZINC001156732535 770909675 /nfs/dbraw/zinc/90/96/75/770909675.db2.gz QVKGKUVMHFSBRS-UHFFFAOYSA-N -2 0 316.206 0.676 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1c[nH]c2c(c1=O)CCCC2 ZINC001156899755 770959719 /nfs/dbraw/zinc/95/97/19/770959719.db2.gz AWSFCYVXJFCEMP-UHFFFAOYSA-N -2 0 316.250 0.093 20 0 DCADRL COC(=O)c1cnc(Cl)nc1NCCOP(=O)([O-])[O-] ZINC001157787255 771672011 /nfs/dbraw/zinc/67/20/11/771672011.db2.gz GFHTZJUFQHTDPU-UHFFFAOYSA-N -2 0 311.618 0.438 20 0 DCADRL CCOc1ccc(C(=O)OC)c(NCCOP(=O)([O-])[O-])n1 ZINC001157792202 771672650 /nfs/dbraw/zinc/67/26/50/771672650.db2.gz WUPZVSUKVWNQSS-UHFFFAOYSA-N -2 0 320.238 0.788 20 0 DCADRL O=P([O-])([O-])OCCNC(F)(F)c1nccnc1Cl ZINC001157792248 771673013 /nfs/dbraw/zinc/67/30/13/771673013.db2.gz YXZDDCNYXHQFGQ-UHFFFAOYSA-N -2 0 303.589 0.878 20 0 DCADRL O=P([O-])([O-])OCCNc1cc(N2CCCCC2)ncn1 ZINC001157795425 771673731 /nfs/dbraw/zinc/67/37/31/771673731.db2.gz CMZKKHDBONROTC-UHFFFAOYSA-N -2 0 302.271 0.988 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cc2c(ncnc2Cl)[nH]1 ZINC001151565991 772056797 /nfs/dbraw/zinc/05/67/97/772056797.db2.gz RFXXSOCZGBOEPJ-UHFFFAOYSA-N -2 0 320.629 0.450 20 0 DCADRL O=C(NCc1cccnn1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899746 772564139 /nfs/dbraw/zinc/56/41/39/772564139.db2.gz GXALDUJGTBUFDQ-UHFFFAOYSA-N -2 0 309.218 0.878 20 0 DCADRL O=C(N[C@@H]1CO[N-]C1=O)c1cc(Br)ccc1[S-] ZINC001189969884 772565667 /nfs/dbraw/zinc/56/56/67/772565667.db2.gz PDIDFVMTFPPDSJ-SSDOTTSWSA-N -2 0 317.164 0.898 20 0 DCADRL CCOC(=O)c1nc(C(=O)NCCOP(=O)([O-])[O-])cs1 ZINC001190959934 772699750 /nfs/dbraw/zinc/69/97/50/772699750.db2.gz MYPCZUBVFXFDHQ-UHFFFAOYSA-N -2 0 324.251 0.159 20 0 DCADRL Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001204831968 772964599 /nfs/dbraw/zinc/96/45/99/772964599.db2.gz NADFSIVFBKJALZ-GWCFXTLKSA-N -2 0 324.285 0.257 20 0 DCADRL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC001194277053 773165768 /nfs/dbraw/zinc/16/57/68/773165768.db2.gz RHBZXWDXRUQKIT-UHFFFAOYSA-N -2 0 314.305 0.640 20 0 DCADRL O=P([O-])([O-])OCCNC(=S)NCc1ccc(F)cc1 ZINC001196508509 773605512 /nfs/dbraw/zinc/60/55/12/773605512.db2.gz ROXPULPPHMJGBT-UHFFFAOYSA-N -2 0 308.271 0.899 20 0 DCADRL NC(=O)c1cccnc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198742090 773970116 /nfs/dbraw/zinc/97/01/16/773970116.db2.gz UXTBSNQGVRKHPC-UHFFFAOYSA-N -2 0 321.314 0.680 20 0 DCADRL CCOc1ccccc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225218460 775655916 /nfs/dbraw/zinc/65/59/16/775655916.db2.gz ZLIJZAHIQUPISD-PELKAZGASA-N -2 0 312.274 0.527 20 0 DCADRL CCOc1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225218463 775656017 /nfs/dbraw/zinc/65/60/17/775656017.db2.gz ZLIJZAHIQUPISD-UFBFGSQYSA-N -2 0 312.274 0.527 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cncc(Cl)c1)[C@@H](O)C(=O)[O-] ZINC001225288707 775663439 /nfs/dbraw/zinc/66/34/39/775663439.db2.gz AFKLECXZIYWUEY-IONNQARKSA-N -2 0 303.654 0.177 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(F)c(F)c1)[C@H](O)C(=O)[O-] ZINC001225313877 775664583 /nfs/dbraw/zinc/66/45/83/775664583.db2.gz TWCDSKFGIASZLJ-WKEGUHRASA-N -2 0 304.201 0.407 20 0 DCADRL Cc1cc2c(cccc2OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])[nH]1 ZINC001225466986 775682049 /nfs/dbraw/zinc/68/20/49/775682049.db2.gz JMFPCFSGMUBCHG-NOZJJQNGSA-N -2 0 321.285 0.918 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccccc1[S-])[C@@H](O)C(=O)[O-] ZINC001225588765 775696259 /nfs/dbraw/zinc/69/62/59/775696259.db2.gz WIPWZCPLJUVRNZ-QUBYGPBYSA-N -3 0 300.288 0.417 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1c(F)cccc1Cl)[C@@H](O)C(=O)[O-] ZINC001225860922 775732951 /nfs/dbraw/zinc/73/29/51/775732951.db2.gz SMBYSUKXAADSRI-MLUIRONXSA-N -2 0 320.656 0.921 20 0 DCADRL Cc1cnc(Cl)c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001226359155 775806167 /nfs/dbraw/zinc/80/61/67/775806167.db2.gz CYDUQDKCPOVHMG-IMTBSYHQSA-N -2 0 317.681 0.485 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Cl)ccc1F)[C@H](O)C(=O)[O-] ZINC001226699329 775863502 /nfs/dbraw/zinc/86/35/02/775863502.db2.gz YVTWOKYLUZGFKB-LDWIPMOCSA-N -2 0 320.656 0.921 20 0 DCADRL CC(=O)Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001226853086 775885991 /nfs/dbraw/zinc/88/59/91/775885991.db2.gz YBFBQJBFBSDWGL-DGCLKSJQSA-N -2 0 324.285 0.260 20 0 DCADRL COc1cc(F)cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001226883213 775888983 /nfs/dbraw/zinc/88/89/83/775888983.db2.gz LSQPRYOKPCGMHJ-KOLCDFICSA-N -2 0 316.237 0.276 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Cl)sn1)[C@H](O)C(=O)[O-] ZINC001227374896 775968054 /nfs/dbraw/zinc/96/80/54/775968054.db2.gz YFQYFGFNWLVVNJ-NOWQDGDBSA-N -2 0 309.683 0.238 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2c[nH]nc21)[C@@H](O)C(=O)[O-] ZINC001227986397 776033510 /nfs/dbraw/zinc/03/35/10/776033510.db2.gz ZMPGNASKRSIDOO-RDDDGLTNSA-N -2 0 308.246 0.005 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cc(Cl)ccc1O)[C@H](O)C(=O)[O-] ZINC001229546632 776200911 /nfs/dbraw/zinc/20/09/11/776200911.db2.gz IXVKCDKVWCLMTK-WKEGUHRASA-N -2 0 318.665 0.487 20 0 DCADRL CC(=O)c1cccc(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230317471 776279875 /nfs/dbraw/zinc/27/98/75/776279875.db2.gz NALRJZDWODXMAD-JQWIXIFHSA-N -2 0 324.285 0.639 20 0 DCADRL Cc1c(NC(=O)C(=O)NCCCC(=O)[O-])cccc1C(=O)[O-] ZINC001600029293 1168105100 /nfs/dbraw/zinc/10/51/00/1168105100.db2.gz VFVJVAZTJWEANF-UHFFFAOYSA-N -2 0 308.290 0.613 20 0 DCADRL O=C([O-])CC1(CS(=O)(=O)N2CSC[C@@H]2C(=O)[O-])CC1 ZINC001601921668 1168936174 /nfs/dbraw/zinc/93/61/74/1168936174.db2.gz IUPHLVGEBIXNEY-SSDOTTSWSA-N -2 0 309.365 0.031 20 0 DCADRL O=C([N-]N1CN=NC1=O)c1ccc(C[N-]C(=O)C(F)(F)F)o1 ZINC001412842749 942102175 /nfs/dbraw/zinc/10/21/75/942102175.db2.gz YVRMGIIHLKUGOM-UHFFFAOYSA-N -2 0 319.199 0.139 20 0 DCADRL COc1ccc(Cl)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)C(=O)[O-] ZINC001611046855 970868516 /nfs/dbraw/zinc/86/85/16/970868516.db2.gz NFXDGEKZCIFHFI-ZCFIWIBFSA-N -2 0 321.738 0.874 20 0 DCADRL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001604130238 1169501780 /nfs/dbraw/zinc/50/17/80/1169501780.db2.gz MJTNLCBEBYBJHO-VIFPVBQESA-N -2 0 322.383 0.118 20 0 DCADRL C[C@H](CS(=O)(=O)Oc1ccccc1CC(=O)[O-])C(=O)[O-] ZINC001604211103 1169524743 /nfs/dbraw/zinc/52/47/43/1169524743.db2.gz NVKTZPJOCBRVHE-MRVPVSSYSA-N -2 0 302.304 0.743 20 0 DCADRL COc1ccccc1S(=O)(=O)NCCOP(=O)([O-])[O-] ZINC001259302840 946942219 /nfs/dbraw/zinc/94/22/19/946942219.db2.gz SNYQHDFUEDVCOZ-UHFFFAOYSA-N -2 0 311.252 0.083 20 0 DCADRL O=C([O-])CCC(=O)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260194488 947081304 /nfs/dbraw/zinc/08/13/04/947081304.db2.gz JSMJHNRARHWCEN-UHFFFAOYSA-N -2 0 315.303 0.097 20 0 DCADRL Cn1ncc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001260210304 947084375 /nfs/dbraw/zinc/08/43/75/947084375.db2.gz UYHSPPMGRMZILW-UHFFFAOYSA-N -2 0 300.271 0.453 20 0 DCADRL C[C@H](CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1)c1nnn[n-]1 ZINC001328662622 949014208 /nfs/dbraw/zinc/01/42/08/949014208.db2.gz ZFHYUOCVABWVSA-ZCFIWIBFSA-N -2 0 303.282 0.317 20 0 DCADRL CCN(c1ccccc1C)S(=O)(=O)[N-]C(=O)[C@H](C)C(=O)[O-] ZINC001589739092 950552554 /nfs/dbraw/zinc/55/25/54/950552554.db2.gz CRRVSKHMOFMZBC-JTQLQIEISA-N -2 0 314.363 0.903 20 0 DCADRL O=C([O-])Cn1cccc(C(=O)[N-]OCCCC(F)(F)F)c1=O ZINC001595156310 952168323 /nfs/dbraw/zinc/16/83/23/952168323.db2.gz IRFGNCGOFFVCAI-UHFFFAOYSA-N -2 0 322.239 0.937 20 0 DCADRL O=C([O-])[C@H]1CCCN(C(=O)c2cccc(-c3nc(=O)o[n-]3)c2)C1 ZINC001595196983 952303531 /nfs/dbraw/zinc/30/35/31/952303531.db2.gz UTXJCMUYCYRBDG-NSHDSACASA-N -2 0 317.301 0.967 20 0 DCADRL C[C@@H](CC(C)(C)O)NS(=O)(=O)c1scnc1C(=O)[O-] ZINC000384908957 971966588 /nfs/dbraw/zinc/96/65/88/971966588.db2.gz YDUTVCSINZKUJN-LURJTMIESA-N -2 0 308.381 0.669 20 0 DCADRL CN(CC(=O)NCC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC001593719098 954240205 /nfs/dbraw/zinc/24/02/05/954240205.db2.gz MXOWKKGVRGUXOK-UHFFFAOYSA-N -2 0 310.335 0.030 20 0 DCADRL O=C([O-])C=Cc1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)co1 ZINC001594969484 955091546 /nfs/dbraw/zinc/09/15/46/955091546.db2.gz ZEQZHXCKRNSARS-OWOJBTEDSA-N -2 0 305.246 0.509 20 0 DCADRL CC[C@@H](CNC(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)C(=O)[O-] ZINC001589545698 955198276 /nfs/dbraw/zinc/19/82/76/955198276.db2.gz BZDRRCDIOOKZFU-QMMMGPOBSA-N -2 0 320.305 0.107 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC001593910780 955962155 /nfs/dbraw/zinc/96/21/55/955962155.db2.gz ABTUIMGBDRXEKV-SECBINFHSA-N -2 0 323.273 0.178 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC001593912198 955976716 /nfs/dbraw/zinc/97/67/16/955976716.db2.gz ZPDDXJCWCPEPMZ-RXMQYKEDSA-N -2 0 313.740 0.306 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001593923484 956104392 /nfs/dbraw/zinc/10/43/92/956104392.db2.gz XEMXFTREXOVTQC-NXEZZACHSA-N -2 0 320.305 0.010 20 0 DCADRL CC1(C)CC[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001589225003 956786438 /nfs/dbraw/zinc/78/64/38/956786438.db2.gz RRRVHMXJNSOIHA-ZCFIWIBFSA-N -2 0 302.308 0.614 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)Cc2ccco2)on1 ZINC001594711281 956883194 /nfs/dbraw/zinc/88/31/94/956883194.db2.gz OAOFNWMXGUHUQT-UHFFFAOYSA-N -2 0 300.248 0.013 20 0 DCADRL O=C(c1ccc(Cl)c([O-])c1)N1CCO[C@H](c2nnn[n-]2)C1 ZINC001362120998 958772781 /nfs/dbraw/zinc/77/27/81/958772781.db2.gz CESBDJUJPWEMDQ-JTQLQIEISA-N -2 0 309.713 0.772 20 0 DCADRL C[C@](O)(C[N-]S(=O)(=O)c1onc(C2CC2)c1Cl)C(=O)[O-] ZINC001573635729 959590994 /nfs/dbraw/zinc/59/09/94/959590994.db2.gz MKBKZRLKVJBMMM-JTQLQIEISA-N -2 0 324.742 0.319 20 0 DCADRL CCC[C@@H](CCO)CNS(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000227413073 959947920 /nfs/dbraw/zinc/94/79/20/959947920.db2.gz NYBFAOFATJSUCC-QMMMGPOBSA-N -2 0 305.356 0.185 20 0 DCADRL O=C([O-])Cc1ccccc1NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001574371146 961070861 /nfs/dbraw/zinc/07/08/61/961070861.db2.gz NFHMVVLJVSNKHN-UHFFFAOYSA-N -2 0 320.305 0.735 20 0 DCADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001571139850 961653680 /nfs/dbraw/zinc/65/36/80/961653680.db2.gz ONBGIQUGHVZBFS-AWEZNQCLSA-N -2 0 318.337 0.448 20 0 DCADRL O=C([O-])[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)C1 ZINC001571159005 961901926 /nfs/dbraw/zinc/90/19/26/961901926.db2.gz WMIHTVIQEDMHCJ-UTLUCORTSA-N -2 0 323.353 0.653 20 0 DCADRL O=C([O-])[C@H](CC1OCCO1)NC(=O)c1s[n-]c(=O)c1Cl ZINC001571160435 961921867 /nfs/dbraw/zinc/92/18/67/961921867.db2.gz XMGOFBWYIGYIQV-BYPYZUCNSA-N -2 0 322.726 0.448 20 0 DCADRL CC(C)COCCC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001588875794 962119712 /nfs/dbraw/zinc/11/97/12/962119712.db2.gz WXMROFMBFOKNJH-UHFFFAOYSA-N -2 0 320.323 0.240 20 0 DCADRL CN1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315891690 963948437 /nfs/dbraw/zinc/94/84/37/963948437.db2.gz BYVZHIGOMOWOAY-QMMMGPOBSA-N -2 0 303.340 0.135 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)c2ccsc2)on1 ZINC000316217352 963992153 /nfs/dbraw/zinc/99/21/53/963992153.db2.gz NXQCCMVFHARRAE-QMMMGPOBSA-N -2 0 318.332 0.446 20 0 DCADRL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)o1 ZINC001605252817 973015926 /nfs/dbraw/zinc/01/59/26/973015926.db2.gz IMJMCKOXQAFDNK-UHFFFAOYSA-N -2 0 300.248 0.393 20 0 DCADRL COC(=O)c1cccc2[nH]c(NC(=O)[C@](C)(OC)C(=O)[O-])nc21 ZINC001604401971 973139595 /nfs/dbraw/zinc/13/95/95/973139595.db2.gz RRZUQBHMZXWCLT-AWEZNQCLSA-N -2 0 321.289 0.778 20 0 DCADRL CCOCCO[N-]C(=O)Cc1[nH]c(C(C)=O)c(C)c1C(=O)[O-] ZINC001605639757 1169980617 /nfs/dbraw/zinc/98/06/17/1169980617.db2.gz 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ZINC001229078651 776155237 /nfs/dbraw/zinc/15/52/37/776155237.db2.gz VXHVRWCBHSGFGV-PRHODGIISA-N -2 0 323.257 0.578 20 0 DCADRL Cn1ccc2cc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc21 ZINC001229119980 776161141 /nfs/dbraw/zinc/16/11/41/776161141.db2.gz OMZUSJYMXVXBDU-MFKMUULPSA-N -2 0 321.285 0.620 20 0 DCADRL Cc1cc([S-])ccc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001229638833 776207092 /nfs/dbraw/zinc/20/70/92/776207092.db2.gz XBZZGMLKTNSXFK-MRVPVSSYSA-N -3 0 308.248 0.659 20 0 DCADRL Cc1cc2n[nH]cc2cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230224988 776266904 /nfs/dbraw/zinc/26/69/04/776266904.db2.gz FCKMNDQYZNJDGC-PELKAZGASA-N -2 0 322.273 0.313 20 0 DCADRL Cc1cc(F)c(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230444181 776309204 /nfs/dbraw/zinc/30/92/04/776309204.db2.gz QZYVUJDMOHOSOJ-UPONEAKYSA-N -2 0 318.228 0.715 20 0 DCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CCC(=O)[O-] ZINC001600836256 1168480673 /nfs/dbraw/zinc/48/06/73/1168480673.db2.gz 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IVTCWPFMNNAACU-UHFFFAOYSA-N -2 0 309.303 0.984 20 0 DCADRL O=C([O-])c1ncccc1S(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC001595273316 949867033 /nfs/dbraw/zinc/86/70/33/949867033.db2.gz LZOIBUNXABMWFU-UHFFFAOYSA-N -2 0 314.319 0.456 20 0 DCADRL O=C([O-])C[C@@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001594993291 951056117 /nfs/dbraw/zinc/05/61/17/951056117.db2.gz YKJBQDBJFHDZLW-VIFPVBQESA-N -2 0 304.306 0.350 20 0 DCADRL O=C([O-])CN1CC[C@H](OC(=O)c2cc(F)c([O-])c(F)c2)C1=O ZINC001595082750 951701958 /nfs/dbraw/zinc/70/19/58/951701958.db2.gz VPIXIWKIMNOGOW-VIFPVBQESA-N -2 0 315.228 0.513 20 0 DCADRL O=C([O-])COc1ccc(C(=O)NC2(c3nnn[n-]3)CCC2)cc1 ZINC001595117963 951952327 /nfs/dbraw/zinc/95/23/27/951952327.db2.gz MERRZCAZYODBLO-UHFFFAOYSA-N -2 0 317.305 0.472 20 0 DCADRL O=C(c1cccc(F)c1[O-])N1CCC(O)(c2nnn[n-]2)CC1 ZINC001412056187 952625214 /nfs/dbraw/zinc/62/52/14/952625214.db2.gz JGGVYXBDBGGURI-UHFFFAOYSA-N -2 0 307.285 0.168 20 0 DCADRL C[C@H]1CCN(c2nnc(-c3cc(=O)n(C)[n-]3)n2C)C[C@@H]1C(=O)[O-] 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ZINC001595416453 981032887 /nfs/dbraw/zinc/03/28/87/981032887.db2.gz VAZFNSGNNJVQII-JGVFFNPUSA-N -2 0 317.319 0.994 20 0 DCADRL CC[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001595416452 981032939 /nfs/dbraw/zinc/03/29/39/981032939.db2.gz VAZFNSGNNJVQII-HTQZYQBOSA-N -2 0 317.319 0.994 20 0 DCADRL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001594769644 981731953 /nfs/dbraw/zinc/73/19/53/981731953.db2.gz AMVAWZLWNHXAIZ-ZETCQYMHSA-N -2 0 305.308 0.770 20 0 DCADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001594770910 981743840 /nfs/dbraw/zinc/74/38/40/981743840.db2.gz ZCEWCGUVPSUQLS-BBBLOLIVSA-N -2 0 307.368 0.755 20 0 DCADRL CCC(C)(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC001594801505 981897831 /nfs/dbraw/zinc/89/78/31/981897831.db2.gz NDILOKMGCKIVMG-DTWKUNHWSA-N -2 0 307.368 0.501 20 0 DCADRL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(=O)OC ZINC001595641182 981966799 /nfs/dbraw/zinc/96/67/99/981966799.db2.gz 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DCADRL COCc1cccc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000274945533 186446901 /nfs/dbraw/zinc/44/69/01/186446901.db2.gz RSGMVIJJPIZDOP-SNVBAGLBSA-N -2 0 317.319 0.039 20 0 DCADRL Cc1csc(S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000567851760 291384936 /nfs/dbraw/zinc/38/49/36/291384936.db2.gz CCRILRIVSSHVMH-LLVKDONJSA-N -2 0 321.376 0.900 20 0 DCADRL Cc1ccccc1S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000088715245 395708029 /nfs/dbraw/zinc/70/80/29/395708029.db2.gz LRDZNGYNLCZNLF-VIFPVBQESA-N -2 0 301.320 0.591 20 0 DCADRL COCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000052785782 395869927 /nfs/dbraw/zinc/86/99/27/395869927.db2.gz NCVPLEAHNCVREC-SECBINFHSA-N -2 0 309.290 0.733 20 0 DCADRL COC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000070141612 396099593 /nfs/dbraw/zinc/09/95/93/396099593.db2.gz ILBYFPYIFXMIQG-QMMMGPOBSA-N -2 0 323.273 0.259 20 0 DCADRL COC(=O)c1ncsc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1 ZINC000571994725 397009170 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317.363 0.579 20 0 DCADRL O=C([O-])[C@H]1CSCN1S(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001601813077 1168903261 /nfs/dbraw/zinc/90/32/61/1168903261.db2.gz XBSFAHMDCIAFQY-HLTSFMKQSA-N -2 0 323.392 0.419 20 0 DCADRL O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001601953835 1168945975 /nfs/dbraw/zinc/94/59/75/1168945975.db2.gz KGUSARATRNUUID-ZETCQYMHSA-N -2 0 303.292 0.606 20 0 DCADRL O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cn1 ZINC001602399035 1169071613 /nfs/dbraw/zinc/07/16/13/1169071613.db2.gz XHVRTGRCGIXHMM-HTQZYQBOSA-N -2 0 312.303 0.087 20 0 DCADRL O=C([O-])c1coc(S(=O)(=O)N[C@@H](CC2CCC2)C(=O)[O-])c1 ZINC001602557499 1169116280 /nfs/dbraw/zinc/11/62/80/1169116280.db2.gz YDMJGMPDUCCMEY-VIFPVBQESA-N -2 0 317.319 0.900 20 0 DCADRL CC(C)(CS(=O)(=O)N[C@H](C(=O)[O-])c1cccs1)C(=O)[O-] ZINC001603659853 1169345828 /nfs/dbraw/zinc/34/58/28/1169345828.db2.gz IFIVPINNSKRFRH-QMMMGPOBSA-N -2 0 321.376 0.904 20 0 DCADRL C[C@@H](CS(=O)(=O)N1Cc2ccc(C(=O)[O-])cc2C1)C(=O)[O-] ZINC001604208786 1169525101 /nfs/dbraw/zinc/52/51/01/1169525101.db2.gz CKZFVORPCLWULT-QMMMGPOBSA-N -2 0 313.331 0.751 20 0 DCADRL CC(=O)c1ccc(S(=O)(=O)NCCOP(=O)([O-])[O-])cc1 ZINC001259180238 946924682 /nfs/dbraw/zinc/92/46/82/946924682.db2.gz LVNWBSMHLSCQRK-UHFFFAOYSA-N -2 0 323.263 0.277 20 0 DCADRL CCS(=O)(=O)c1ccc([O-])c([N-]S(=O)(=O)CCOC)c1 ZINC001259965199 947040470 /nfs/dbraw/zinc/04/04/70/947040470.db2.gz BQCHFXWGSPCTEP-UHFFFAOYSA-N -2 0 323.392 0.574 20 0 DCADRL Cc1ccccc1CS(=O)(=O)NCCOP(=O)([O-])[O-] ZINC001260024445 947053080 /nfs/dbraw/zinc/05/30/80/947053080.db2.gz LGPUZXHUOJMLHN-UHFFFAOYSA-N -2 0 309.280 0.524 20 0 DCADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccn3cnnc23)c1 ZINC001260183548 947079779 /nfs/dbraw/zinc/07/97/79/947079779.db2.gz SVYNKJVJMYODMO-UHFFFAOYSA-N -2 0 319.302 0.623 20 0 DCADRL Cc1ncc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)n1C ZINC001260394230 947098850 /nfs/dbraw/zinc/09/88/50/947098850.db2.gz WFRLILCXNJAOSN-UHFFFAOYSA-N -2 0 311.319 0.933 20 0 DCADRL O=C(COc1ccc(CO)cc1)NCCCC[P@@](=O)([O-])O ZINC001179664291 947891012 /nfs/dbraw/zinc/89/10/12/947891012.db2.gz ZZKPZZMKIHWCFZ-UHFFFAOYSA-N -2 0 317.278 0.632 20 0 DCADRL O=C([O-])c1cccc(CS(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001595248310 949520077 /nfs/dbraw/zinc/52/00/77/949520077.db2.gz MKNHAEUDSVFPHM-LLVKDONJSA-N -2 0 313.331 0.764 20 0 DCADRL O=C([O-])Cc1cccc(NC(=O)C(=O)[N-]OC2CCOCC2)c1 ZINC001595130852 952033550 /nfs/dbraw/zinc/03/35/50/952033550.db2.gz UPUZRGZEYMXWIC-UHFFFAOYSA-N -2 0 322.317 0.479 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)c2sccc2F)on1 ZINC001595214827 952371756 /nfs/dbraw/zinc/37/17/56/952371756.db2.gz WYIBLTOHSBQGIS-UHFFFAOYSA-N -2 0 320.279 0.692 20 0 DCADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1c[n-]n2c1nccc2=O ZINC001589304985 953730689 /nfs/dbraw/zinc/73/06/89/953730689.db2.gz LSSMYXKZMSIGLL-IUCAKERBSA-N -2 0 304.306 0.348 20 0 DCADRL CC[C@H](CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1)C(=O)[O-] ZINC001589547226 955205509 /nfs/dbraw/zinc/20/55/09/955205509.db2.gz ZMLXICRVMUVXFB-MRVPVSSYSA-N -2 0 315.351 0.294 20 0 DCADRL C[C@H](CN(C)C(=O)C1(C(=O)[O-])CCSCC1)c1nnn[n-]1 ZINC001589022133 955480542 /nfs/dbraw/zinc/48/05/42/955480542.db2.gz LFMOVWSHRRUWHS-MRVPVSSYSA-N -2 0 313.383 0.360 20 0 DCADRL CO[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001593937720 956235683 /nfs/dbraw/zinc/23/56/83/956235683.db2.gz FJKMUXQCYAAPRB-SECBINFHSA-N -2 0 315.347 0.408 20 0 DCADRL Cc1cc(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)ns1 ZINC001594280972 957741636 /nfs/dbraw/zinc/74/16/36/957741636.db2.gz CJIIBXIBXFEMLS-UHFFFAOYSA-N -2 0 317.304 0.256 20 0 DCADRL Cc1cc(C)nc(-n2[n-]c(C(=O)NC[C@H](C)C(=O)[O-])cc2=O)n1 ZINC001594305912 957967075 /nfs/dbraw/zinc/96/70/75/957967075.db2.gz MHBTUAPTAPYCPO-ZETCQYMHSA-N -2 0 319.321 0.023 20 0 DCADRL Cc1ccc(-n2[n-]c(C(=O)N3CC(C(=O)[O-])C3)cc2=O)cc1 ZINC001594337105 958272480 /nfs/dbraw/zinc/27/24/80/958272480.db2.gz PTMJQOKPAPESPO-UHFFFAOYSA-N -2 0 301.302 0.631 20 0 DCADRL O=C([O-])c1ncsc1S(=O)(=O)NCC1(O)CCCCC1 ZINC000134717949 958857224 /nfs/dbraw/zinc/85/72/24/958857224.db2.gz VBKOZDDHNXSTDG-UHFFFAOYSA-N -2 0 320.392 0.815 20 0 DCADRL CC(=O)c1ccc([O-])c(NC(=O)c2cn(CC(=O)[O-])nn2)c1 ZINC001588531705 958903512 /nfs/dbraw/zinc/90/35/12/958903512.db2.gz OFYOKEOVPIYUQZ-UHFFFAOYSA-N -2 0 304.262 0.523 20 0 DCADRL C[C@@H](C(=O)[O-])N(C(=O)c1cccc(-n2[n-]nnc2=N)c1)C1CC1 ZINC001588589113 959331639 /nfs/dbraw/zinc/33/16/39/959331639.db2.gz FUIRTOAYKWOTLF-QMMMGPOBSA-N -2 0 316.321 0.153 20 0 DCADRL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001594224630 959410932 /nfs/dbraw/zinc/41/09/32/959410932.db2.gz JSOJLOZKJWQGRU-YACGNSKGSA-N -2 0 301.306 0.516 20 0 DCADRL CC(C)(C)/C=C/C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001588642886 959708629 /nfs/dbraw/zinc/70/86/29/959708629.db2.gz QCCMXPZSFOLYCG-SNAWJCMRSA-N -2 0 302.308 0.780 20 0 DCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(OCC(F)(F)F)o1 ZINC001362796207 959999730 /nfs/dbraw/zinc/99/97/30/959999730.db2.gz PKWAEKNPTMAATR-UHFFFAOYSA-N -2 0 308.172 0.607 20 0 DCADRL C[C@@H]1CN(C(=O)CSc2n[nH]c(=O)[n-]2)C[C@H]1CC(=O)[O-] ZINC001571072305 960917627 /nfs/dbraw/zinc/91/76/27/960917627.db2.gz RTSGQZNPOUTCDJ-RNFRBKRXSA-N -2 0 300.340 0.172 20 0 DCADRL O=C([O-])[C@@H](Cc1ccc(F)cc1)NC(=O)c1cc(=O)[nH]cn1 ZINC001571085264 961048114 /nfs/dbraw/zinc/04/81/14/961048114.db2.gz YDXAADZSLQTPGI-LLVKDONJSA-N -2 0 305.265 0.747 20 0 DCADRL O=C(c1cc(F)c([O-])c(F)c1)N1CCOC[C@H]1c1nnn[n-]1 ZINC001363408260 961093678 /nfs/dbraw/zinc/09/36/78/961093678.db2.gz LZPAEXCOTPQFRP-VIFPVBQESA-N -2 0 311.248 0.397 20 0 DCADRL O=C([O-])c1ccc(CNS(=O)(=O)c2ccccc2[O-])cn1 ZINC001571097912 961194446 /nfs/dbraw/zinc/19/44/46/961194446.db2.gz HJANOWZFWOTCIJ-UHFFFAOYSA-N -2 0 308.315 0.964 20 0 DCADRL O=C([O-])C(F)(F)C[N-]S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001571118829 961417224 /nfs/dbraw/zinc/41/72/24/961417224.db2.gz IRBIIEVYHJRNQA-IUCAKERBSA-N -2 0 313.322 0.583 20 0 DCADRL CC(C)Cn1[n-]c(CC(=O)N(CC(=O)[O-])CC2CC2)cc1=O ZINC001588906817 962288542 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O=C([O-])C1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CC=CC1 ZINC001605917670 972803644 /nfs/dbraw/zinc/80/36/44/972803644.db2.gz VTOCFSCALXRJFL-NSHDSACASA-N -2 0 313.317 0.826 20 0 DCADRL C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC001603380701 972951484 /nfs/dbraw/zinc/95/14/84/972951484.db2.gz IJDUZYXGODYACI-RQJHMYQMSA-N -2 0 302.308 0.614 20 0 DCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(C(=O)[O-])cn2)cn1 ZINC001605306373 973120795 /nfs/dbraw/zinc/12/07/95/973120795.db2.gz JFJTYDUFXPALGE-UHFFFAOYSA-N -2 0 321.314 0.602 20 0 DCADRL CO[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC001604435341 973235017 /nfs/dbraw/zinc/23/50/17/973235017.db2.gz URODJHSSJVYEOS-VIFPVBQESA-N -2 0 305.283 0.039 20 0 DCADRL CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC001604435286 973235066 /nfs/dbraw/zinc/23/50/66/973235066.db2.gz UDJUQPVWRLIIAT-SECBINFHSA-N -2 0 321.738 0.386 20 0 DCADRL CO[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC001604435745 973237412 /nfs/dbraw/zinc/23/74/12/973237412.db2.gz YJHPBXRZVGMXRC-QMMMGPOBSA-N -2 0 307.711 0.245 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CC23CCC3)on1 ZINC001606466187 973939512 /nfs/dbraw/zinc/93/95/12/973939512.db2.gz VPOBOQSPLVRVTH-LURJTMIESA-N -2 0 300.292 0.368 20 0 DCADRL CCO[N-]C(=O)CNC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001605648456 1169981229 /nfs/dbraw/zinc/98/12/29/1169981229.db2.gz UUVJEGVPLATSAE-JTQLQIEISA-N -2 0 301.343 0.341 20 0 DCADRL CC(C)[C@@H](NS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)[O-] ZINC001591844733 976121116 /nfs/dbraw/zinc/12/11/16/976121116.db2.gz HTRJDXXOJMCSAG-SECBINFHSA-N -2 0 302.308 0.167 20 0 DCADRL CC(C)[C@H](NC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)C(=O)[O-] ZINC001591859659 976158723 /nfs/dbraw/zinc/15/87/23/976158723.db2.gz ZQPMXRRCXQAEDH-QMMMGPOBSA-N -2 0 314.319 0.610 20 0 DCADRL C[C@H](/C=C/C(=O)[O-])NC(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC001592206528 977244366 /nfs/dbraw/zinc/24/43/66/977244366.db2.gz TZSHVOFZUNHKDV-HQZHTGGTSA-N -2 0 303.274 0.789 20 0 DCADRL C[C@H](CCC(=O)[O-])NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001592470273 978219567 /nfs/dbraw/zinc/21/95/67/978219567.db2.gz IXRJJGHOPSXFLL-ZCFIWIBFSA-N -2 0 307.349 0.978 20 0 DCADRL CC[C@H](C)n1ncc(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])c1C ZINC001595024660 979129883 /nfs/dbraw/zinc/12/98/83/979129883.db2.gz YYRDSBMKIYSXCR-CBAPKCEASA-N -2 0 317.367 0.695 20 0 DCADRL CC[C@H](CNS(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])C(=O)[O-] ZINC001595167803 979724362 /nfs/dbraw/zinc/72/43/62/979724362.db2.gz CDDBUBBVWPCZGJ-UTLUCORTSA-N -2 0 307.368 0.660 20 0 DCADRL CC[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001595171483 979737178 /nfs/dbraw/zinc/73/71/78/979737178.db2.gz LKHALYJRUUNUDC-SSDOTTSWSA-N -2 0 319.310 0.913 20 0 DCADRL CCC(O)(CC)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001595323840 980527934 /nfs/dbraw/zinc/52/79/34/980527934.db2.gz YLQVRNBCBHMDDQ-UHFFFAOYSA-N -2 0 306.340 0.592 20 0 DCADRL CC[C@H](C)[C@@H](NC(=O)CN1CCC[C@]1(C)C(=O)[O-])C(=O)[O-] ZINC001594889479 982281114 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O=C([O-])Cc1cccc(NC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC001595130912 952034287 /nfs/dbraw/zinc/03/42/87/952034287.db2.gz XTQHJKWLKTWJFY-NSHDSACASA-N -2 0 322.317 0.337 20 0 DCADRL CCCONC(=O)C12C3C4C1C1C2C3C41C(=O)NOCCC ZINC001339049737 953069784 /nfs/dbraw/zinc/06/97/84/953069784.db2.gz KMBBGXXHKTYTMR-UHFFFAOYSA-N -2 0 306.362 0.640 20 0 DCADRL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])nc1)C(=O)[O-] ZINC001593614734 953493433 /nfs/dbraw/zinc/49/34/33/953493433.db2.gz DZMAULAFPPHSQX-XVKPBYJWSA-N -2 0 316.335 0.557 20 0 DCADRL O=C([O-])C1(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)CCCCC1 ZINC001594850916 954185749 /nfs/dbraw/zinc/18/57/49/954185749.db2.gz STTSRRIBQBMVSD-JTQLQIEISA-N -2 0 307.354 0.941 20 0 DCADRL CC(C)[C@@]1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001602993700 972031799 /nfs/dbraw/zinc/03/17/99/972031799.db2.gz PYWZIIJBRXBYND-JMCQJSRRSA-N -2 0 316.335 0.860 20 0 DCADRL Cn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)nc1Cl ZINC001594549823 955716943 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O=C([O-])c1cnc([C@@H]2CCN(C(=O)CCc3nnn[n-]3)C2)s1 ZINC001571153146 961817365 /nfs/dbraw/zinc/81/73/65/961817365.db2.gz KFCVGBGVKFJXBP-SSDOTTSWSA-N -2 0 322.350 0.303 20 0 DCADRL CO[C@@](C)(C(=O)[O-])C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC001574103749 962412540 /nfs/dbraw/zinc/41/25/40/962412540.db2.gz CFNNVRAXDRDYFF-ISVAXAHUSA-N -2 0 320.342 0.437 20 0 DCADRL COC[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)c1nnn[n-]1 ZINC001574129496 962515654 /nfs/dbraw/zinc/51/56/54/962515654.db2.gz AALVEYAAAYETQP-JTQLQIEISA-N -2 0 305.294 0.324 20 0 DCADRL N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC000315177553 963863571 /nfs/dbraw/zinc/86/35/71/963863571.db2.gz SYFZNGKXHFNYPF-UHFFFAOYSA-N -2 0 304.287 0.847 20 0 DCADRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3[nH]2)cn1 ZINC000315575867 963915581 /nfs/dbraw/zinc/91/55/81/963915581.db2.gz OYSMKBZCWVUZCN-UHFFFAOYSA-N -2 0 321.318 0.645 20 0 DCADRL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)N1CCCCC1 ZINC000316004273 963963402 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CO[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC001604433158 973226057 /nfs/dbraw/zinc/22/60/57/973226057.db2.gz DENLLGAGXYAWII-SECBINFHSA-N -2 0 321.738 0.553 20 0 DCADRL COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@H](C(=O)[O-])C1CC1 ZINC001604473256 973364643 /nfs/dbraw/zinc/36/46/43/973364643.db2.gz UJUIHXPQILCQBF-SECBINFHSA-N -2 0 307.368 0.358 20 0 DCADRL Cc1nc(S(=O)(=O)[N-]C(=O)CCCC(=O)[O-])sc1C ZINC001605413655 973418397 /nfs/dbraw/zinc/41/83/97/973418397.db2.gz ORXLJQHWCWHAQR-UHFFFAOYSA-N -2 0 306.365 0.820 20 0 DCADRL CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCC1 ZINC001603592709 973791441 /nfs/dbraw/zinc/79/14/41/973791441.db2.gz LNAZZAWNPSQZEV-UHFFFAOYSA-N -2 0 302.308 0.758 20 0 DCADRL O=C([O-])c1c([N-]S(=O)(=O)CCCCF)nc2n1CCOC2 ZINC001606459454 973911248 /nfs/dbraw/zinc/91/12/48/973911248.db2.gz HJWZSILDNLFBDQ-UHFFFAOYSA-N -2 0 321.330 0.603 20 0 DCADRL O=C([O-])c1ccc(C(=O)N2C[C@@H]3COC[C@@]3(C(=O)[O-])C2)cc1 ZINC001549229523 1014185163 /nfs/dbraw/zinc/18/51/63/1014185163.db2.gz OULQSXVWLFPVHI-ABAIWWIYSA-N -2 0 305.286 0.558 20 0 DCADRL CC(C)OC1(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CCC1 ZINC001591692904 975506957 /nfs/dbraw/zinc/50/69/57/975506957.db2.gz LGMUONCDVOGEDN-VHSXEESVSA-N -2 0 321.395 0.889 20 0 DCADRL CC(C)Oc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])cn1 ZINC001591762266 975858548 /nfs/dbraw/zinc/85/85/48/975858548.db2.gz YBZFTNYIQQKZEP-MRVPVSSYSA-N -2 0 316.335 0.402 20 0 DCADRL O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000703044747 977148178 /nfs/dbraw/zinc/14/81/78/977148178.db2.gz MFBWNTFOUDXZHU-WCBMZHEXSA-N -2 0 323.729 1.000 20 0 DCADRL C[C@H](C[C@H]1CCCN(S(=O)(=O)C[C@H](C)C(=O)[O-])C1)C(=O)[O-] ZINC001592464310 978196555 /nfs/dbraw/zinc/19/65/55/978196555.db2.gz OESVAQXEQUOAGO-OUAUKWLOSA-N -2 0 321.395 0.860 20 0 DCADRL C[C@](CO)(NC(=O)c1ncc(Br)cc1[O-])C(=O)[O-] ZINC001592750611 979314511 /nfs/dbraw/zinc/31/45/11/979314511.db2.gz TVQXYIVXWCYHFO-SNVBAGLBSA-N -2 0 319.111 0.115 20 0 DCADRL C[C@H](CS(=O)(=O)N1CC[C@@H](CCC(=O)[O-])[C@@H](C)C1)C(=O)[O-] ZINC001592798525 979447741 /nfs/dbraw/zinc/44/77/41/979447741.db2.gz PULLSCJWVLMIKJ-HBNTYKKESA-N -2 0 321.395 0.860 20 0 DCADRL C[C@H](Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(=O)[O-])cc1)C(=O)[O-] ZINC001592859073 979680287 /nfs/dbraw/zinc/68/02/87/979680287.db2.gz YVBUIVGXSWIVQR-BDAKNGLRSA-N -2 0 322.317 0.478 20 0 DCADRL C[C@@H](NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)c1nn(C)cc1[O-] ZINC001593019918 980275426 /nfs/dbraw/zinc/27/54/26/980275426.db2.gz MOJCFEKNYQQZKP-KXUCPTDWSA-N -2 0 311.338 0.573 20 0 DCADRL CC[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])c(F)c1)C(=O)[O-] ZINC001595312677 980474881 /nfs/dbraw/zinc/47/48/81/980474881.db2.gz HIMJBOLBGBXLNL-JTQLQIEISA-N -2 0 319.310 0.594 20 0 DCADRL CCC(C)(C)NC(=O)[C@@H](C)S(=O)(=O)c1ncc(C(=O)[O-])[n-]1 ZINC001594804360 981901517 /nfs/dbraw/zinc/90/15/17/981901517.db2.gz CEWSAKFIRAPEJM-SSDOTTSWSA-N -2 0 317.367 0.575 20 0 DCADRL CCCCC[C@@H](NC(=O)CSc1n[nH]c(=O)[n-]1)C(=O)[O-] ZINC001595672001 982128374 /nfs/dbraw/zinc/12/83/74/982128374.db2.gz BFKBIUKFMSROTK-SSDOTTSWSA-N -2 0 302.356 0.752 20 0 DCADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001594977619 982757577 /nfs/dbraw/zinc/75/75/77/982757577.db2.gz ZULIVDTZHWEANY-SECBINFHSA-N -2 0 318.337 0.400 20 0 DCADRL CCCO[N-]C(=O)C(=O)Nc1ccc(C(=O)OC)c(C(=O)[O-])c1 ZINC001595947042 983111496 /nfs/dbraw/zinc/11/14/96/983111496.db2.gz AHVLUPWAEFYHBI-UHFFFAOYSA-N -2 0 324.289 0.568 20 0 DCADRL CCN(C)S(=O)(=O)[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001596194644 983577831 /nfs/dbraw/zinc/57/78/31/983577831.db2.gz RRPIQZKTFOLTML-UHFFFAOYSA-N -2 0 314.363 0.630 20 0 DCADRL CCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001596227195 983618149 /nfs/dbraw/zinc/61/81/49/983618149.db2.gz BIDUQORCFCZICG-UHFFFAOYSA-N -2 0 305.283 0.619 20 0 DCADRL C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1csnc1C(=O)[O-] ZINC001599906880 984934264 /nfs/dbraw/zinc/93/42/64/984934264.db2.gz QZHFSPFUEGNGOY-WDSKDSINSA-N -2 0 320.348 0.468 20 0 DCADRL CCOC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1[O-] ZINC001596883717 985759326 /nfs/dbraw/zinc/75/93/26/985759326.db2.gz BRSKFIFPYMYJSZ-SECBINFHSA-N -2 0 303.336 0.502 20 0 DCADRL CCOc1ccc(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC001597082395 986635614 /nfs/dbraw/zinc/63/56/14/986635614.db2.gz MAAZNGFKEUPQOM-UHFFFAOYSA-N -2 0 301.320 0.158 20 0 DCADRL C[C@H]([C@@H](C)C(=O)[O-])S(=O)(=O)[N-]C(=O)C(C1CC1)C1CC1 ZINC001589451499 986845385 /nfs/dbraw/zinc/84/53/85/986845385.db2.gz IQCWSRKXORFDIC-HTQZYQBOSA-N -2 0 303.380 0.978 20 0 DCADRL C[C@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)Cn1cc(Cl)cn1 ZINC001589454915 986887623 /nfs/dbraw/zinc/88/76/23/986887623.db2.gz YGCNISXTKZJYQC-BQBZGAKWSA-N -2 0 323.758 0.092 20 0 DCADRL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001594657014 986914114 /nfs/dbraw/zinc/91/41/14/986914114.db2.gz FYYJZCPJDFNFAP-IYSWYEEDSA-N -2 0 321.332 0.515 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1noc2c1CCCC2 ZINC001589491607 987059823 /nfs/dbraw/zinc/05/98/23/987059823.db2.gz MPSHWDBTJTUSDD-ZCFIWIBFSA-N -2 0 302.308 0.086 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)COCc1ccccc1 ZINC001589491895 987061805 /nfs/dbraw/zinc/06/18/05/987061805.db2.gz PLLCUEOYGPKYPF-SECBINFHSA-N -2 0 301.320 0.122 20 0 DCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001589494054 987071079 /nfs/dbraw/zinc/07/10/79/987071079.db2.gz IFUFPSUWEYAADQ-LDWIPMOCSA-N -2 0 301.295 0.385 20 0 DCADRL CC[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1OC)C(=O)[O-] ZINC001597285370 987359044 /nfs/dbraw/zinc/35/90/44/987359044.db2.gz MDAFRJRJPBHEAQ-MRVPVSSYSA-N -2 0 324.289 0.311 20 0 DCADRL CC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001597329173 987464083 /nfs/dbraw/zinc/46/40/83/987464083.db2.gz VVQVBCJBWAOYEA-VIFPVBQESA-N -2 0 312.253 0.442 20 0 DCADRL CC(C)(C(=O)[O-])n1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cn1 ZINC001589672874 987677693 /nfs/dbraw/zinc/67/76/93/987677693.db2.gz QZAXUEBQEFRRQN-MRVPVSSYSA-N -2 0 310.310 0.641 20 0 DCADRL CC(C)[C@H](CNC(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)C(=O)[O-] ZINC001552396771 1015415555 /nfs/dbraw/zinc/41/55/55/1015415555.db2.gz BCPCVBAVIPISJC-PKFCDNJMSA-N -2 0 314.338 0.086 20 0 DCADRL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001597943239 989921727 /nfs/dbraw/zinc/92/17/27/989921727.db2.gz PAYIOLRGIMKZCA-IUCAKERBSA-N -2 0 317.367 0.380 20 0 DCADRL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1)OCC1CC1 ZINC001590766145 990569840 /nfs/dbraw/zinc/56/98/40/990569840.db2.gz IXWIMHOJQSXWPH-UHFFFAOYSA-N -2 0 318.351 0.856 20 0 DCADRL CC(C)(CS(=O)(=O)[N-]C(=O)/C=C\c1ccco1)C(=O)[O-] ZINC001590797855 990617427 /nfs/dbraw/zinc/61/74/27/990617427.db2.gz HONFCQIMTUAWAR-WAYWQWQTSA-N -2 0 301.320 0.850 20 0 DCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1CCCSC1)C(=O)[O-] ZINC001590798177 990620035 /nfs/dbraw/zinc/62/00/35/990620035.db2.gz NAWVLPSNBJJPOB-MRVPVSSYSA-N -2 0 309.409 0.686 20 0 DCADRL CC(C)(CS(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCC1)C(=O)[O-] ZINC001590799471 990629435 /nfs/dbraw/zinc/62/94/35/990629435.db2.gz XMMDBKGEOCBTIP-VHSXEESVSA-N -2 0 303.380 0.979 20 0 DCADRL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1scnc1C(=O)[O-] ZINC001590976708 991126928 /nfs/dbraw/zinc/12/69/28/991126928.db2.gz WCIJLSMAZMQRGP-LURJTMIESA-N -2 0 322.364 0.619 20 0 DCADRL CC(C)[C@H](CNS(=O)(=O)c1cncc(C(=O)[O-])c1)C(=O)[O-] ZINC001590989802 991204301 /nfs/dbraw/zinc/20/43/01/991204301.db2.gz RTMGOUFDQPGONO-JTQLQIEISA-N -2 0 316.335 0.415 20 0 DCADRL COc1csc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC001599728602 991671728 /nfs/dbraw/zinc/67/17/28/991671728.db2.gz AORWSTQGQTXCDU-BQBZGAKWSA-N -2 0 321.376 0.926 20 0 DCADRL CC(C)Cn1[n-]c(CC(=O)Nc2[nH]cnc2C(=O)[O-])cc1=O ZINC001591505367 992650350 /nfs/dbraw/zinc/65/03/50/992650350.db2.gz HPKPKGXXTCLJTM-UHFFFAOYSA-N -2 0 307.310 0.435 20 0 DCADRL CC(C)Cn1nccc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001591533704 992712130 /nfs/dbraw/zinc/71/21/30/992712130.db2.gz XBLVDUMLMZUTDJ-UHFFFAOYSA-N -2 0 317.367 0.464 20 0 DCADRL 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20 0 DCADRL CCn1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2C)cn1 ZINC001605925971 1170027624 /nfs/dbraw/zinc/02/76/24/1170027624.db2.gz MBJKRJAGPIKDHC-UHFFFAOYSA-N -2 0 313.339 0.293 20 0 DCADRL C[C@H](CS(=O)(=O)N[C@H](C(=O)[O-])c1ccccc1)C(=O)[O-] ZINC001592799476 979452183 /nfs/dbraw/zinc/45/21/83/979452183.db2.gz CXHARMUOVXZWEJ-SCZZXKLOSA-N -2 0 301.320 0.452 20 0 DCADRL CC[C@H](CCC(=O)[O-])NS(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001595125936 979513141 /nfs/dbraw/zinc/51/31/41/979513141.db2.gz PRWBAPRTATYREA-SSDOTTSWSA-N -2 0 305.308 0.900 20 0 DCADRL CCC1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)COC1 ZINC001595366294 980813656 /nfs/dbraw/zinc/81/36/56/980813656.db2.gz ACRCSPBOQRTPIY-UHFFFAOYSA-N -2 0 317.319 0.518 20 0 DCADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cn1cc(C(=O)[O-])cn1 ZINC001595572816 981485954 /nfs/dbraw/zinc/48/59/54/981485954.db2.gz GSNANTIOOXNZLH-VIFPVBQESA-N -2 0 317.367 0.464 20 0 DCADRL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001594769927 981734436 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1171120639 /nfs/dbraw/zinc/12/06/39/1171120639.db2.gz NYKQWMLSEXEBOB-RQJHMYQMSA-N -2 0 303.340 0.185 20 0 DCADRL CCN([C@@H](C)CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001609990249 1171132327 /nfs/dbraw/zinc/13/23/27/1171132327.db2.gz VQNJQTPVTPYSAQ-QMMMGPOBSA-N -2 0 316.335 0.654 20 0 DCADRL CCn1nccc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC001610086447 1171153279 /nfs/dbraw/zinc/15/32/79/1171153279.db2.gz PHRJHROQKAVEJS-UHFFFAOYSA-N -2 0 302.337 0.859 20 0 DCADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)N[C@@H](C)CC(=O)[O-] ZINC001610290442 1171217216 /nfs/dbraw/zinc/21/72/16/1171217216.db2.gz AUSVOYTZQVLIEV-YFKPBYRVSA-N -2 0 323.348 0.596 20 0 DCADRL COc1cc(NC(=O)NC[C@](C)(O)C(=O)[O-])ccc1C(=O)[O-] ZINC001610301672 1171218465 /nfs/dbraw/zinc/21/84/65/1171218465.db2.gz IBMRKLWMCAITOP-ZDUSSCGKSA-N -2 0 312.278 0.351 20 0 DCADRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC/C=C/C(=O)[O-] ZINC001610318024 1171219624 /nfs/dbraw/zinc/21/96/24/1171219624.db2.gz KGCQQSBXWLGPIM-NSCUHMNNSA-N -2 0 315.303 0.313 20 0 DCADRL Cc1c(C(=O)[O-])cc(CN[C@H](C(=O)[O-])c2ccnn2C)n1C ZINC001610408821 1171232162 /nfs/dbraw/zinc/23/21/62/1171232162.db2.gz IFMADJWOQNAKDO-LBPRGKRZSA-N -2 0 306.322 0.681 20 0 DCADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)NCC(=O)[O-] ZINC001610428227 1171235598 /nfs/dbraw/zinc/23/55/98/1171235598.db2.gz MNGSQGDXJSHIFV-UHFFFAOYSA-N -2 0 313.740 0.771 20 0 DCADRL Cc1ccc2c(c1)CC[C@@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])O2 ZINC001610517974 1171246492 /nfs/dbraw/zinc/24/64/92/1171246492.db2.gz PLCNVCJDTFPZKB-NSHDSACASA-N -2 0 313.331 0.219 20 0 DCADRL Cn1cc(S(=O)(=O)[N-]c2cnc(Cl)cn2)cc1C(=O)[O-] ZINC001610606952 1171266059 /nfs/dbraw/zinc/26/60/59/1171266059.db2.gz VSDZDGILCIAHNA-UHFFFAOYSA-N -2 0 316.726 0.968 20 0 DCADRL O=C([O-])[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)c1ccc(F)cc1 ZINC001610684625 1171291368 /nfs/dbraw/zinc/29/13/68/1171291368.db2.gz GJUWXQWVOGDEFV-MRVPVSSYSA-N -2 0 322.252 0.020 20 0 DCADRL O=C([O-])[C@@]12C[C@@H]1CN(S(=O)(=O)CC1(C(=O)[O-])CCCC1)C2 ZINC001610727373 1171298377 /nfs/dbraw/zinc/29/83/77/1171298377.db2.gz KYUCAUDLAGNRSQ-NOZJJQNGSA-N -2 0 317.363 0.368 20 0 DCADRL O=C([O-])CCCS(=O)(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC001610771263 1171317834 /nfs/dbraw/zinc/31/78/34/1171317834.db2.gz GTNLQLUEBMPYER-UHFFFAOYSA-N -2 0 315.347 0.768 20 0 DCADRL O=C([O-])CCS(=O)(=O)[N-]c1ccn(CC(F)(F)F)n1 ZINC001610775309 1171321491 /nfs/dbraw/zinc/32/14/91/1171321491.db2.gz PAZOCOGWBBLGFK-UHFFFAOYSA-N -2 0 301.246 0.662 20 0 DCADRL O=C([O-])c1cc(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)on1 ZINC001610810049 1171333102 /nfs/dbraw/zinc/33/31/02/1171333102.db2.gz KLWPWFHHNVRPOZ-ZETCQYMHSA-N -2 0 318.307 0.002 20 0 DCADRL O=C([O-])c1ccnc(C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC001610854574 1171340288 /nfs/dbraw/zinc/34/02/88/1171340288.db2.gz BUFSQRFVAFNAMY-SECBINFHSA-N -2 0 314.319 0.018 20 0 DCADRL O=C([O-])c1ccnc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC001610855822 1171341561 /nfs/dbraw/zinc/34/15/61/1171341561.db2.gz BHFSEADRVOHCOH-VIFPVBQESA-N -2 0 317.305 0.623 20 0 DCADRL O=C([O-])c1coc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)c1 ZINC001610866384 1171344302 /nfs/dbraw/zinc/34/43/02/1171344302.db2.gz JPNMNOOOKLDGFF-UHFFFAOYSA-N -2 0 301.198 0.600 20 0 DCADRL O=C(NCc1nnn[n-]1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001626985600 1171494457 /nfs/dbraw/zinc/49/44/57/1171494457.db2.gz YDJJJCZQRMATJI-UHFFFAOYSA-N -2 0 321.247 0.299 20 0 DCADRL COc1ccc(-c2ocnc2C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc1 ZINC001637943815 1171782537 /nfs/dbraw/zinc/78/25/37/1171782537.db2.gz JZCAVLLNXNFLBD-UHFFFAOYSA-N -2 0 317.261 0.737 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)cn1)[C@H](O)C(=O)[O-] ZINC001225273445 748583328 /nfs/dbraw/zinc/58/33/28/748583328.db2.gz ARRMUDDJXLQGGT-RCOVLWMOSA-N -2 0 303.654 0.177 20 0 DCADRL O=C(Oc1ccnc(Cl)c1F)[C@H](O)COP(=O)([O-])[O-] ZINC001228580883 749502806 /nfs/dbraw/zinc/50/28/06/749502806.db2.gz UBBAAPLOPDPJFL-SCSAIBSYSA-N -2 0 315.577 0.250 20 0 DCADRL CSc1ncc2ncnc(NCCOP(=O)([O-])[O-])c2n1 ZINC001168588004 752659306 /nfs/dbraw/zinc/65/93/06/752659306.db2.gz XFZMQEPSYMYAFX-UHFFFAOYSA-N -2 0 317.267 0.663 20 0 DCADRL CON(C)C(=O)c1cccc(NCCOP(=O)([O-])[O-])n1 ZINC001168594781 752669599 /nfs/dbraw/zinc/66/95/99/752669599.db2.gz AQRGTOAFCYRKCI-UHFFFAOYSA-N -2 0 305.227 0.236 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])C1(Br)CCC1 ZINC001144749167 767027997 /nfs/dbraw/zinc/02/79/97/767027997.db2.gz PQCOTPXMKYJTBR-UHFFFAOYSA-N -2 0 302.061 0.530 20 0 DCADRL Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(C)c3nnn[n-]3)n2)c1 ZINC001149220201 768717338 /nfs/dbraw/zinc/71/73/38/768717338.db2.gz UZHFCKGIHAWFGN-UHFFFAOYSA-N -2 0 317.284 0.815 20 0 DCADRL Cc1c(C)c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1F ZINC001233867630 769478207 /nfs/dbraw/zinc/47/82/07/769478207.db2.gz GXICNMCHAPISTM-PELKAZGASA-N -2 0 314.265 0.884 20 0 DCADRL COC(=O)c1cccc2nc(OC(=O)[C@H](O)CCC(=O)[O-])[n-]c21 ZINC001234040089 769533170 /nfs/dbraw/zinc/53/31/70/769533170.db2.gz WBPGHNBQUISRJU-SECBINFHSA-N -2 0 322.273 0.481 20 0 DCADRL COc1nc(OC)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159321 770280424 /nfs/dbraw/zinc/28/04/24/770280424.db2.gz HSDCIJHUUWBKCO-UHFFFAOYSA-N -2 0 305.246 0.952 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cccc2ncc(O)cc21 ZINC001155051737 770377772 /nfs/dbraw/zinc/37/77/72/770377772.db2.gz BSVNDCCUPBJYSN-UHFFFAOYSA-N -2 0 312.218 0.780 20 0 DCADRL COC[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1nnn[n-]1 ZINC001155070107 770385804 /nfs/dbraw/zinc/38/58/04/770385804.db2.gz ULGLKYGZXUTBSZ-ZCFIWIBFSA-N -2 0 317.227 0.440 20 0 DCADRL O=C(CSc1n[n-]c(=S)s1)N[C@H]1SC(=O)[N-]C1=O ZINC001177343840 770416351 /nfs/dbraw/zinc/41/63/51/770416351.db2.gz UMSKTYZZBGHNBO-BYPYZUCNSA-N -2 0 322.418 0.344 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cnc2cccc(O)c2c1 ZINC001155543597 770540407 /nfs/dbraw/zinc/54/04/07/770540407.db2.gz KHUFQVGYKSUUIN-UHFFFAOYSA-N -2 0 312.218 0.780 20 0 DCADRL COC(=O)c1cc(Cl)nc(NCCOP(=O)([O-])[O-])n1 ZINC001157786767 771671834 /nfs/dbraw/zinc/67/18/34/771671834.db2.gz ARUJKMLJGUOTMK-UHFFFAOYSA-N -2 0 311.618 0.438 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cc(F)nc(F)c1F ZINC001189176166 772437856 /nfs/dbraw/zinc/43/78/56/772437856.db2.gz SVWBCKZBRVOUNP-UHFFFAOYSA-N -2 0 300.129 0.338 20 0 DCADRL CCN(CCC(N)=O)C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189877291 772550538 /nfs/dbraw/zinc/55/05/38/772550538.db2.gz LQGNJVFTGNNTKS-UHFFFAOYSA-N -2 0 316.250 0.496 20 0 DCADRL C[C@@]1(O)C[C@H](NC(=O)c2ccccc2OP(=O)([O-])[O-])C1 ZINC001189899405 772563273 /nfs/dbraw/zinc/56/32/73/772563273.db2.gz AYFILMNSTBPKLI-LYWQIFSTSA-N -2 0 301.235 0.801 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cc2ccc(Cl)n2cn1 ZINC001152073934 772995598 /nfs/dbraw/zinc/99/55/98/772995598.db2.gz MYOONMLHIIFOIR-UHFFFAOYSA-N -2 0 319.641 0.827 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1cccc(-n2cncn2)c1 ZINC001193897486 773126568 /nfs/dbraw/zinc/12/65/68/773126568.db2.gz CCKSVEVPGCYUMB-UHFFFAOYSA-N -2 0 312.222 0.106 20 0 DCADRL NC(=O)c1ccncc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198740469 773969701 /nfs/dbraw/zinc/96/97/01/773969701.db2.gz HBCYOHDJIQDLPK-UHFFFAOYSA-N -2 0 321.314 0.680 20 0 DCADRL Cc1cc(C(=O)NCCOP(=O)([O-])[O-])n(CC(C)C)n1 ZINC001199091708 774027649 /nfs/dbraw/zinc/02/76/49/774027649.db2.gz CGEXTDCBAVYHJH-UHFFFAOYSA-N -2 0 305.271 0.687 20 0 DCADRL Cc1ccc(C)c(COC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001222908037 775438695 /nfs/dbraw/zinc/43/86/95/775438695.db2.gz HJGGABBYNDLGKV-WCQYABFASA-N -2 0 310.302 0.883 20 0 DCADRL O=C(OCc1cccc2ocnc21)[C@H](O)COP(=O)([O-])[O-] ZINC001224051256 775536403 /nfs/dbraw/zinc/53/64/03/775536403.db2.gz GZEGHEXEWLJNDM-MRVPVSSYSA-N -2 0 317.190 0.341 20 0 DCADRL O=C([O-])C[C@@H](C(=O)OC/C=C/c1ccccc1)[C@@H](O)C(=O)[O-] ZINC001224679666 775596689 /nfs/dbraw/zinc/59/66/89/775596689.db2.gz LRNYVNQXYXEWOJ-BCMFZCSUSA-N -2 0 308.286 0.779 20 0 DCADRL O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(S(=O)(=O)[O-])cc1 ZINC001225513370 775689739 /nfs/dbraw/zinc/68/97/39/775689739.db2.gz HFRMMJHODUJWJI-SECBINFHSA-N -2 0 304.276 0.064 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)c(F)c1)[C@@H](O)C(=O)[O-] ZINC001225784224 775716889 /nfs/dbraw/zinc/71/68/89/775716889.db2.gz MWVAQKLMDRDRCJ-QUBYGPBYSA-N -2 0 320.656 0.921 20 0 DCADRL Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(F)c1F ZINC001225944908 775743670 /nfs/dbraw/zinc/74/36/70/775743670.db2.gz UJZCGWRTODURPZ-ZCFIWIBFSA-N -2 0 312.161 0.649 20 0 DCADRL Cc1cc(O)cc(C)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225965187 775748362 /nfs/dbraw/zinc/74/83/62/775748362.db2.gz YIGQSEGUQKRSMJ-GXSJLCMTSA-N -2 0 312.274 0.451 20 0 DCADRL CSc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001226238613 775787876 /nfs/dbraw/zinc/78/78/76/775787876.db2.gz SNTUXNRSVIXPKL-MWLCHTKSSA-N -2 0 314.315 0.850 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2n[nH]cc21)[C@@H](O)C(=O)[O-] ZINC001226617432 775847421 /nfs/dbraw/zinc/84/74/21/775847421.db2.gz NCQCQGSEJSZJTJ-KSBSHMNSSA-N -2 0 308.246 0.005 20 0 DCADRL CC(=O)c1ccc(C)cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227119694 775931414 /nfs/dbraw/zinc/93/14/14/775931414.db2.gz XDBUGLXSLWCNSI-GXFFZTMASA-N -2 0 324.285 0.639 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Cl)nc1F)[C@@H](O)C(=O)[O-] ZINC001227285459 775955661 /nfs/dbraw/zinc/95/56/61/775955661.db2.gz PQICDKBHVWDQAU-SPGJFGJESA-N -2 0 321.644 0.316 20 0 DCADRL O=C(Oc1cccc2scnc21)[C@H](O)COP(=O)([O-])[O-] ZINC001227955503 776029532 /nfs/dbraw/zinc/02/95/32/776029532.db2.gz XCPQNLLUDXPXCF-ZCFIWIBFSA-N -2 0 319.231 0.672 20 0 DCADRL CSc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001228154388 776053650 /nfs/dbraw/zinc/05/36/50/776053650.db2.gz GUEBHLOQAJREGN-KOLCDFICSA-N -2 0 314.315 0.850 20 0 DCADRL O=C(Oc1ccnc(C(F)F)c1)[C@H](O)COP(=O)([O-])[O-] ZINC001228535037 776094112 /nfs/dbraw/zinc/09/41/12/776094112.db2.gz XGBIWKMUPBEVMY-SSDOTTSWSA-N -2 0 313.149 0.395 20 0 DCADRL O=C(Oc1ccc2nccnc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001228607674 776103276 /nfs/dbraw/zinc/10/32/76/776103276.db2.gz YBTWWYXVXGTSKE-SNVBAGLBSA-N -2 0 314.190 0.005 20 0 DCADRL CCOc1ccc(C)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001228727878 776119828 /nfs/dbraw/zinc/11/98/28/776119828.db2.gz PYEYXYZFHVRZGJ-SNVBAGLBSA-N -2 0 320.234 0.769 20 0 DCADRL Cn1ccc2cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc21 ZINC001229119051 776161657 /nfs/dbraw/zinc/16/16/57/776161657.db2.gz FYJUJIULYSZGLD-LLVKDONJSA-N -2 0 315.218 0.554 20 0 DCADRL Cc1cc(F)c(F)cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230444179 776308719 /nfs/dbraw/zinc/30/87/19/776308719.db2.gz QZYVUJDMOHOSOJ-KGFZYKRKSA-N -2 0 318.228 0.715 20 0 DCADRL Cn1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2ccccc21 ZINC001230631076 776361245 /nfs/dbraw/zinc/36/12/45/776361245.db2.gz XDHKFJWTZPLTIC-KCJUWKMLSA-N -2 0 322.273 0.015 20 0 DCADRL Cc1nc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])sc1C ZINC001600685088 1168249775 /nfs/dbraw/zinc/24/97/75/1168249775.db2.gz QYWNNNAESWNVHP-XNCJUZBTSA-N -2 0 320.392 0.929 20 0 DCADRL Cc1oc(S(=O)(=O)N[C@H](CCF)C(=O)[O-])cc1C(=O)[O-] ZINC001600855736 1168486493 /nfs/dbraw/zinc/48/64/93/1168486493.db2.gz XWOMBXNSQWISFF-SSDOTTSWSA-N -2 0 309.271 0.377 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319.379 0.756 20 0 DCADRL CCOc1ccccc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001610046945 1171145402 /nfs/dbraw/zinc/14/54/02/1171145402.db2.gz KHAMNWQHUWHDMR-QMMMGPOBSA-N -2 0 301.320 0.618 20 0 DCADRL COCCn1ccc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])n1 ZINC001610267078 1171213815 /nfs/dbraw/zinc/21/38/15/1171213815.db2.gz JKGLUPYVBKIWGA-UHFFFAOYSA-N -2 0 305.356 0.382 20 0 DCADRL COc1cccc(S([O-])=CC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC001610359560 1171224425 /nfs/dbraw/zinc/22/44/25/1171224425.db2.gz DJKKQTDNNOJKGY-CHNSCGDPSA-N -2 0 311.359 0.736 20 0 DCADRL Cc1c(NC(=O)C(=O)[N-]OCCC2CC2)cnn1CC(=O)[O-] ZINC001610418175 1171233046 /nfs/dbraw/zinc/23/30/46/1171233046.db2.gz FRUZRZSGQAJGDD-UHFFFAOYSA-N -2 0 310.310 0.063 20 0 DCADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC001610447341 1171236561 /nfs/dbraw/zinc/23/65/61/1171236561.db2.gz RKQZGLHLLLLRPL-UHFFFAOYSA-N -2 0 313.331 0.979 20 0 DCADRL Cc1cc(F)c(C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1F ZINC001610463705 1171238567 /nfs/dbraw/zinc/23/85/67/1171238567.db2.gz MBEHREALHBAAQH-LURJTMIESA-N -2 0 307.274 0.806 20 0 DCADRL Cc1ncc(S(=O)(=O)[N-]C(=O)c2cc(C(=O)[O-])co2)s1 ZINC001610563833 1171255756 /nfs/dbraw/zinc/25/57/56/1171255756.db2.gz AZSOGHOYBMAESX-UHFFFAOYSA-N -2 0 316.316 0.861 20 0 DCADRL Cn1nc2c(c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)CCC2 ZINC001610612420 1171268373 /nfs/dbraw/zinc/26/83/73/1171268373.db2.gz JEUVTTCLPIWUSQ-UHFFFAOYSA-N -2 0 322.346 0.803 20 0 DCADRL O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC001610732990 1171301803 /nfs/dbraw/zinc/30/18/03/1171301803.db2.gz KZPFRFUWRPPWDC-VHSXEESVSA-N -2 0 301.245 0.721 20 0 DCADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2nncs2)[C@H](C(=O)[O-])C1 ZINC001610743905 1171307717 /nfs/dbraw/zinc/30/77/17/1171307717.db2.gz NVVLCWNGKZHRFS-RITPCOANSA-N -2 0 300.296 0.320 20 0 DCADRL O=C([O-])CCCNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001610769613 1171318163 /nfs/dbraw/zinc/31/81/63/1171318163.db2.gz RJYJDAQAPCXTFY-UHFFFAOYSA-N -2 0 312.253 0.443 20 0 DCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ocnc1C1CC1 ZINC001610771678 1171319429 /nfs/dbraw/zinc/31/94/29/1171319429.db2.gz QXTHCWGGAARRDN-UHFFFAOYSA-N -2 0 302.308 0.476 20 0 DCADRL O=C([O-])CCNC(=O)COC(=O)c1cc([S-])ccc1F ZINC001610773825 1171319692 /nfs/dbraw/zinc/31/96/92/1171319692.db2.gz DMOWEKQOSHBMMA-UHFFFAOYSA-N -2 0 301.295 0.862 20 0 DCADRL O=C([O-])Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)s2)[nH]1 ZINC001610798734 1171328145 /nfs/dbraw/zinc/32/81/45/1171328145.db2.gz QJPWGYBEDZETRZ-UHFFFAOYSA-N -2 0 322.755 0.948 20 0 DCADRL O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)CC1 ZINC001610804560 1171331128 /nfs/dbraw/zinc/33/11/28/1171331128.db2.gz YIJWSWMDJOTHGA-GMTAPVOTSA-N -2 0 307.354 0.797 20 0 DCADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001610815721 1171332666 /nfs/dbraw/zinc/33/26/66/1171332666.db2.gz QPSBBOXXEWMANJ-VIFPVBQESA-N -2 0 317.294 0.762 20 0 DCADRL O=C(Nc1nnn[n-]1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001618459517 1171396823 /nfs/dbraw/zinc/39/68/23/1171396823.db2.gz HFODPRXMWDCTJO-UHFFFAOYSA-N -2 0 307.220 0.622 20 0 DCADRL COc1cccc(-c2cc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)on2)c1 ZINC001628805607 1171536127 /nfs/dbraw/zinc/53/61/27/1171536127.db2.gz PIEUVPLUDCAONJ-UHFFFAOYSA-N -2 0 317.261 0.737 20 0 DCADRL Cc1ccc(Br)nc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC001636794723 1171749239 /nfs/dbraw/zinc/74/92/39/1171749239.db2.gz OAQQLENRPFHLDY-UHFFFAOYSA-N -2 0 314.099 0.539 20 0 DCADRL COC(=O)c1nnc(Cl)cc1NCCOP(=O)([O-])[O-] ZINC001168585698 752658444 /nfs/dbraw/zinc/65/84/44/752658444.db2.gz CHWIVVNNJWOGCA-UHFFFAOYSA-N -2 0 311.618 0.438 20 0 DCADRL CS(=O)(=O)c1ccc(NCCOP(=O)([O-])[O-])c(F)c1 ZINC001168592173 752664448 /nfs/dbraw/zinc/66/44/48/752664448.db2.gz LHRFMCJSLQWYCO-UHFFFAOYSA-N -2 0 313.243 0.750 20 0 DCADRL COC(=O)c1cc(OC)c(NCCOP(=O)([O-])[O-])cn1 ZINC001168592629 752665616 /nfs/dbraw/zinc/66/56/16/752665616.db2.gz VUXFNRSHUVJDKL-UHFFFAOYSA-N -2 0 306.211 0.398 20 0 DCADRL CC(=O)c1cc(C(=O)NCCOP(=O)([O-])[O-])ccc1O ZINC001148668821 768030985 /nfs/dbraw/zinc/03/09/85/768030985.db2.gz KADUJAHWOALTMB-UHFFFAOYSA-N -2 0 303.207 0.434 20 0 DCADRL O=P([O-])([O-])OCCNC(F)(F)c1nccc(Cl)n1 ZINC001157788007 762815762 /nfs/dbraw/zinc/81/57/62/762815762.db2.gz VVRPAWZCTMDJOJ-UHFFFAOYSA-N -2 0 303.589 0.878 20 0 DCADRL CCOC(=O)Cc1ccnc(NCCOP(=O)([O-])[O-])c1 ZINC001157795315 762832041 /nfs/dbraw/zinc/83/20/41/762832041.db2.gz JXYRPKXOEHYHQL-UHFFFAOYSA-N -2 0 304.239 0.708 20 0 DCADRL COc1cc(CCC(=O)NCCOP(=O)([O-])[O-])ccn1 ZINC001142236256 768631100 /nfs/dbraw/zinc/63/11/00/768631100.db2.gz LWJZBMXMBVPHAD-UHFFFAOYSA-N -2 0 304.239 0.248 20 0 DCADRL O=C(CCc1ccc2c(c1)OCO2)NCCOP(=O)([O-])[O-] ZINC001142989913 768678168 /nfs/dbraw/zinc/67/81/68/768678168.db2.gz IMVXGZNTSUMYTN-UHFFFAOYSA-N -2 0 317.234 0.573 20 0 DCADRL O=C(Oc1cc2ccccc2[nH]1)[C@H](O)COP(=O)([O-])[O-] ZINC001230744616 768826875 /nfs/dbraw/zinc/82/68/75/768826875.db2.gz SLOJGDYOPSMPGK-SECBINFHSA-N -2 0 301.191 0.544 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cc2ccccc2[nH]1)[C@@H](O)C(=O)[O-] ZINC001230743937 768827637 /nfs/dbraw/zinc/82/76/37/768827637.db2.gz CAXDSLJYBFXZDE-QPUJVOFHSA-N -2 0 307.258 0.610 20 0 DCADRL Cc1noc2cccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c12 ZINC001233667887 769423064 /nfs/dbraw/zinc/42/30/64/769423064.db2.gz NILQSZKWQMAVMX-MADCSZMMSA-N -2 0 323.257 0.578 20 0 DCADRL CC(=O)c1cc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])ccc1C ZINC001234321273 769626265 /nfs/dbraw/zinc/62/62/65/769626265.db2.gz HHJLKMVYRVXKIG-AAEUAGOBSA-N -2 0 324.285 0.639 20 0 DCADRL COc1ccc(F)cc1CC(=O)NCCOP(=O)([O-])[O-] ZINC001181694641 771337778 /nfs/dbraw/zinc/33/77/78/771337778.db2.gz RYVKOLIPSDOAKX-UHFFFAOYSA-N -2 0 307.214 0.602 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])C(=O)c1ccc(Cl)cc1 ZINC001182897964 771574368 /nfs/dbraw/zinc/57/43/68/771574368.db2.gz GVFLAHNHFHLHJK-UHFFFAOYSA-N -2 0 307.626 0.748 20 0 DCADRL O=C(c1ccnc(NCCOP(=O)([O-])[O-])c1)N1CCCC1 ZINC001157790679 771672585 /nfs/dbraw/zinc/67/25/85/771672585.db2.gz CVUXUYGZEOTGKF-UHFFFAOYSA-N -2 0 315.266 0.839 20 0 DCADRL CN1CCc2nc(Cl)nc(NCCOP(=O)([O-])[O-])c2C1 ZINC001157795998 771673594 /nfs/dbraw/zinc/67/35/94/771673594.db2.gz QCIJSYGPPJDDKR-UHFFFAOYSA-N -2 0 322.689 0.639 20 0 DCADRL CC(=O)Nc1cc(F)ccc1C(=O)NCCOP(=O)([O-])[O-] ZINC001186434743 772043624 /nfs/dbraw/zinc/04/36/24/772043624.db2.gz MILUGGYXSWJYQP-UHFFFAOYSA-N -2 0 320.213 0.623 20 0 DCADRL Cn1nncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187552900 772199747 /nfs/dbraw/zinc/19/97/47/772199747.db2.gz FTOGVDRFAQTDCV-UHFFFAOYSA-N -2 0 316.726 0.968 20 0 DCADRL CC(=O)Oc1cccc(C(=O)NCCOP(=O)([O-])[O-])c1C ZINC001189415519 772471290 /nfs/dbraw/zinc/47/12/90/772471290.db2.gz OWFSFANDIAGZJV-UHFFFAOYSA-N -2 0 317.234 0.759 20 0 DCADRL C[C@H]1C(=O)NCCN1C(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189877212 772549730 /nfs/dbraw/zinc/54/97/30/772549730.db2.gz JFRWGDIWIMSBMB-QMMMGPOBSA-N -2 0 314.234 0.119 20 0 DCADRL O=C(NCCNc1ccc(P(=O)([O-])[O-])cc1)c1ccncc1 ZINC001163971745 772600654 /nfs/dbraw/zinc/60/06/54/772600654.db2.gz SOKSGPHGLOVIMG-UHFFFAOYSA-N -2 0 321.273 0.727 20 0 DCADRL COc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])nn1 ZINC001198730807 773968438 /nfs/dbraw/zinc/96/84/38/773968438.db2.gz WWONTMBMIOWTSE-UHFFFAOYSA-N -2 0 309.303 0.984 20 0 DCADRL O=C([O-])C[C@@H](C(=O)OCc1noc2ccccc21)[C@@H](O)C(=O)[O-] ZINC001223610202 775503135 /nfs/dbraw/zinc/50/31/35/775503135.db2.gz YSHICNIROYJMRF-PRHODGIISA-N -2 0 323.257 0.407 20 0 DCADRL O=C([O-])C[C@@H](C(=O)OCCc1cccs1)[C@@H](O)C(=O)[O-] ZINC001224786175 775605170 /nfs/dbraw/zinc/60/51/70/775605170.db2.gz RIIDEBPINZIQPD-PSASIEDQSA-N -2 0 302.304 0.370 20 0 DCADRL CN(C)c1cccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225235094 775656163 /nfs/dbraw/zinc/65/61/63/775656163.db2.gz OPPIRWRXFOZWDY-ZYHUDNBSSA-N -2 0 311.290 0.194 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc(Cl)cc1)[C@@H](O)C(=O)[O-] ZINC001225250224 775658511 /nfs/dbraw/zinc/65/85/11/775658511.db2.gz JOWHSCNLSDPBSV-WCBMZHEXSA-N -2 0 302.666 0.782 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(Cl)cn1)[C@@H](O)C(=O)[O-] ZINC001225273428 775661125 /nfs/dbraw/zinc/66/11/25/775661125.db2.gz ARRMUDDJXLQGGT-HZGVNTEJSA-N -2 0 303.654 0.177 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2cnccc21)[C@@H](O)C(=O)[O-] ZINC001225296860 775663052 /nfs/dbraw/zinc/66/30/52/775663052.db2.gz VGCXMENYTZNDFK-ZWNOBZJWSA-N -2 0 319.269 0.677 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2c(c1)CCC2=O)[C@H](O)C(=O)[O-] ZINC001225362742 775670627 /nfs/dbraw/zinc/67/06/27/775670627.db2.gz RARNDFWUUBPWSA-MFKMUULPSA-N -2 0 322.269 0.257 20 0 DCADRL CC(C)c1ncccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225520691 775690836 /nfs/dbraw/zinc/69/08/36/775690836.db2.gz ABTOGWLUIAWIMJ-UFBFGSQYSA-N -2 0 311.290 0.647 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccccc1[S-])[C@H](O)C(=O)[O-] ZINC001225588768 775697031 /nfs/dbraw/zinc/69/70/31/775697031.db2.gz WIPWZCPLJUVRNZ-WKEGUHRASA-N -3 0 300.288 0.417 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc2c1CCC2=O)[C@@H](O)C(=O)[O-] ZINC001225623541 775699605 /nfs/dbraw/zinc/69/96/05/775699605.db2.gz PVRFOLBTIDVISY-NOZJJQNGSA-N -2 0 322.269 0.257 20 0 DCADRL O=C(Oc1ccc2cc[nH]c2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001225654539 775704284 /nfs/dbraw/zinc/70/42/84/775704284.db2.gz WSSAIZAUQDEODX-SNVBAGLBSA-N -2 0 301.191 0.544 20 0 DCADRL CC(=O)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1 ZINC001225814831 775721846 /nfs/dbraw/zinc/72/18/46/775721846.db2.gz RMCZHNSYQRUUSD-CMPLNLGQSA-N -2 0 310.258 0.331 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1c(F)cc(F)cc1F)[C@H](O)C(=O)[O-] ZINC001225929424 775742944 /nfs/dbraw/zinc/74/29/44/775742944.db2.gz ICIKGWCZABPSTG-ANLVUFKYSA-N -2 0 322.191 0.546 20 0 DCADRL Cn1c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc2ccccc21 ZINC001226240116 775787805 /nfs/dbraw/zinc/78/78/05/775787805.db2.gz QFNMHDUFBAHOQU-NOZJJQNGSA-N -2 0 321.285 0.620 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1cccc2ccncc21)[C@@H](O)C(=O)[O-] ZINC001226614324 775847520 /nfs/dbraw/zinc/84/75/20/775847520.db2.gz IUMNOHXXBTXUAM-TVQRCGJNSA-N -2 0 319.269 0.677 20 0 DCADRL O=C(Oc1cncc2ccccc21)[C@H](O)COP(=O)([O-])[O-] ZINC001226746177 775872421 /nfs/dbraw/zinc/87/24/21/775872421.db2.gz NLAOXRJGJKZUNW-SNVBAGLBSA-N -2 0 313.202 0.610 20 0 DCADRL Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c2c1CCC2 ZINC001227235584 775947972 /nfs/dbraw/zinc/94/79/72/775947972.db2.gz UNZGQGJUSOTVJE-LLVKDONJSA-N -2 0 316.246 0.859 20 0 DCADRL Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1CCC2 ZINC001227233957 775948847 /nfs/dbraw/zinc/94/88/47/775948847.db2.gz CXNNIKVQRIKVAA-SMDDNHRTSA-N -2 0 322.313 0.926 20 0 DCADRL CN(C)c1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001227939380 776027464 /nfs/dbraw/zinc/02/74/64/776027464.db2.gz UXJJCENAILZHPW-CMPLNLGQSA-N -2 0 311.290 0.194 20 0 DCADRL CC(C)c1cccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])n1 ZINC001228320327 776069885 /nfs/dbraw/zinc/06/98/85/776069885.db2.gz NCFVRIIDHWPAOW-QPUJVOFHSA-N -2 0 311.290 0.647 20 0 DCADRL CN(C)c1ccccc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001228870541 776131647 /nfs/dbraw/zinc/13/16/47/776131647.db2.gz AUBBGOYVXCKTGV-UFBFGSQYSA-N -2 0 311.290 0.194 20 0 DCADRL Cc1ccnc(Cl)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001228988487 776144496 /nfs/dbraw/zinc/14/44/96/776144496.db2.gz HQHCDMBAQCGDLZ-POYBYMJQSA-N -2 0 317.681 0.485 20 0 DCADRL Cc1cc2ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc2[nH]1 ZINC001229827224 776228559 /nfs/dbraw/zinc/22/85/59/776228559.db2.gz BROCSSMDHCIBHA-GWCFXTLKSA-N -2 0 321.285 0.918 20 0 DCADRL Cc1cc(C(=O)[O-])cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1 ZINC001600109306 970764476 /nfs/dbraw/zinc/76/44/76/970764476.db2.gz PVQQTFYZOIZHGI-UHFFFAOYSA-N -2 0 304.306 0.880 20 0 DCADRL Cc1ccc(COCC(=O)[N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC001600421403 1168182104 /nfs/dbraw/zinc/18/21/04/1168182104.db2.gz UBADSFJAGODZEK-UHFFFAOYSA-N -2 0 315.347 0.432 20 0 DCADRL Cc1ccc(OCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-])cc1 ZINC001600468122 1168188339 /nfs/dbraw/zinc/18/83/39/1168188339.db2.gz UGIFSRYKYHHWEO-VIFPVBQESA-N -2 0 301.320 0.293 20 0 DCADRL Cc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(C(=O)[O-])c2)cn1 ZINC001600478162 1168189890 /nfs/dbraw/zinc/18/98/90/1168189890.db2.gz OXGIHIJPDBREMD-UHFFFAOYSA-N -2 0 309.303 0.535 20 0 DCADRL Cc1nnc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])o1 ZINC001600791910 1168297438 /nfs/dbraw/zinc/29/74/38/1168297438.db2.gz CVGSWVSEJNUHRR-BYPYZUCNSA-N -2 0 318.336 0.572 20 0 DCADRL O=C([O-])CCc1nc(Cn2cc(Cl)c(=O)[nH]c2=O)no1 ZINC001602048234 1168975153 /nfs/dbraw/zinc/97/51/53/1168975153.db2.gz KLIGBBQPBQYLQX-UHFFFAOYSA-N -2 0 300.658 0.051 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)[C@@H]1CCCc2sccc21 ZINC001602096821 1168994002 /nfs/dbraw/zinc/99/40/02/1168994002.db2.gz GNSUHAAMKRZMPE-MRVPVSSYSA-N -2 0 303.361 0.699 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)on1 ZINC001602292836 1169051465 /nfs/dbraw/zinc/05/14/65/1169051465.db2.gz JDKPIHNTVZTXBI-UHFFFAOYSA-N -2 0 316.335 0.610 20 0 DCADRL 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CO[C@H](C(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001593901411 955872404 /nfs/dbraw/zinc/87/24/04/955872404.db2.gz ZNLLHWQFOBHIMN-QMMMGPOBSA-N -2 0 311.319 0.455 20 0 DCADRL Cn1nccc1[C@H](NC(=O)c1s[n-]c(=O)c1Cl)C(=O)[O-] ZINC001594590762 956059074 /nfs/dbraw/zinc/05/90/74/956059074.db2.gz ZJONCDMTQMQEPV-LURJTMIESA-N -2 0 316.726 0.791 20 0 DCADRL CO[C@H](CS(=O)(=O)[N-]c1ccn(CC(=O)[O-])n1)C1CC1 ZINC001593942012 956286484 /nfs/dbraw/zinc/28/64/84/956286484.db2.gz VVTZIIJXCKZKOW-SECBINFHSA-N -2 0 303.340 0.134 20 0 DCADRL C[C@H](NC(=O)CCCc1nnn[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603220088 972339833 /nfs/dbraw/zinc/33/98/33/972339833.db2.gz BALWTWTXDJHVDE-LPEHRKFASA-N -2 0 309.370 0.774 20 0 DCADRL Cc1ccsc1S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001594425472 959117618 /nfs/dbraw/zinc/11/76/18/959117618.db2.gz JAENBINVATUFKW-HTQZYQBOSA-N -2 0 303.361 0.972 20 0 DCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ncnn1C ZINC000226478504 959887002 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O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1F ZINC000703045271 977148536 /nfs/dbraw/zinc/14/85/36/977148536.db2.gz SJNHHSFIQYNOID-OIBJUYFYSA-N -2 0 323.729 1.000 20 0 DCADRL C[C@@H](CC(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])[C@H]1CCCO1 ZINC001592258475 977496554 /nfs/dbraw/zinc/49/65/54/977496554.db2.gz IHQGGXKEMORLDM-VHSXEESVSA-N -2 0 321.395 0.748 20 0 DCADRL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001592418050 978019894 /nfs/dbraw/zinc/01/98/94/978019894.db2.gz FAYGBVNBLLRWNO-QMMMGPOBSA-N -2 0 301.320 0.455 20 0 DCADRL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001592418041 978020330 /nfs/dbraw/zinc/02/03/30/978020330.db2.gz DSVBRODCWNFROH-LURJTMIESA-N -2 0 305.283 0.665 20 0 DCADRL C[C@H](CN(C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)C(=O)[O-] ZINC001592574756 978473784 /nfs/dbraw/zinc/47/37/84/978473784.db2.gz AGFXZQVBVGBBLH-MRVPVSSYSA-N -2 0 312.326 0.887 20 0 DCADRL C[C@H](CN(C)C(=O)c1ccc(C(=O)[O-])c(F)c1)c1nnn[n-]1 ZINC001592579972 978491203 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DCADRL CCCC[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001595640560 981962632 /nfs/dbraw/zinc/96/26/32/981962632.db2.gz JGIIHBANDIWGOU-VIFPVBQESA-N -2 0 307.368 0.804 20 0 DCADRL CCCC[C@@H](OC(=O)Cn1[n-]cc2c(=O)ncnc1-2)C(=O)[O-] ZINC001595651597 982024032 /nfs/dbraw/zinc/02/40/32/982024032.db2.gz VIMGNHJZQJTNCN-SECBINFHSA-N -2 0 308.294 0.258 20 0 DCADRL CC[C@](C)(OC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001594862414 982154944 /nfs/dbraw/zinc/15/49/44/982154944.db2.gz WULLZGLIJJZGNB-LBPRGKRZSA-N -2 0 319.335 0.906 20 0 DCADRL CC[C@H](C)[C@H](NC(=O)CN(CC(=O)[O-])C1CCC1)C(=O)[O-] ZINC001594888038 982278278 /nfs/dbraw/zinc/27/82/78/982278278.db2.gz YAXUVPYVOKEEBD-ZANVPECISA-N -2 0 300.355 0.541 20 0 DCADRL CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001594981721 982772923 /nfs/dbraw/zinc/77/29/23/982772923.db2.gz FTAFUGBMLPNCJU-VIFPVBQESA-N -2 0 307.368 0.756 20 0 DCADRL C[C@H]1CN(C(=O)NC2CCC(C(=O)[O-])CC2)C[C@@H](C(=O)[O-])O1 ZINC001599918236 985090820 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/nfs/dbraw/zinc/74/87/44/1167748744.db2.gz BTQUPMXPHNVMRK-VIFPVBQESA-N -2 0 302.294 0.805 20 0 DCADRL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)O1 ZINC001593272492 1167749956 /nfs/dbraw/zinc/74/99/56/1167749956.db2.gz BUNMXFPFYJNWIQ-NXEZZACHSA-N -2 0 321.268 0.577 20 0 DCADRL Cc1cccc2c1N(C(=O)C(=O)[N-]OCCCC(=O)[O-])CC2 ZINC001600558197 1168199101 /nfs/dbraw/zinc/19/91/01/1168199101.db2.gz FTCARTWKHHEXAO-UHFFFAOYSA-N -2 0 306.318 0.797 20 0 DCADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)NC[C@@H](C)C(=O)[O-] ZINC001600655749 1168230870 /nfs/dbraw/zinc/23/08/70/1168230870.db2.gz YUENQOSNEASAML-RXMQYKEDSA-N -2 0 307.349 0.754 20 0 DCADRL Cc1nc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])sc1C(=O)[O-] ZINC001600701991 1168257994 /nfs/dbraw/zinc/25/79/94/1168257994.db2.gz UNIPZCOODSMCEV-YFKPBYRVSA-N -2 0 322.364 0.290 20 0 DCADRL Cc1oc(C)c(S(=O)(=O)NCCCC(=O)[O-])c1C(=O)[O-] ZINC001600838885 1168483315 /nfs/dbraw/zinc/48/33/15/1168483315.db2.gz YSLYBIGYXXFDGT-UHFFFAOYSA-N -2 0 305.308 0.738 20 0 DCADRL Cc1oc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1C(=O)[O-] ZINC001600857791 1168488688 /nfs/dbraw/zinc/48/86/88/1168488688.db2.gz QWVLHZWRCJLXOO-UHFFFAOYSA-N -2 0 317.319 0.772 20 0 DCADRL Cn1cc(NC(=O)C(=O)[N-]O[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC001600961602 1168534855 /nfs/dbraw/zinc/53/48/55/1168534855.db2.gz XYBVNPRRHGLGAU-SNVBAGLBSA-N -2 0 311.294 0.236 20 0 DCADRL Cn1[n-]c(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)cc1=O ZINC001601012445 1168562684 /nfs/dbraw/zinc/56/26/84/1168562684.db2.gz LNWCLJVDFJEGFS-AWEZNQCLSA-N -2 0 304.306 0.641 20 0 DCADRL Cn1nc(NC(=O)N2CCC(c3nnn[n-]3)CC2)cc1C(=O)[O-] ZINC001601014209 1168564525 /nfs/dbraw/zinc/56/45/25/1168564525.db2.gz PPGBCELURVVEGN-UHFFFAOYSA-N -2 0 320.313 0.043 20 0 DCADRL NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC001601168074 1168618896 /nfs/dbraw/zinc/61/88/96/1168618896.db2.gz HFAHMKULSHPWIN-UHFFFAOYSA-N -2 0 321.314 0.680 20 0 DCADRL Nc1c(NC(=O)c2c[n-]n3c2nccc3=O)cccc1C(=O)[O-] ZINC001601209543 1168659535 /nfs/dbraw/zinc/65/95/35/1168659535.db2.gz SYVKSDUKQYSHHZ-UHFFFAOYSA-N -2 0 313.273 0.555 20 0 DCADRL O=C([O-])c1ccc(CC(=O)NC2(c3nnn[n-]3)CCC2)cn1 ZINC001601357434 1168718265 /nfs/dbraw/zinc/71/82/65/1168718265.db2.gz NJIXDKJGAZFQAY-UHFFFAOYSA-N -2 0 302.294 0.031 20 0 DCADRL O=C([O-])[C@@H](NC(=O)c1c[n-]n2c1nccc2=O)c1ccsc1 ZINC001601404464 1168733848 /nfs/dbraw/zinc/73/38/48/1168733848.db2.gz FYDUHFZAAJOSLI-JTQLQIEISA-N -2 0 318.314 0.640 20 0 DCADRL O=C([O-])[C@H](CNC(=O)c1n[nH]c(=O)[n-]c1=O)CC1CCCC1 ZINC001601460560 1168755218 /nfs/dbraw/zinc/75/52/18/1168755218.db2.gz JLPZUFWGSOCSIV-QMMMGPOBSA-N -2 0 310.310 0.294 20 0 DCADRL O=C([O-])[C@H](CO)NC(=O)c1cccc(Br)c1[O-] ZINC001601564104 1168778728 /nfs/dbraw/zinc/77/87/28/1168778728.db2.gz FAIFXCXKFJWADT-ZETCQYMHSA-N -2 0 304.096 0.330 20 0 DCADRL O=C([O-])[C@H](CC1CC1)NS(=O)(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC001601639260 1168798493 /nfs/dbraw/zinc/79/84/93/1168798493.db2.gz ATEFGBMJYHYUJU-VWYCJHECSA-N -2 0 319.379 0.803 20 0 DCADRL O=C([O-])C12CC(C(=O)[N-]S(=O)(=O)C[C@@H]3CCCOC3)(C1)C2 ZINC001601728949 1168835361 /nfs/dbraw/zinc/83/53/61/1168835361.db2.gz SAJWRTBNFJUTFZ-UHEGKEBESA-N -2 0 317.363 0.114 20 0 DCADRL O=C([O-])C1CC2(C1)CN(C(=O)[C@H]1CCCOC1)C[C@@H]2C(=O)[O-] ZINC001601785172 1168895400 /nfs/dbraw/zinc/89/54/00/1168895400.db2.gz XGUKJTXKWJFAKN-BFVXHGPNSA-N -2 0 311.334 0.437 20 0 DCADRL O=C([O-])[C@@H]1N(S(=O)(=O)CC2(C(=O)[O-])CCC2)CC12CCC2 ZINC001601867406 1168920432 /nfs/dbraw/zinc/92/04/32/1168920432.db2.gz BZLWYMFEZDEELM-VIFPVBQESA-N -2 0 317.363 0.510 20 0 DCADRL O=C([O-])C[C@@H](CNC(=O)C(=O)[N-]OC1CCCCC1)C1CC1 ZINC001601893666 1168926862 /nfs/dbraw/zinc/92/68/62/1168926862.db2.gz TYSKIEAOKFQNKX-NSHDSACASA-N -2 0 312.366 0.984 20 0 DCADRL O=C([O-])C[C@@H](O)CNC(=O)c1cccc(Br)c1[O-] ZINC001601911285 1168932287 /nfs/dbraw/zinc/93/22/87/1168932287.db2.gz UADXUJCWBYTANN-ZCFIWIBFSA-N -2 0 318.123 0.720 20 0 DCADRL O=C([O-])CCc1cccc(NC(=O)Cn2cc(C(=O)[O-])nn2)c1 ZINC001602043678 1168975286 /nfs/dbraw/zinc/97/52/86/1168975286.db2.gz MGVDJJPRLKXDES-UHFFFAOYSA-N -2 0 318.289 0.632 20 0 DCADRL O=C([O-])CS(=O)(=O)[N-]C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001602097878 1168993780 /nfs/dbraw/zinc/99/37/80/1168993780.db2.gz XMWKCKGUWHPVPC-SECBINFHSA-N -2 0 305.352 0.256 20 0 DCADRL O=C([O-])Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC001602135306 1169001071 /nfs/dbraw/zinc/00/10/71/1169001071.db2.gz UKYURCHWDJEPTD-UHFFFAOYSA-N -2 0 324.314 0.562 20 0 DCADRL O=C([O-])[C@H]1CC[C@H](C(=O)NC2(c3nnn[n-]3)CCCC2)CC1 ZINC001602213836 1169032654 /nfs/dbraw/zinc/03/26/54/1169032654.db2.gz ZMPJLJQFXUCMGV-MGCOHNPYSA-N -2 0 307.354 0.976 20 0 DCADRL O=C([O-])c1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)o1 ZINC001602318398 1169057733 /nfs/dbraw/zinc/05/77/33/1169057733.db2.gz FRANEKITHNAEPU-SSDOTTSWSA-N -2 0 306.278 0.821 20 0 DCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)[nH]1 ZINC001602324145 1169059134 /nfs/dbraw/zinc/05/91/34/1169059134.db2.gz BIAHSXNPGGCNNG-FYBVGQRMSA-N -2 0 312.347 0.961 20 0 DCADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(F)CCOC2)s1 ZINC001602396419 1169070115 /nfs/dbraw/zinc/07/01/15/1169070115.db2.gz SPJDRMYKWWIMAG-SNVBAGLBSA-N -2 0 323.323 0.380 20 0 DCADRL O=C([O-])c1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)n1 ZINC001602431541 1169078017 /nfs/dbraw/zinc/07/80/17/1169078017.db2.gz DKKPAOXSVGGZQS-MRVPVSSYSA-N -2 0 317.305 0.623 20 0 DCADRL O=C([O-])c1cn(-c2cccc(NC(=O)C3(C(=O)[O-])CC3)c2)nn1 ZINC001602489551 1169090711 /nfs/dbraw/zinc/09/07/11/1169090711.db2.gz DSFDUPMOTICQEY-UHFFFAOYSA-N -2 0 316.273 0.769 20 0 DCADRL O=C([O-])c1nscc1S(=O)(=O)NC1(C(=O)[O-])CCC1 ZINC001602587334 1169127590 /nfs/dbraw/zinc/12/75/90/1169127590.db2.gz MNCDCAHNJXGGHD-UHFFFAOYSA-N -2 0 306.321 0.127 20 0 DCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)Cc1cccc2cccnc21 ZINC001603204675 1169274157 /nfs/dbraw/zinc/27/41/57/1169274157.db2.gz RDXQSRGZYKWZFY-VIFPVBQESA-N -2 0 322.342 0.696 20 0 DCADRL CC(C)(CS(=O)(=O)[N-]C(=O)c1cccc(Cl)n1)C(=O)[O-] ZINC001603659810 1169344106 /nfs/dbraw/zinc/34/41/06/1169344106.db2.gz GSZDZBGGHMXPOP-UHFFFAOYSA-N -2 0 320.754 0.905 20 0 DCADRL CC(C)c1nocc1C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001604042533 1169478589 /nfs/dbraw/zinc/47/85/89/1169478589.db2.gz ZDBWGFKSLOYASU-UHFFFAOYSA-N -2 0 318.351 0.968 20 0 DCADRL C[C@H](CCC(=O)[O-])CNS(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001604130743 1169502049 /nfs/dbraw/zinc/50/20/49/1169502049.db2.gz SKCJKRZRDJAEQF-SECBINFHSA-N -2 0 307.368 0.662 20 0 DCADRL C[C@H](NC(=O)Cc1ccc(C(=O)[O-])nc1)c1nn(C)cc1[O-] ZINC001604276503 1169542886 /nfs/dbraw/zinc/54/28/86/1169542886.db2.gz BKXZZWKZFVNJQG-QMMMGPOBSA-N -2 0 304.306 0.639 20 0 DCADRL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(Cn2cnc(C(=O)[O-])n2)C1 ZINC001604589547 1169625248 /nfs/dbraw/zinc/62/52/48/1169625248.db2.gz SLOWBMQZRGUEMN-SNVBAGLBSA-N -2 0 321.259 0.077 20 0 DCADRL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC001605192542 1169864718 /nfs/dbraw/zinc/86/47/18/1169864718.db2.gz CRBHFMSXNBUCBO-SSDOTTSWSA-N -2 0 317.310 0.358 20 0 DCADRL Cc1c(C(=O)[N-]S(=O)(=O)C2CCC2)cccc1-c1nn[nH]n1 ZINC001605479711 1169934374 /nfs/dbraw/zinc/93/43/74/1169934374.db2.gz IONGYGREMRYJMR-UHFFFAOYSA-N -2 0 321.362 0.787 20 0 DCADRL CCOC(=O)c1n[nH]c(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001605581513 1169964634 /nfs/dbraw/zinc/96/46/34/1169964634.db2.gz XOVBYMQCYLYNNE-RKDXNWHRSA-N -2 0 324.337 0.489 20 0 DCADRL CCO[C@H](C)C(=O)[N-]S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001605588554 1169967533 /nfs/dbraw/zinc/96/75/33/1169967533.db2.gz SWTAVEXVPZMZFE-MRVPVSSYSA-N -2 0 316.335 0.583 20 0 DCADRL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001605615177 1169972110 /nfs/dbraw/zinc/97/21/10/1169972110.db2.gz LNWQNVNWHNDIOP-YUMQZZPRSA-N -2 0 317.319 0.516 20 0 DCADRL CCOc1c(F)cccc1C(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001605653195 1169981938 /nfs/dbraw/zinc/98/19/38/1169981938.db2.gz RTRFHRPKQSXWAB-ZETCQYMHSA-N -2 0 319.310 0.757 20 0 DCADRL CC[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(=O)[O-] ZINC001605749043 1169997137 /nfs/dbraw/zinc/99/71/37/1169997137.db2.gz TXBLRPREYYSVFB-SSDOTTSWSA-N -2 0 307.349 0.517 20 0 DCADRL CCc1ccc(F)cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001605815156 1170006493 /nfs/dbraw/zinc/00/64/93/1170006493.db2.gz SQKIKLYTXZZHIC-UHFFFAOYSA-N -2 0 303.311 0.922 20 0 DCADRL COC(=O)CCS(=O)(=O)[N-]c1ccn(C(C)(C)C(=O)[O-])n1 ZINC001606454697 1170209735 /nfs/dbraw/zinc/20/97/35/1170209735.db2.gz HCWPPQQBRAGXMK-UHFFFAOYSA-N -2 0 319.339 0.008 20 0 DCADRL CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001606743181 1170276757 /nfs/dbraw/zinc/27/67/57/1170276757.db2.gz XAVMGVYLUGBHQP-VXNVDRBHSA-N -2 0 304.324 0.466 20 0 DCADRL COC[C@@H](NC(=O)c1ccc(C=CC(=O)[O-])o1)c1nnn[n-]1 ZINC001606812479 1170297503 /nfs/dbraw/zinc/29/75/03/1170297503.db2.gz GPDMOHDOAASLKV-RYEJSQLPSA-N -2 0 307.266 0.008 20 0 DCADRL COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001606833400 1170306576 /nfs/dbraw/zinc/30/65/76/1170306576.db2.gz WWGRGWXVRWKLDA-AWEZNQCLSA-N -2 0 321.289 0.634 20 0 DCADRL COc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1 ZINC001607166627 1170412005 /nfs/dbraw/zinc/41/20/05/1170412005.db2.gz CSQBYCXIHGLEOR-ZCFIWIBFSA-N -2 0 321.738 0.881 20 0 DCADRL COc1cc(S(=O)(=O)N[C@@H](C)CC(=O)[O-])ccc1C(=O)[O-] ZINC001607190305 1170413371 /nfs/dbraw/zinc/41/33/71/1170413371.db2.gz GOIWMFMOROWZOE-ZETCQYMHSA-N -2 0 317.319 0.535 20 0 DCADRL Cc1cc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)oc1C(=O)[O-] ZINC001607704246 1170498118 /nfs/dbraw/zinc/49/81/18/1170498118.db2.gz OVNIHYQEMMIFMC-QMMMGPOBSA-N -2 0 317.319 0.772 20 0 DCADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)oc1C(=O)[O-] ZINC001607706110 1170499204 /nfs/dbraw/zinc/49/92/04/1170499204.db2.gz WJFYLHCQWBIGFJ-MRVPVSSYSA-N -2 0 317.319 0.518 20 0 DCADRL Cc1coc(CC(=O)[O-])c1C(=O)NCCc1n[n-]c(=S)o1 ZINC001607920461 1170525395 /nfs/dbraw/zinc/52/53/95/1170525395.db2.gz QEPIBQJBTAVPTF-UHFFFAOYSA-N -2 0 311.319 0.859 20 0 DCADRL Cc1nc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])ccn2)no1 ZINC001607949042 1170531226 /nfs/dbraw/zinc/53/12/26/1170531226.db2.gz NEZWGGTZEWZAIL-LURJTMIESA-N -2 0 312.307 0.511 20 0 DCADRL O=C([O-])c1coc(S(=O)(=O)[N-]C(=O)CC2CCOCC2)c1 ZINC001608296330 1170644023 /nfs/dbraw/zinc/64/40/23/1170644023.db2.gz BHFZVNILRUXIGH-UHFFFAOYSA-N -2 0 317.319 0.599 20 0 DCADRL O=C(CCCn1c(=O)[n-][nH]c1=O)NC1(C(=O)[O-])CCCCC1 ZINC001608305973 1170645572 /nfs/dbraw/zinc/64/55/72/1170645572.db2.gz FGXKLDUXASPPMO-UHFFFAOYSA-N -2 0 312.326 0.373 20 0 DCADRL O=C([O-])c1ccc(CC(=O)NCCc2n[n-]c(=S)o2)cn1 ZINC001608361913 1170658861 /nfs/dbraw/zinc/65/88/61/1170658861.db2.gz ILURIHRDPZRECY-UHFFFAOYSA-N -2 0 308.319 0.353 20 0 DCADRL O=C([O-])[C@@H](CNC(=O)c1c[n-]n2c1nccc2=O)CC1CC1 ZINC001608420402 1170674954 /nfs/dbraw/zinc/67/49/54/1170674954.db2.gz XIFASWYUXPGJTD-SECBINFHSA-N -2 0 304.306 0.253 20 0 DCADRL O=C([O-])c1coc(S(=O)(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c1 ZINC001608586137 1170708086 /nfs/dbraw/zinc/70/80/86/1170708086.db2.gz IKXHQVBDLRPYLA-MRVPVSSYSA-N -2 0 301.276 0.430 20 0 DCADRL O=C([O-])C1=NO[C@@]2(CCN(C(=O)c3ccc(F)cc3[O-])C2)C1 ZINC001608591357 1170709807 /nfs/dbraw/zinc/70/98/07/1170709807.db2.gz YNTBBDCGFTWZTE-AWEZNQCLSA-N -2 0 308.265 0.977 20 0 DCADRL O=C([O-])CC1(CC(=O)N2CCO[C@H](c3nnn[n-]3)C2)CCCC1 ZINC001608676926 1170734807 /nfs/dbraw/zinc/73/48/07/1170734807.db2.gz JVIBKDMAKQQVQW-JTQLQIEISA-N -2 0 323.353 0.525 20 0 DCADRL O=C([O-])CCCCNS(=O)(=O)c1scnc1C(=O)[O-] ZINC001608713391 1170741850 /nfs/dbraw/zinc/74/18/50/1170741850.db2.gz VZENMAIUNLIRDF-UHFFFAOYSA-N -2 0 308.337 0.375 20 0 DCADRL O=C([O-])CCCS(=O)(=O)[N-][C@@H]([C@H]1CCOC1)C(F)(F)F ZINC001608718263 1170742766 /nfs/dbraw/zinc/74/27/66/1170742766.db2.gz GKPUMZOTISLCCW-CBAPKCEASA-N -2 0 319.301 0.738 20 0 DCADRL O=C([O-])CCN(CC(=O)[O-])C(=O)Cc1ccc(Cl)cn1 ZINC001608720931 1170743235 /nfs/dbraw/zinc/74/32/35/1170743235.db2.gz MXYGYGUNNAARDV-UHFFFAOYSA-N -2 0 300.698 0.665 20 0 DCADRL O=C([O-])CCS(=O)(=O)[N-]c1ccn(Cc2ccncc2)n1 ZINC001608732919 1170747107 /nfs/dbraw/zinc/74/71/07/1170747107.db2.gz RHKQJHIPOAIVHX-UHFFFAOYSA-N -2 0 310.335 0.543 20 0 DCADRL O=C([O-])CCc1csc(NC(=O)CCCc2nnn[n-]2)n1 ZINC001608741153 1170747690 /nfs/dbraw/zinc/74/76/90/1170747690.db2.gz HTFMPZAFCYVIJA-UHFFFAOYSA-N -2 0 310.339 0.635 20 0 DCADRL O=C([O-])c1ccc(CNS(=O)(=O)CC2(C(=O)[O-])CCC2)o1 ZINC001608887217 1170768910 /nfs/dbraw/zinc/76/89/10/1170768910.db2.gz IWULNSJVRPOZJV-UHFFFAOYSA-N -2 0 317.319 0.652 20 0 DCADRL O=C([O-])c1ccc(OCCNC(=O)[C@@H](C(=O)[O-])C2CC2)cc1 ZINC001608908040 1170770355 /nfs/dbraw/zinc/77/03/55/1170770355.db2.gz ZRCLZRPYZOXQLM-LBPRGKRZSA-N -2 0 307.302 0.991 20 0 DCADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1cnn(CC2CC2)c1 ZINC001608965807 1170778195 /nfs/dbraw/zinc/77/81/95/1170778195.db2.gz VSGXJUUJNCACDF-UHFFFAOYSA-N -2 0 311.323 0.515 20 0 DCADRL O=C([O-])c1ncccc1S(=O)(=O)NCC1(C(=O)[O-])CCC1 ZINC001609000461 1170783780 /nfs/dbraw/zinc/78/37/80/1170783780.db2.gz BFGBAFBBNZZOIO-UHFFFAOYSA-N -2 0 314.319 0.313 20 0 DCADRL C[C@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC001609731786 1171075121 /nfs/dbraw/zinc/07/51/21/1171075121.db2.gz AINAFABWKXWROG-MRVPVSSYSA-N -2 0 313.331 0.633 20 0 DCADRL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC001609833609 1171098546 /nfs/dbraw/zinc/09/85/46/1171098546.db2.gz JYRXJMMIBKJSNO-RKDXNWHRSA-N -2 0 320.301 0.645 20 0 DCADRL CC[C@H](C)CO[N-]C(=O)C(=O)Nc1cnn(CC(=O)[O-])c1C ZINC001609906918 1171120563 /nfs/dbraw/zinc/12/05/63/1171120563.db2.gz XJUURMWVTAGOLA-QMMMGPOBSA-N -2 0 312.326 0.309 20 0 DCADRL CC[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])CCO1 ZINC001609948455 1171126163 /nfs/dbraw/zinc/12/61/63/1171126163.db2.gz JZPCCBYSPWDZEE-UWVGGRQHSA-N -2 0 307.368 0.502 20 0 DCADRL CCc1cc([N-]S(=O)(=O)c2csnc2C(=O)[O-])nn1C ZINC001610059946 1171148356 /nfs/dbraw/zinc/14/83/56/1171148356.db2.gz JDJPKMHBKARSOY-UHFFFAOYSA-N -2 0 316.364 0.938 20 0 DCADRL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001610073771 1171149345 /nfs/dbraw/zinc/14/93/45/1171149345.db2.gz JRXLHRAHGVQBSI-HTQZYQBOSA-N -2 0 317.367 0.151 20 0 DCADRL COC[C@@H](NS(=O)(=O)c1ccc(C)cc1C(=O)[O-])C(=O)[O-] ZINC001610251335 1171208198 /nfs/dbraw/zinc/20/81/98/1171208198.db2.gz UUZRHNINMBUEPX-SECBINFHSA-N -2 0 317.319 0.071 20 0 DCADRL COc1cc(NC(=O)NCCC(=O)[O-])c(C(=O)[O-])cc1OC ZINC001610302814 1171218380 /nfs/dbraw/zinc/21/83/80/1171218380.db2.gz VOZUZPFVJFWWPX-UHFFFAOYSA-N -2 0 312.278 0.998 20 0 DCADRL Cc1cc(C(=O)[N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)co1 ZINC001610437260 1171235523 /nfs/dbraw/zinc/23/55/23/1171235523.db2.gz VFAHGNKMCQRVMH-UHFFFAOYSA-N -2 0 316.335 0.359 20 0 DCADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C(=O)[O-] ZINC001610450632 1171237530 /nfs/dbraw/zinc/23/75/30/1171237530.db2.gz IRNVOYJAXJTQDO-MRVPVSSYSA-N -2 0 308.290 0.529 20 0 DCADRL Cc1ccnc(S(=O)(=O)[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)c1 ZINC001610536557 1171249403 /nfs/dbraw/zinc/24/94/03/1171249403.db2.gz XKNUQKUJWRVLFR-UHFFFAOYSA-N -2 0 310.331 0.450 20 0 DCADRL O=C([O-])c1ccccc1NC(=O)CN1CCO[C@@H](C(=O)[O-])C1 ZINC001610663277 1171285865 /nfs/dbraw/zinc/28/58/65/1171285865.db2.gz NKZXNVNHGOQCJH-LLVKDONJSA-N -2 0 308.290 0.109 20 0 DCADRL O=C([O-])c1ccc(NC(=O)C(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC001610700220 1171294007 /nfs/dbraw/zinc/29/40/07/1171294007.db2.gz OSEHDUCNPGDJBG-NSHDSACASA-N -2 0 308.290 0.898 20 0 DCADRL O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC001610760473 1171313080 /nfs/dbraw/zinc/31/30/80/1171313080.db2.gz PYQCJOCNWFEZCK-MRVPVSSYSA-N -2 0 316.335 0.588 20 0 DCADRL O=C([O-])CN(C1CC1)S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001610780604 1171321207 /nfs/dbraw/zinc/32/12/07/1171321207.db2.gz HFVDRKQRRRGYBH-UHFFFAOYSA-N -2 0 305.352 0.510 20 0 DCADRL CCCOc1nc(Cl)nc(NCCOP(=O)([O-])[O-])n1 ZINC001168587679 752659282 /nfs/dbraw/zinc/65/92/82/752659282.db2.gz VLSNTBOAMYFJBW-UHFFFAOYSA-N -2 0 312.650 0.835 20 0 DCADRL COC(=O)[C@@H](C)c1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001168589406 752661242 /nfs/dbraw/zinc/66/12/42/752661242.db2.gz JIYMNLZXUGTKDN-QMMMGPOBSA-N -2 0 304.239 0.879 20 0 DCADRL O=P([O-])([O-])OCCNc1cc(C(F)(F)F)cc[n+]1[O-] ZINC001168589366 752661464 /nfs/dbraw/zinc/66/14/64/752661464.db2.gz IKKURXNLUKJZHG-UHFFFAOYSA-N -2 0 302.145 0.860 20 0 DCADRL COc1ccc(-c2nn[nH]n2)cc1NCCOP(=O)([O-])[O-] ZINC001168591912 752663288 /nfs/dbraw/zinc/66/32/88/752663288.db2.gz IJZCIELDQJZHDR-UHFFFAOYSA-N -2 0 315.226 0.397 20 0 DCADRL Cc1c(NC(=O)c2cc(S(=O)(=O)[O-])ccc2[O-])ncn1C ZINC001148917027 768051057 /nfs/dbraw/zinc/05/10/57/768051057.db2.gz JJQFWXLPMQECCW-UHFFFAOYSA-N -2 0 311.319 0.933 20 0 DCADRL CC(=O)c1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ccc1F ZINC001230956452 769141067 /nfs/dbraw/zinc/14/10/67/769141067.db2.gz FWANAUFNQCQHIX-SNVBAGLBSA-N -2 0 322.181 0.404 20 0 DCADRL CC(C)c1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])nn1 ZINC001233886657 769485213 /nfs/dbraw/zinc/48/52/13/769485213.db2.gz OSXCIUICDAXDGI-RDDDGLTNSA-N -2 0 312.278 0.042 20 0 DCADRL CCc1cccc(C)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001233930427 769498802 /nfs/dbraw/zinc/49/88/02/769498802.db2.gz SQZQVXGPVJNDBP-ZYHUDNBSSA-N -2 0 310.302 0.999 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cc2cccnc2[nH]1)[C@@H](O)C(=O)[O-] ZINC001234628339 769709179 /nfs/dbraw/zinc/70/91/79/769709179.db2.gz KOAFQGQOIIFKSK-GMSGAONNSA-N -2 0 308.246 0.005 20 0 DCADRL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC001176268071 770067532 /nfs/dbraw/zinc/06/75/32/770067532.db2.gz ZBZKCVLNCGFFIK-UHFFFAOYSA-N -2 0 310.335 0.659 20 0 DCADRL Cc1cc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)ccc1N ZINC001176269929 770069366 /nfs/dbraw/zinc/06/93/66/770069366.db2.gz NSZQGZYEXKEIHB-UHFFFAOYSA-N -2 0 310.335 0.659 20 0 DCADRL NC(=O)Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1 ZINC001242159840 770280032 /nfs/dbraw/zinc/28/00/32/770280032.db2.gz TWKYQHAULBCHAZ-UHFFFAOYSA-N -2 0 301.258 0.568 20 0 DCADRL CS(=O)(=O)Cn1cc(-c2ccc(P(=O)([O-])[O-])cc2)cn1 ZINC001242755046 770290822 /nfs/dbraw/zinc/29/08/22/770290822.db2.gz NRZKNPHPURBAEG-UHFFFAOYSA-N -2 0 316.275 0.355 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])C1(c2ccc(F)cn2)CC1 ZINC001178082685 770638702 /nfs/dbraw/zinc/63/87/02/770638702.db2.gz GHKCXABDHKOPAQ-UHFFFAOYSA-N -2 0 304.214 0.478 20 0 DCADRL CC(C)OC(=O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176380 771068628 /nfs/dbraw/zinc/06/86/28/771068628.db2.gz YWHWTARJEPPXKO-YFKPBYRVSA-N -2 0 303.208 0.798 20 0 DCADRL O=c1cc2[nH]c(NCCOP(=O)([O-])[O-])c(Cl)cc-2[nH]1 ZINC001157792246 771673142 /nfs/dbraw/zinc/67/31/42/771673142.db2.gz YVURNZBRIHWFSX-UHFFFAOYSA-N -2 0 307.630 0.751 20 0 DCADRL O=P([O-])([O-])OCCNc1ccnc(N2CCCCC2)n1 ZINC001157795809 771673682 /nfs/dbraw/zinc/67/36/82/771673682.db2.gz LYFUWVCKVWFCRR-UHFFFAOYSA-N -2 0 302.271 0.988 20 0 DCADRL COCCOC(=O)c1ccnc(NCCOP(=O)([O-])[O-])c1 ZINC001157796016 771673746 /nfs/dbraw/zinc/67/37/46/771673746.db2.gz RFTSUMRYNMJYQX-UHFFFAOYSA-N -2 0 320.238 0.406 20 0 DCADRL O=C(NCCOP(=O)([O-])[O-])c1ccccc1-n1nccn1 ZINC001190361518 772621217 /nfs/dbraw/zinc/62/12/17/772621217.db2.gz QVZIGVSXUYQHJI-UHFFFAOYSA-N -2 0 312.222 0.106 20 0 DCADRL O=S(=O)([O-])c1ccc([N-]S(=O)(=O)c2ncc[nH]2)cc1 ZINC001190728202 772670050 /nfs/dbraw/zinc/67/00/50/772670050.db2.gz IEFNZCYKENVKDC-UHFFFAOYSA-N -2 0 303.321 0.457 20 0 DCADRL O=C1[N-]C(=O)[C@@H]([N-]S(=O)(=O)C(Cl)(Cl)Cl)S1 ZINC001192043777 772862309 /nfs/dbraw/zinc/86/23/09/772862309.db2.gz DFFVKQNIHJVRFK-REOHCLBHSA-N -2 0 313.571 0.543 20 0 DCADRL C=Cc1ccc(COC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1 ZINC001223151658 775468682 /nfs/dbraw/zinc/46/86/82/775468682.db2.gz NULXNTSPVFRGFQ-YPMHNXCESA-N -2 0 308.286 0.909 20 0 DCADRL O=C([O-])C[C@H](C(=O)Oc1ccc2cc[nH]c2c1)[C@@H](O)C(=O)[O-] ZINC001225653704 775703317 /nfs/dbraw/zinc/70/33/17/775703317.db2.gz LEPGLRLCRBYCKH-JOYOIKCWSA-N -2 0 307.258 0.610 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc(F)cc1Cl)[C@@H](O)C(=O)[O-] ZINC001225886846 775736816 /nfs/dbraw/zinc/73/68/16/775736816.db2.gz LCBFDOSMPWMWFZ-LHLIQPBNSA-N -2 0 320.656 0.921 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cccc([S-])c1)[C@@H](O)C(=O)[O-] ZINC001226014512 775756436 /nfs/dbraw/zinc/75/64/36/775756436.db2.gz VQXOXGMQUATIJM-PSASIEDQSA-N -3 0 300.288 0.417 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2cnccc2c1)[C@@H](O)C(=O)[O-] ZINC001226576268 775840185 /nfs/dbraw/zinc/84/01/85/775840185.db2.gz PGRKBBWDAXJPIC-DGCLKSJQSA-N -2 0 319.269 0.677 20 0 DCADRL O=C(Oc1cnc2ccccc2c1)[C@H](O)COP(=O)([O-])[O-] ZINC001226663533 775857770 /nfs/dbraw/zinc/85/77/70/775857770.db2.gz HVAGNQXWWDMDJK-LLVKDONJSA-N -2 0 313.202 0.610 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1ccc2cc[nH]c2n1)[C@H](O)C(=O)[O-] ZINC001226806727 775879996 /nfs/dbraw/zinc/87/99/96/775879996.db2.gz FDJHOCFUBSDMPA-XCBNKYQSSA-N -2 0 308.246 0.005 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cc2[nH]ccc2cc1O)[C@H](O)C(=O)[O-] ZINC001228038249 776039161 /nfs/dbraw/zinc/03/91/61/776039161.db2.gz ROGQIDYNYYIJAZ-KRTXAFLBSA-N -2 0 323.257 0.315 20 0 DCADRL Cc1ccc2c(c1)onc2OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001228082077 776045767 /nfs/dbraw/zinc/04/57/67/776045767.db2.gz FHBHNPRUXOGSKG-MRVPVSSYSA-N -2 0 317.190 0.512 20 0 DCADRL O=C([O-])C[C@@H](C(=O)Oc1cc(Cl)ccc1O)[C@@H](O)C(=O)[O-] ZINC001229546630 776201249 /nfs/dbraw/zinc/20/12/49/776201249.db2.gz IXVKCDKVWCLMTK-LHLIQPBNSA-N -2 0 318.665 0.487 20 0 DCADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)COC(C)(C)C ZINC001600834099 1168479158 /nfs/dbraw/zinc/47/91/58/1168479158.db2.gz AYDANJPNYOZTAS-UHFFFAOYSA-N -2 0 319.335 0.906 20 0 DCADRL O=C([O-])c1cccc(CNC(=O)C(=O)[N-]OC[C@H]2CCOC2)c1 ZINC001611338571 970999319 /nfs/dbraw/zinc/99/93/19/970999319.db2.gz VUIDJLMFGZDAJF-NSHDSACASA-N -2 0 322.317 0.085 20 0 DCADRL CCS(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1[O-] ZINC001253360840 946111810 /nfs/dbraw/zinc/11/18/10/946111810.db2.gz CSUYSMDVZYVTPU-UHFFFAOYSA-N -2 0 308.381 0.404 20 0 DCADRL Cc1c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cnn1C ZINC001260392342 947098181 /nfs/dbraw/zinc/09/81/81/947098181.db2.gz HSNZHJXDUALOGL-UHFFFAOYSA-N -2 0 311.319 0.933 20 0 DCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccon2)nc1 ZINC001595220852 949243701 /nfs/dbraw/zinc/24/37/01/949243701.db2.gz KXCZPQHQKFKUGD-UHFFFAOYSA-N -2 0 311.275 0.028 20 0 DCADRL CCN(C(=O)c1ccc(-n2[nH]c(=O)[n-]c2=O)cc1)[C@H](C)C(=O)[O-] ZINC001589705489 950277339 /nfs/dbraw/zinc/27/73/39/950277339.db2.gz GVMOYRXSIKSHRP-MRVPVSSYSA-N -2 0 320.305 0.201 20 0 DCADRL CCO[N-]C(=O)CNC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001591998420 951278982 /nfs/dbraw/zinc/27/89/82/951278982.db2.gz QXNCHYICGGVOEF-RYUDHWBXSA-N -2 0 321.333 0.667 20 0 DCADRL O=C([O-])CN1CC[C@@H](n2[n-]c(=O)c(Cl)c(Cl)c2=O)C1=O ZINC001595081187 951680387 /nfs/dbraw/zinc/68/03/87/951680387.db2.gz GSHIDDDQMZPFHD-SCSAIBSYSA-N -2 0 322.104 0.114 20 0 DCADRL CC(C)(CC(=O)[O-])NC(=O)c1cccc(-n2[n-]nnc2=N)c1 ZINC001602931708 971898788 /nfs/dbraw/zinc/89/87/88/971898788.db2.gz WWFYXOPQRVZCOJ-UHFFFAOYSA-N -2 0 304.310 0.058 20 0 DCADRL CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC(C(=O)[O-])C1 ZINC001593369867 953362684 /nfs/dbraw/zinc/36/26/84/953362684.db2.gz YKMTUJLYMVVENK-UHFFFAOYSA-N -2 0 312.347 0.605 20 0 DCADRL CCn1[n-]nnc1=NC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001593674483 953903532 /nfs/dbraw/zinc/90/35/32/953903532.db2.gz SBGXFPKSGPFAAW-GHMZBOCLSA-N -2 0 316.321 0.550 20 0 DCADRL CCn1[n-]nnc1=NC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593674485 953904049 /nfs/dbraw/zinc/90/40/49/953904049.db2.gz SBGXFPKSGPFAAW-QWRGUYRKSA-N -2 0 316.321 0.550 20 0 DCADRL C[C@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C[C@H]1C(=O)[O-] ZINC001589338099 954011793 /nfs/dbraw/zinc/01/17/93/954011793.db2.gz PEGDNMRSSVHBQM-DTWKUNHWSA-N -2 0 312.326 0.039 20 0 DCADRL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cnon1 ZINC001594895368 954560604 /nfs/dbraw/zinc/56/06/04/954560604.db2.gz FQIXKNOACKSSCW-HTQZYQBOSA-N -2 0 322.243 0.166 20 0 DCADRL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cn[nH]c1 ZINC001594895812 954564334 /nfs/dbraw/zinc/56/43/34/954564334.db2.gz JUSXECLOKHBZIV-IUCAKERBSA-N -2 0 320.271 0.506 20 0 DCADRL CCC(CC)S(=O)(=O)[N-]C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001589512499 955051900 /nfs/dbraw/zinc/05/19/00/955051900.db2.gz COULERBTPKJXLD-NXEZZACHSA-N -2 0 321.395 0.891 20 0 DCADRL C[C@H](NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])O1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589091753 955947593 /nfs/dbraw/zinc/94/75/93/955947593.db2.gz GDSNLWMVIGYTOP-HHKYUTTNSA-N -2 0 313.350 0.870 20 0 DCADRL O=C([O-])c1ccc(C(=O)N2CCC(c3nnn[n-]3)CC2)cn1 ZINC001574791008 957808926 /nfs/dbraw/zinc/80/89/26/957808926.db2.gz CJHBEBGYWKSIAN-UHFFFAOYSA-N -2 0 302.294 0.313 20 0 DCADRL CS(=O)(=O)[N-]C(=O)CCNC(=O)c1ccc(Cl)c([O-])c1 ZINC001362573142 959622827 /nfs/dbraw/zinc/62/28/27/959622827.db2.gz YSCJXXFYJVPUSG-UHFFFAOYSA-N -2 0 320.754 0.241 20 0 DCADRL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]n2c1nccc2=O ZINC001571084679 961038787 /nfs/dbraw/zinc/03/87/87/961038787.db2.gz FPTMXKMTYSXXRI-WCBMZHEXSA-N -2 0 304.306 0.396 20 0 DCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC[C@H](Cc3nnn[n-]3)C2)C1 ZINC001574388431 961149261 /nfs/dbraw/zinc/14/92/61/961149261.db2.gz PGXBWSABIUNGAE-OUAUKWLOSA-N -2 0 307.354 0.482 20 0 DCADRL CCn1[n-]nnc1=NC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001571098574 961203397 /nfs/dbraw/zinc/20/33/97/961203397.db2.gz VIZVSHDOSFGAIX-UHFFFAOYSA-N -2 0 308.298 0.378 20 0 DCADRL COC[C@@H](NC(=O)c1ccc(C(=O)[O-])c(F)c1)c1nnn[n-]1 ZINC001571101103 961222416 /nfs/dbraw/zinc/22/24/16/961222416.db2.gz UURWKRRXMUKUAB-SECBINFHSA-N -2 0 309.257 0.155 20 0 DCADRL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001571127631 961518030 /nfs/dbraw/zinc/51/80/30/961518030.db2.gz AFLVZOKDJAFIJI-VFZGTOFNSA-N -2 0 316.317 0.350 20 0 DCADRL CCn1[n-]nnc1=NC(=O)N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001571128002 961522270 /nfs/dbraw/zinc/52/22/70/961522270.db2.gz HRMGSHQLPDYZIE-UHFFFAOYSA-N -2 0 316.321 0.403 20 0 DCADRL CC(C)[C@H](NC(=O)[O-])C(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC001571138896 961646446 /nfs/dbraw/zinc/64/64/46/961646446.db2.gz GOJZZKUCFQGCRG-QWRGUYRKSA-N -2 0 318.337 0.698 20 0 DCADRL O=C([O-])c1coc(S(=O)(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC001606546667 970316044 /nfs/dbraw/zinc/31/60/44/970316044.db2.gz WMKKMOXBYACEBG-UHFFFAOYSA-N -2 0 303.292 0.654 20 0 DCADRL O=C([O-])c1ccc(C(=O)[N-]S(=O)(=O)CC(F)(F)F)cn1 ZINC001605821004 972552034 /nfs/dbraw/zinc/55/20/34/972552034.db2.gz QSJUBOXRHBDSDV-UHFFFAOYSA-N -2 0 312.225 0.402 20 0 DCADRL CC1(C)C[C@]1(C(=O)[O-])C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001603322964 972654327 /nfs/dbraw/zinc/65/43/27/972654327.db2.gz RRHOIWQMTGGLPU-RMLUDKJBSA-N -2 0 308.338 0.717 20 0 DCADRL O=C([O-])[C@]1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CCCO1 ZINC001605917491 972801969 /nfs/dbraw/zinc/80/19/69/972801969.db2.gz RCXJGXYAGXFVEQ-IINYFYTJSA-N -2 0 317.305 0.039 20 0 DCADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001606056182 973167699 /nfs/dbraw/zinc/16/76/99/973167699.db2.gz PCCCXNVYIOBUJA-JTQLQIEISA-N -2 0 316.273 0.107 20 0 DCADRL O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCC(c3nnn[n-]3)CC2)CO1 ZINC001606107597 973299171 /nfs/dbraw/zinc/29/91/71/973299171.db2.gz LOTFMKVKYTXEOE-WDEREUQCSA-N -2 0 323.353 0.176 20 0 DCADRL CO[N-]C(=O)CNC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001604661248 973831623 /nfs/dbraw/zinc/83/16/23/973831623.db2.gz HIAUKKMNKXVFDK-LLVKDONJSA-N -2 0 307.306 0.058 20 0 DCADRL CC(C)c1nocc1C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001592106101 976880815 /nfs/dbraw/zinc/88/08/15/976880815.db2.gz NAOWIHCHFFZIFT-JGVFFNPUSA-N -2 0 318.351 0.967 20 0 DCADRL CC(C)n1cnc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c1 ZINC001592145391 977000581 /nfs/dbraw/zinc/00/05/81/977000581.db2.gz ASGUMUOUQZHADU-UHFFFAOYSA-N -2 0 313.339 0.546 20 0 DCADRL C[C@H](CC(C)(C)NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)C(=O)[O-] ZINC001592444218 978101976 /nfs/dbraw/zinc/10/19/76/978101976.db2.gz BFMRBAJQCJDDTL-SSDOTTSWSA-N -2 0 318.351 0.881 20 0 DCADRL C[C@H](CN(C(=O)c1c[n-]n2c1nccc2=O)C1CC1)C(=O)[O-] ZINC001592564553 978459140 /nfs/dbraw/zinc/45/91/40/978459140.db2.gz ZUUJQLCNIDIWCN-MRVPVSSYSA-N -2 0 304.306 0.348 20 0 DCADRL C[C@@H](CNS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001592716355 979216724 /nfs/dbraw/zinc/21/67/24/979216724.db2.gz RLTXOSQQIRSERU-QMMMGPOBSA-N -2 0 301.320 0.525 20 0 DCADRL CC[C@H](CC(F)(F)F)C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001595040120 979220223 /nfs/dbraw/zinc/22/02/23/979220223.db2.gz ZGRXQIVTMQLIDJ-ZCFIWIBFSA-N -2 0 305.274 0.886 20 0 DCADRL CCC(CC)(CC(=O)[O-])NC(=O)CCCn1c(=O)[n-][nH]c1=O ZINC001595049433 979272075 /nfs/dbraw/zinc/27/20/75/979272075.db2.gz GXEOAOVVQRUZAR-UHFFFAOYSA-N -2 0 314.342 0.619 20 0 DCADRL C[C@@H](CS(=O)(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])C(=O)[O-] ZINC001592808643 979483499 /nfs/dbraw/zinc/48/34/99/979483499.db2.gz SECKXEMBGWGIPZ-DTWKUNHWSA-N -2 0 309.384 0.906 20 0 DCADRL C[C@@H](Cc1ccc(F)cc1)C(=O)[N-]S(=O)(=O)CC(=O)[O-] ZINC001592853024 979641017 /nfs/dbraw/zinc/64/10/17/979641017.db2.gz AWWSVVFZNANOFE-QMMMGPOBSA-N -2 0 303.311 0.535 20 0 DCADRL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)C(OC)OC ZINC001595311777 980474314 /nfs/dbraw/zinc/47/43/14/980474314.db2.gz ZOCSINGXBWLMBW-ZCFIWIBFSA-N -2 0 308.312 0.049 20 0 DCADRL CC[C@H](OC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001595355486 980702301 /nfs/dbraw/zinc/70/23/01/980702301.db2.gz ZHUCNVVEUVZTFG-JTQLQIEISA-N -2 0 315.347 0.923 20 0 DCADRL CC[C@@H]1CCCC[C@@H]1OCC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001595446951 981094554 /nfs/dbraw/zinc/09/45/54/981094554.db2.gz DESGXPWJNCHOLT-AXFHLTTASA-N -2 0 321.395 0.891 20 0 DCADRL CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001596231209 983625655 /nfs/dbraw/zinc/62/56/55/983625655.db2.gz IEQIYGCKYOLKCK-SSDOTTSWSA-N -2 0 305.308 0.709 20 0 DCADRL CCOC(=O)C(C)(C)CC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001596512394 984285526 /nfs/dbraw/zinc/28/55/26/984285526.db2.gz NOTMFJMPKBCYJZ-UHFFFAOYSA-N -2 0 323.367 0.277 20 0 DCADRL CC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001589035078 985078928 /nfs/dbraw/zinc/07/89/28/985078928.db2.gz NFYABAAHJYMDLQ-UHFFFAOYSA-N -2 0 313.331 0.949 20 0 DCADRL CCO[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596846014 985548468 /nfs/dbraw/zinc/54/84/68/985548468.db2.gz IFQAKXPMZPGKKF-HTQZYQBOSA-N -2 0 317.319 0.516 20 0 DCADRL CC(=O)[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1 ZINC001589234126 985792217 /nfs/dbraw/zinc/79/22/17/985792217.db2.gz QOPXFYWJZHPDGS-KYZUINATSA-N -2 0 316.335 0.799 20 0 DCADRL CCOCCO[N-]C(=O)C(=O)Nc1ccc(CC)cc1C(=O)[O-] ZINC001596937622 986054584 /nfs/dbraw/zinc/05/45/84/986054584.db2.gz GCNNBYLLUOXXBQ-UHFFFAOYSA-N -2 0 324.333 0.970 20 0 DCADRL CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001596944008 986075015 /nfs/dbraw/zinc/07/50/15/986075015.db2.gz FSYOMSBFPPSNTM-MGCOHNPYSA-N -2 0 307.368 0.360 20 0 DCADRL CC(=O)c1cccc(NC(=O)C(=O)[N-]OCCCC(=O)[O-])c1 ZINC001589309888 986082844 /nfs/dbraw/zinc/08/28/44/986082844.db2.gz VSLVCNCBSUPPQE-UHFFFAOYSA-N -2 0 308.290 0.740 20 0 DCADRL CCOC[C@H](NS(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C(=O)[O-] ZINC001596946524 986098010 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O=C([O-])CN1CCC[C@H](C(=O)[N-]Oc2ccc(F)cc2)C1=O ZINC001595083408 951709028 /nfs/dbraw/zinc/70/90/28/951709028.db2.gz QAVIVLPFGNJKBP-LLVKDONJSA-N -2 0 310.281 0.559 20 0 DCADRL C[C@H]1CCCN(C(=O)c2c[n-]n3c2nccc3=O)[C@H]1C(=O)[O-] ZINC001589328725 953935640 /nfs/dbraw/zinc/93/56/40/953935640.db2.gz SAFBWVZNYALYRJ-GZMMTYOYSA-N -2 0 304.306 0.348 20 0 DCADRL O=C([O-])C1(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)CCC1 ZINC001594852346 954206065 /nfs/dbraw/zinc/20/60/65/954206065.db2.gz UKPDJZNICLMNPR-JTQLQIEISA-N -2 0 301.306 0.660 20 0 DCADRL CC[C@H](CNC(=O)c1nc[n-]c(=O)c1Br)C(=O)[O-] ZINC001589551338 955217047 /nfs/dbraw/zinc/21/70/47/955217047.db2.gz ABATVQWBWPWITC-RXMQYKEDSA-N -2 0 318.127 0.785 20 0 DCADRL C[C@H](CN(C)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)c1nnn[n-]1 ZINC001589022589 955483849 /nfs/dbraw/zinc/48/38/49/955483849.db2.gz RBOAYPUZCOCTGX-MRVPVSSYSA-N -2 0 309.370 0.899 20 0 DCADRL C[C@](CNC(=O)[C@@H]1CC[C@H](C(=O)[O-])O1)(C(=O)[O-])c1ccccc1 ZINC001589043957 955603893 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O=C([O-])[C@@H]1C[C@H](NC(=O)CCCc2nnn[n-]2)c2ccccc21 ZINC001594686952 956717553 /nfs/dbraw/zinc/71/75/53/956717553.db2.gz YFHVBWPXMPVAHW-NEPJUHHUSA-N -2 0 315.333 0.952 20 0 DCADRL O=C([O-])c1ccccc1CC(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC001594709991 956873124 /nfs/dbraw/zinc/87/31/24/956873124.db2.gz USOSTXQKBOOQEY-SNVBAGLBSA-N -2 0 313.331 0.162 20 0 DCADRL COCCN(CC(=O)[O-])S(=O)(=O)c1cc([O-])cc(F)c1 ZINC001594001756 956934799 /nfs/dbraw/zinc/93/47/99/956934799.db2.gz ITZUYKNCDFFWMH-UHFFFAOYSA-N -2 0 307.299 0.253 20 0 DCADRL C[C@H](CN(C)C(=O)C=Cc1ccc(C(=O)[O-])o1)c1nnn[n-]1 ZINC001603149952 972247076 /nfs/dbraw/zinc/24/70/76/972247076.db2.gz OJGURVDXCGOVFK-YZCDNWJKSA-N -2 0 305.294 0.766 20 0 DCADRL O=C([O-])c1ccc(C(=O)N2CCOC[C@@H]2c2nnn[n-]2)cc1 ZINC001574796224 957820864 /nfs/dbraw/zinc/82/08/64/957820864.db2.gz QREXXNSJNODSGN-SNVBAGLBSA-N -2 0 303.278 0.112 20 0 DCADRL O=C(c1cc(F)cc(F)c1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC001361785022 958327632 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CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1(C)C ZINC000315478877 963906560 /nfs/dbraw/zinc/90/65/60/963906560.db2.gz VUGZRENSUBYFEU-SFYZADRCSA-N -2 0 304.324 0.465 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)on1 ZINC000315476322 963906634 /nfs/dbraw/zinc/90/66/34/963906634.db2.gz VNLKYPDRVFSDSU-JTQLQIEISA-N -2 0 312.303 0.385 20 0 DCADRL CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])no2)C1 ZINC000316031114 963967625 /nfs/dbraw/zinc/96/76/25/963967625.db2.gz UOVRSRYIBHVQAR-RNFRBKRXSA-N -2 0 306.365 0.935 20 0 DCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)on1 ZINC000316081000 963973393 /nfs/dbraw/zinc/97/33/93/963973393.db2.gz LNKAHNBODARFAP-VIFPVBQESA-N -2 0 308.315 0.991 20 0 DCADRL C[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC001609700948 970467579 /nfs/dbraw/zinc/46/75/79/970467579.db2.gz IWAFOWZOUQUSQN-SECBINFHSA-N -2 0 323.330 0.398 20 0 DCADRL C[C@]1(C(=O)[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CCCCO1 ZINC001603292767 972559082 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O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001606445926 973891158 /nfs/dbraw/zinc/89/11/58/973891158.db2.gz JFFSNCOTMWKJHJ-VIFPVBQESA-N -2 0 302.294 0.199 20 0 DCADRL O=C([O-])c1ccc(C=CC(=O)N2CCC[C@H](c3nnn[n-]3)C2)o1 ZINC001606482398 973961206 /nfs/dbraw/zinc/96/12/06/973961206.db2.gz ATPWMDCUQCCGPT-DNQSNQRASA-N -2 0 317.305 0.910 20 0 DCADRL O=C([O-])[C@H](C(=O)N1C[C@H]2COC[C@]2(C(=O)[O-])C1)C1CCCC1 ZINC001549305078 1014213800 /nfs/dbraw/zinc/21/38/00/1014213800.db2.gz HEMNXMMRCDGVPU-ZIBATOQPSA-N -2 0 311.334 0.437 20 0 DCADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001592202019 977213421 /nfs/dbraw/zinc/21/34/21/977213421.db2.gz RLRCTQRQZVELBG-NRTJZSHXSA-N -2 0 310.272 0.835 20 0 DCADRL C[C@@H](CS(=O)(=O)N1CCc2occc2[C@H]1C(=O)[O-])C(=O)[O-] ZINC001592800692 979460009 /nfs/dbraw/zinc/46/00/09/979460009.db2.gz QLGBTKPHXXCBRB-XVKPBYJWSA-N -2 0 317.319 0.314 20 0 DCADRL C[C@@H](CS(=O)(=O)N[C@@H](CC(=O)[O-])CC(C)(C)C)C(=O)[O-] ZINC001592808381 979483100 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CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001594936780 982595691 /nfs/dbraw/zinc/59/56/91/982595691.db2.gz ODWJQBYRZWHTJL-HTQZYQBOSA-N -2 0 306.340 0.448 20 0 DCADRL CCO[C@H](C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-])c1ccccc1 ZINC001596762651 985161704 /nfs/dbraw/zinc/16/17/04/985161704.db2.gz XBFDWWSBGPMVRM-KOLCDFICSA-N -2 0 315.347 0.683 20 0 DCADRL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC[C@H](c2nnn[n-]2)C1 ZINC001599954637 985667192 /nfs/dbraw/zinc/66/71/92/985667192.db2.gz PEZAYBRNAHMTPQ-QMMMGPOBSA-N -2 0 304.310 0.473 20 0 DCADRL Cc1c(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cnn1CCC(C)C ZINC001599982498 986183173 /nfs/dbraw/zinc/18/31/73/986183173.db2.gz XNBXXYXZAHPYSQ-UHFFFAOYSA-N -2 0 317.367 0.382 20 0 DCADRL CCO[N-]C(=O)CNC(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001596969216 986189703 /nfs/dbraw/zinc/18/97/03/986189703.db2.gz UJDSIZUFJMJEEI-JTQLQIEISA-N -2 0 315.370 0.587 20 0 DCADRL CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001596975087 986212541 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