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/nfs/dbraw/zinc/80/31/14/772803114.db2.gz FGYWZPHGJDAJHN-CYBMUJFWSA-N -1 0 289.253 1.757 20 10 CDCDRM CC[C@H](COC)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193246884 923563383 /nfs/dbraw/zinc/56/33/83/923563383.db2.gz DSWIHVUUDDQFEN-SSDOTTSWSA-N -1 0 273.716 1.906 20 10 CDCDRM [O-]c1c(F)ccc(F)c1CN1CCN(C2COC2)CC1 ZINC001139683169 937401493 /nfs/dbraw/zinc/40/14/93/937401493.db2.gz AMNUTFNDCJRKTM-UHFFFAOYSA-N -1 0 284.306 1.187 20 10 CDCDRM COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231447470 942893289 /nfs/dbraw/zinc/89/32/89/942893289.db2.gz UYPBLMKVMMPLJP-LLVKDONJSA-N -1 0 279.292 1.085 20 10 CDCDRM CCOC1CN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231561134 942927466 /nfs/dbraw/zinc/92/74/66/942927466.db2.gz OUSAJQJNFPWLKT-UHFFFAOYSA-N -1 0 251.282 1.311 20 10 CDCDRM Cc1nc(CN(C)Cc2cc(C(=O)[O-])ccc2O)no1 ZINC001231561636 942928830 /nfs/dbraw/zinc/92/88/30/942928830.db2.gz XHWDUUBOFJSTBA-UHFFFAOYSA-N -1 0 277.280 1.414 20 10 CDCDRM COC(=O)C1CN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236804290 944574387 /nfs/dbraw/zinc/57/43/87/944574387.db2.gz XXZNGDKYHMYTHH-UHFFFAOYSA-N -1 0 285.727 1.659 20 10 CDCDRM CC(=O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251432798 950700549 /nfs/dbraw/zinc/70/05/49/950700549.db2.gz NOZAIWHTOSREGO-UHFFFAOYSA-N -1 0 298.147 1.566 20 10 CDCDRM CC(=O)c1cc([N-]S(=O)(=O)C(F)(F)F)ccc1O ZINC001252355307 951208372 /nfs/dbraw/zinc/20/83/72/951208372.db2.gz NSHMUIZDSIZUKU-UHFFFAOYSA-N -1 0 283.227 1.856 20 10 CDCDRM C[C@H](C(=O)[O-])N(C(=O)c1cccc(O)c1O)C1CC1 ZINC000382949963 951231082 /nfs/dbraw/zinc/23/10/82/951231082.db2.gz LJUWYAJOWSDNQE-SSDOTTSWSA-N -1 0 265.265 1.176 20 10 CDCDRM CCc1cccc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)c1O ZINC001593642546 953661380 /nfs/dbraw/zinc/66/13/80/953661380.db2.gz SWYVUBYFGMWUEZ-LBPRGKRZSA-N -1 0 265.309 1.240 20 10 CDCDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC001594788841 953684005 /nfs/dbraw/zinc/68/40/05/953684005.db2.gz FJYPJLANPWUXLG-SFYZADRCSA-N -1 0 255.295 1.437 20 10 CDCDRM C[C@H](CC(=O)[O-])NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC001603124880 972210644 /nfs/dbraw/zinc/21/06/44/972210644.db2.gz XVQVTFOYOHYTNS-QIUOEGRZSA-N -1 0 265.265 1.090 20 10 CDCDRM CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)[O-] ZINC000400408827 973273638 /nfs/dbraw/zinc/27/36/38/973273638.db2.gz XGUGQUVNEKQLNC-ZWNOBZJWSA-N -1 0 278.352 1.817 20 10 CDCDRM C/C(=C\CNC(=O)NCc1cc(Cl)ccc1O)C(=O)[O-] ZINC001588973442 984802045 /nfs/dbraw/zinc/80/20/45/984802045.db2.gz KWYKWOADWQEUSP-XBXARRHUSA-N -1 0 298.726 1.876 20 10 CDCDRM C[C@@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccc1O ZINC001599838218 988779919 /nfs/dbraw/zinc/77/99/19/988779919.db2.gz HHZNRJHIOYUMFV-SECBINFHSA-N -1 0 289.291 1.164 20 10 CDCDRM CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(=O)[O-])CC1 ZINC001598333613 991374301 /nfs/dbraw/zinc/37/43/01/991374301.db2.gz KBPXGBJQEYRUBB-UHFFFAOYSA-N -1 0 290.319 1.343 20 10 CDCDRM CC(C)[C@H](Sc1ncc(C(=O)[O-])s1)C(N)=O ZINC001591051636 991451597 /nfs/dbraw/zinc/45/15/97/991451597.db2.gz FJVCQXMLPZNSIB-LURJTMIESA-N -1 0 260.340 1.443 20 10 CDCDRM COc1ccc(N(C)CC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC001599584588 993594897 /nfs/dbraw/zinc/59/48/97/993594897.db2.gz YUEWPGFAMIDBNW-AWEZNQCLSA-N -1 0 294.351 1.357 20 10 CDCDRM COc1c(C(=O)[O-])ncnc1N(C)Cc1ccccc1O ZINC001599331005 997747954 /nfs/dbraw/zinc/74/79/54/997747954.db2.gz AZJRZDNOGAWELB-UHFFFAOYSA-N -1 0 289.291 1.525 20 10 CDCDRM Cc1ccc(C(=O)N(C)[C@@H]2CCCCNC2=O)c(O)c1O ZINC000378566580 329055218 /nfs/dbraw/zinc/05/52/18/329055218.db2.gz ATHCTIUETGTLFO-LLVKDONJSA-N -1 0 292.335 1.147 20 10 CDCDRM Cc1cc([N-]S(=O)(=O)c2cn(C)cn2)c(C)c(C)c1O ZINC000274788062 525289696 /nfs/dbraw/zinc/28/96/96/525289696.db2.gz LWGRHELPFJVVML-UHFFFAOYSA-N -1 0 295.364 1.852 20 10 CDCDRM CN(C)c1ccc(CNc2cnc(C(=O)[O-])cn2)cc1 ZINC000830639878 601930535 /nfs/dbraw/zinc/93/05/35/601930535.db2.gz RHXSMICEAWYJDW-UHFFFAOYSA-N -1 0 272.308 1.853 20 10 CDCDRM C[C@@H](C(N)=O)N(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000833407311 604876832 /nfs/dbraw/zinc/87/68/32/604876832.db2.gz JPPFZJKPGGTENM-HORMHSFOSA-N -1 0 293.279 1.003 20 10 CDCDRM Cn1c(C(=O)[O-])ccc1C(=O)NCc1ccccc1O ZINC001608082543 1164402723 /nfs/dbraw/zinc/40/27/23/1164402723.db2.gz OSMGCTJIGHLAJR-UHFFFAOYSA-N -1 0 274.276 1.359 20 10 CDCDRM O=C([O-])c1ccc(C(=O)NCc2ccc(O)c(O)c2)o1 ZINC001608874685 1164668930 /nfs/dbraw/zinc/66/89/30/1164668930.db2.gz WNSGTCGRHHPGHP-UHFFFAOYSA-N -1 0 277.232 1.319 20 10 CDCDRM O=C([O-])c1ccc(CNC(=O)C2=CC(=O)CS2)nc1 ZINC001608884401 1164674803 /nfs/dbraw/zinc/67/48/03/1164674803.db2.gz PTNNCHFVASNLEQ-UHFFFAOYSA-N -1 0 278.289 1.477 20 10 CDCDRM O=C([O-])c1cnc(SCN2CCCCC2=O)s1 ZINC001610862525 1165465807 /nfs/dbraw/zinc/46/58/07/1165465807.db2.gz FDRYFTYLNVFUSC-UHFFFAOYSA-N -1 0 272.351 1.903 20 10 CDCDRM C[C@H](Nc1ccnc(C(=O)[O-])n1)c1ccccc1O ZINC001607461153 1164189763 /nfs/dbraw/zinc/18/97/63/1164189763.db2.gz BNHRLMNKVZUGGY-QMMMGPOBSA-N -1 0 259.265 1.475 20 10 CDCDRM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc(O)c1O ZINC001609698432 1165046486 /nfs/dbraw/zinc/04/64/86/1165046486.db2.gz DNCHOMYARKGRTG-UHFFFAOYSA-N -1 0 281.308 1.671 20 10 CDCDRM C[C@@H](O)CN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844207196 773831920 /nfs/dbraw/zinc/83/19/20/773831920.db2.gz BZJPXCDXKMVLMR-XTULLQBASA-N -1 0 280.280 1.510 20 10 CDCDRM CC1(O)CN(Cc2cccc(Br)c2[O-])C1 ZINC000877581198 774394805 /nfs/dbraw/zinc/39/48/05/774394805.db2.gz QCOWANNATMLYRP-UHFFFAOYSA-N -1 0 272.142 1.721 20 10 CDCDRM CN(Cc1cn(C)nn1)Cc1cccc(Cl)c1[O-] ZINC000827304785 774842025 /nfs/dbraw/zinc/84/20/25/774842025.db2.gz FAJCQKLSZNLMLG-UHFFFAOYSA-N -1 0 266.732 1.806 20 10 CDCDRM C[C@H](C(=O)[O-])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000229335785 774928121 /nfs/dbraw/zinc/92/81/21/774928121.db2.gz KVFBHEGUOLTUIJ-JTQLQIEISA-N -1 0 264.325 1.432 20 10 CDCDRM O=C(NC[C@@H]1CCC[C@H](O)C1)c1c(F)ccc(O)c1O ZINC000790071295 775206774 /nfs/dbraw/zinc/20/67/74/775206774.db2.gz UWKBGCVMOKIJIC-BDAKNGLRSA-N -1 0 283.299 1.518 20 10 CDCDRM Nc1ccc(CC(=O)NCc2cccc(C(=O)[O-])c2)cc1 ZINC000040486370 775231858 /nfs/dbraw/zinc/23/18/58/775231858.db2.gz OYNKNKIIKUFOGC-UHFFFAOYSA-N -1 0 284.315 1.826 20 10 CDCDRM O=C1N[C@H](c2cc(F)cc(F)c2[O-])N2CCSC[C@@H]12 ZINC000887329516 776479544 /nfs/dbraw/zinc/47/95/44/776479544.db2.gz IRQIRGKQNWWRGI-ONGXEEELSA-N -1 0 286.303 1.216 20 10 CDCDRM O=C(N[C@@H]1CCOC[C@@H]1F)c1cc(O)c([O-])c(Cl)c1 ZINC001193634573 923823122 /nfs/dbraw/zinc/82/31/22/923823122.db2.gz YECXMAXQEJVHTO-DTWKUNHWSA-N -1 0 289.690 1.608 20 10 CDCDRM CC1(C)[C@H](O)C[C@@H]1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193634652 923823719 /nfs/dbraw/zinc/82/37/19/923823719.db2.gz ZNSOLCYAMNGLLQ-VHSXEESVSA-N -1 0 285.727 1.640 20 10 CDCDRM O=C(Nc1cn[nH]c(=O)c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193605310 923835995 /nfs/dbraw/zinc/83/59/95/923835995.db2.gz DMNVSMLJPVJSFX-UHFFFAOYSA-N -1 0 281.655 1.499 20 10 CDCDRM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1C[C@@H]2C[C@@H]2C1 ZINC001147880663 932626127 /nfs/dbraw/zinc/62/61/27/932626127.db2.gz DZFQZBUQFOKUAM-PHIMTYICSA-N -1 0 269.304 1.258 20 10 CDCDRM Cn1cncc1NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878837 932626984 /nfs/dbraw/zinc/62/69/84/932626984.db2.gz VEMLJIPDHFTZHF-UHFFFAOYSA-N -1 0 283.291 1.152 20 10 CDCDRM Cc1sc([N-]S(=O)(=O)C(F)F)c(C(N)=O)c1C ZINC001259950205 936016292 /nfs/dbraw/zinc/01/62/92/936016292.db2.gz HIGSUTZRDNUKCL-UHFFFAOYSA-N -1 0 284.309 1.428 20 10 CDCDRM COc1ccc(CN2CC3(COC3)C2)c([O-])c1Cl ZINC001236802503 944574077 /nfs/dbraw/zinc/57/40/77/944574077.db2.gz RALLFWLKHZIARS-UHFFFAOYSA-N -1 0 269.728 1.886 20 10 CDCDRM O=S(=O)(Nc1ccc(O)c(F)c1F)c1cccnc1 ZINC001259606817 945600916 /nfs/dbraw/zinc/60/09/16/945600916.db2.gz FBPNYCYKXUQJKU-UHFFFAOYSA-N -1 0 286.259 1.866 20 10 CDCDRM COCCn1ccc(-c2cc(C(=O)[O-])cnc2F)cc1=O ZINC001244762354 947462120 /nfs/dbraw/zinc/46/21/20/947462120.db2.gz JECFYOKMMLVWJN-UHFFFAOYSA-N -1 0 292.266 1.394 20 10 CDCDRM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001595167767 952211411 /nfs/dbraw/zinc/21/14/11/952211411.db2.gz ZYULDMCFTAMAGH-JTQLQIEISA-N -1 0 257.236 1.719 20 10 CDCDRM CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-] ZINC001593607313 953441160 /nfs/dbraw/zinc/44/11/60/953441160.db2.gz XIWOHWHGGKZKOZ-OIBJUYFYSA-N -1 0 268.269 1.814 20 10 CDCDRM COc1c([O-])c(C[N@H+](C)CCC(=O)[O-])ccc1[N+](=O)[O-] ZINC001594047782 957949544 /nfs/dbraw/zinc/94/95/44/957949544.db2.gz FUQNJVHMYSZGDF-UHFFFAOYSA-N -1 0 284.268 1.216 20 10 CDCDRM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccccc1O ZINC001594238407 959518437 /nfs/dbraw/zinc/51/84/37/959518437.db2.gz XFFHBGPXZIOUJM-VIFPVBQESA-N -1 0 286.287 1.976 20 10 CDCDRM C[C@@H]([NH2+][C@@H](C)CC(=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC001609888675 970587684 /nfs/dbraw/zinc/58/76/84/970587684.db2.gz PKRLMLJQUKNTIC-JGVFFNPUSA-N -1 0 268.269 1.814 20 10 CDCDRM Nc1ccc(CCNC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc1 ZINC000397117854 972970675 /nfs/dbraw/zinc/97/06/75/972970675.db2.gz YGZZBXLZLXYIJY-NWDGAFQWSA-N -1 0 262.309 1.038 20 10 CDCDRM CC[C@H](Sc1ncc(C(=O)[O-])s1)C(=O)OC ZINC001595358381 980731803 /nfs/dbraw/zinc/73/18/03/980731803.db2.gz DMRVTGGBUALJEZ-YFKPBYRVSA-N -1 0 261.324 1.885 20 10 CDCDRM CCN(CCC(=O)[O-])C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001596305555 983732872 /nfs/dbraw/zinc/73/28/72/983732872.db2.gz FYFCSYGRQYMSCT-XQRVVYSFSA-N -1 0 279.292 1.434 20 10 CDCDRM C[C@H]1CCN(C(=O)Cc2ccc(O)c(O)c2)[C@H](C(=O)[O-])C1 ZINC001604742707 1163305373 /nfs/dbraw/zinc/30/53/73/1163305373.db2.gz CUDUQHSNPFVAQH-ONGXEEELSA-N -1 0 293.319 1.352 20 10 CDCDRM CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001598530372 992771888 /nfs/dbraw/zinc/77/18/88/992771888.db2.gz CEIRPJSSBAOSAK-PWSUYJOCSA-N -1 0 292.335 1.787 20 10 CDCDRM CON(C)C(=O)CCSc1ncc(C(=O)[O-])s1 ZINC001599315335 997490062 /nfs/dbraw/zinc/49/00/62/997490062.db2.gz DJMUNKQUORLLDT-UHFFFAOYSA-N -1 0 276.339 1.343 20 10 CDCDRM COc1ccc(C=CC(=O)[O-])cc1OCC(=O)C(C)=O ZINC001599544279 997897441 /nfs/dbraw/zinc/89/74/41/997897441.db2.gz GXVBIXMSZRJOBF-XQRVVYSFSA-N -1 0 278.260 1.330 20 10 CDCDRM CN(C)c1ccc2c(c1)OCCN2C(=O)CCC(=O)[O-] 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-1 0 278.260 1.685 20 10 CDCDRM O=C([O-])c1cnc(SCc2ncnn2CCF)s1 ZINC001610863405 1165465644 /nfs/dbraw/zinc/46/56/44/1165465644.db2.gz XNKFMZQMWHGQFS-UHFFFAOYSA-N -1 0 288.329 1.695 20 10 CDCDRM O=S1CC2(CN(Cc3cc(Cl)cc(F)c3[O-])C2)C1 ZINC001237617417 1167395429 /nfs/dbraw/zinc/39/54/29/1167395429.db2.gz QFEFOWHTUJJJDC-UHFFFAOYSA-N -1 0 289.759 1.749 20 10 CDCDRM C[C@@H]([NH2+][C@H]1CC12CC2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589954686 1173212135 /nfs/dbraw/zinc/21/21/35/1173212135.db2.gz INJPDAVAGZHMTG-KCJUWKMLSA-N -1 0 271.324 1.775 20 10 CDCDRM Cc1cc(C(=O)[O-])nc(NCc2c(O)cccc2F)n1 ZINC001600128597 1174370055 /nfs/dbraw/zinc/37/00/55/1174370055.db2.gz UGEKIMCITYOBLO-UHFFFAOYSA-N -1 0 277.255 1.940 20 10 CDCDRM CSc1cc(O)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000792703458 723764330 /nfs/dbraw/zinc/76/43/30/723764330.db2.gz XEXCQUQCVACAJL-UHFFFAOYSA-N -1 0 285.350 1.638 20 10 CDCDRM COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)C(=O)[O-])c1 ZINC000843328744 723768552 /nfs/dbraw/zinc/76/85/52/723768552.db2.gz 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/nfs/dbraw/zinc/22/89/09/725228909.db2.gz FQLOFCZRRRLNNR-UHFFFAOYSA-N -1 0 267.310 1.479 20 10 CDCDRM CCC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C(=O)[O-] ZINC000780349227 725409574 /nfs/dbraw/zinc/40/95/74/725409574.db2.gz FSXNAUISEZOYNB-CYBMUJFWSA-N -1 0 293.367 1.805 20 10 CDCDRM C[C@H]1OCC[C@H]1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784492784 725428486 /nfs/dbraw/zinc/42/84/86/725428486.db2.gz HEFFLQQRAYLIPX-PSASIEDQSA-N -1 0 280.276 1.249 20 10 CDCDRM CCCOC(=O)[C@H](C)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC001609980363 1165172388 /nfs/dbraw/zinc/17/23/88/1165172388.db2.gz XOWAFNSDYDMFIG-NSHDSACASA-N -1 0 295.335 1.928 20 10 CDCDRM [O-]c1c(F)ccc(F)c1CN1CCO[C@H]2C[C@@H](CO)C[C@@H]21 ZINC001139681571 936634920 /nfs/dbraw/zinc/63/49/20/936634920.db2.gz TYDNNAGJAAYJFO-HERUPUMHSA-N -1 0 299.317 1.642 20 10 CDCDRM [O-]c1c(F)ccc(F)c1CN1C[C@@H](F)C[C@H](CO)C1 ZINC001139685825 936635723 /nfs/dbraw/zinc/63/57/23/936635723.db2.gz YDQIYPDNYINIDN-IUCAKERBSA-N -1 0 275.270 1.823 20 10 CDCDRM [O-]c1cc(F)cc(F)c1CN1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001140582771 936727095 /nfs/dbraw/zinc/72/70/95/936727095.db2.gz MPLZEZKNGKCJHE-JBCWJZNQSA-N -1 0 299.317 1.642 20 10 CDCDRM C[C@@]1(O)CCN(Cc2c([O-])cc(F)cc2F)C[C@@H]1F ZINC001140583048 936728031 /nfs/dbraw/zinc/72/80/31/936728031.db2.gz UYNLWLWRFXDQPY-QWHCGFSZSA-N -1 0 275.270 1.965 20 10 CDCDRM Cc1nnc(CNC(=O)c2ccc(O)c(O)c2Cl)o1 ZINC001193247378 923564435 /nfs/dbraw/zinc/56/44/35/923564435.db2.gz WKOGIYDWWOFQPS-UHFFFAOYSA-N -1 0 283.671 1.373 20 10 CDCDRM O=C(N[C@@H]1CCC[C@@H]1O)c1cc(O)c([O-])c(Cl)c1 ZINC001193625931 923817637 /nfs/dbraw/zinc/81/76/37/923817637.db2.gz POKHLDRDSSHJNS-BDAKNGLRSA-N -1 0 271.700 1.394 20 10 CDCDRM C[C@@H]1COCC[C@@H]1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193634599 923823485 /nfs/dbraw/zinc/82/34/85/923823485.db2.gz YTHDBVZOOQQSCI-XCBNKYQSSA-N -1 0 285.727 1.906 20 10 CDCDRM C[Si](C)(C)CNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147889668 932620403 /nfs/dbraw/zinc/62/04/03/932620403.db2.gz OKCSPYCUDOFQNN-UHFFFAOYSA-N -1 0 289.411 1.773 20 10 CDCDRM O=C(N[C@@H]1C[C@@H]1C1CC1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147892212 932622371 /nfs/dbraw/zinc/62/23/71/932622371.db2.gz DLHIRNOEQVEFJT-CHWSQXEVSA-N -1 0 283.331 1.694 20 10 CDCDRM CC(=O)[C@H]1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)C1 ZINC001147883578 932628548 /nfs/dbraw/zinc/62/85/48/932628548.db2.gz GGZPARPPBZUSSP-LBPRGKRZSA-N -1 0 299.330 1.217 20 10 CDCDRM CN(C)c1cccc([N-]S(=O)(=O)c2cncc(N)c2)c1 ZINC000312289802 941347842 /nfs/dbraw/zinc/34/78/42/941347842.db2.gz LKYWSVMITRLFEJ-UHFFFAOYSA-N -1 0 292.364 1.531 20 10 CDCDRM COC(=O)[C@H]1CCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231561154 942928375 /nfs/dbraw/zinc/92/83/75/942928375.db2.gz PBOMURFOLFUMSD-LLVKDONJSA-N -1 0 279.292 1.228 20 10 CDCDRM O=C([O-])c1ccc(O)c(CN2C[C@@H](F)C[C@H]2CF)c1 ZINC001231561424 942928391 /nfs/dbraw/zinc/92/83/91/942928391.db2.gz UWDMYJOODONGDE-QWRGUYRKSA-N -1 0 271.263 1.972 20 10 CDCDRM O=C([O-])c1ccc(O)c(CN2CCC(F)(F)C2)c1 ZINC001231561305 942928791 /nfs/dbraw/zinc/92/87/91/942928791.db2.gz UNXVPJITBUVEDB-UHFFFAOYSA-N -1 0 257.236 1.931 20 10 CDCDRM COC(=O)C1CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233076882 943485825 /nfs/dbraw/zinc/48/58/25/943485825.db2.gz WUKYXQCDKDJGPL-UHFFFAOYSA-N -1 0 257.236 1.275 20 10 CDCDRM COc1ccc(CN2CCn3nncc3C2)c([O-])c1Cl ZINC001236805488 944573784 /nfs/dbraw/zinc/57/37/84/944573784.db2.gz AFSHZZBIKDYXHM-UHFFFAOYSA-N -1 0 294.742 1.662 20 10 CDCDRM CC[C@H](C(=O)[O-])N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001589433236 954663388 /nfs/dbraw/zinc/66/33/88/954663388.db2.gz CRUSRSAPEMAEAB-BREXMAIKSA-N -1 0 279.292 1.433 20 10 CDCDRM C[C@@H]([NH2+]CCC(=O)[O-])c1cc([N+](=O)[O-])ccc1[O-] ZINC001589126872 956166312 /nfs/dbraw/zinc/16/63/12/956166312.db2.gz OBGNKCWZCWOUHC-SSDOTTSWSA-N -1 0 254.242 1.426 20 10 CDCDRM CCN(CC)c1ccc(CN(C)C(=O)CC(=O)[O-])cc1 ZINC001596289845 983710226 /nfs/dbraw/zinc/71/02/26/983710226.db2.gz QKFRAZGNMJIGJY-UHFFFAOYSA-N -1 0 278.352 1.966 20 10 CDCDRM C[C@H](NS(=O)(=O)C1(C(=O)[O-])CCC1)c1ccccc1O ZINC001599901376 984835898 /nfs/dbraw/zinc/83/58/98/984835898.db2.gz DSYAQJFGNBTEJT-VIFPVBQESA-N -1 0 299.348 1.380 20 10 CDCDRM CC(=O)C(=O)COC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001589021557 985011675 /nfs/dbraw/zinc/01/16/75/985011675.db2.gz PADLKJUENIXLKS-UHFFFAOYSA-N -1 0 278.260 1.019 20 10 CDCDRM C[C@@H](NC(=O)CCSCC(=O)[O-])c1ccccc1O ZINC001599838117 988777185 /nfs/dbraw/zinc/77/71/85/988777185.db2.gz SVYRWIWGNROJRX-SECBINFHSA-N -1 0 283.349 1.777 20 10 CDCDRM CCn1ncnc1CN[C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001605945469 1163721663 /nfs/dbraw/zinc/72/16/63/1163721663.db2.gz KZRJRQJALOTDLH-VIFPVBQESA-N -1 0 290.323 1.553 20 10 CDCDRM COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc(Cl)c1[O-] ZINC000188613632 357917503 /nfs/dbraw/zinc/91/75/03/357917503.db2.gz UREQYHPJCYFKLL-GXSJLCMTSA-N -1 0 285.727 1.154 20 10 CDCDRM Cc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2O)c(O)c1O ZINC000288228753 369420959 /nfs/dbraw/zinc/42/09/59/369420959.db2.gz DDRVOAMTEIFBDZ-GHMZBOCLSA-N -1 0 265.309 1.392 20 10 CDCDRM Cc1nc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cn1C ZINC000148634242 263039718 /nfs/dbraw/zinc/03/97/18/263039718.db2.gz PYQBLMFEWSFSIY-UHFFFAOYSA-N -1 0 281.337 1.543 20 10 CDCDRM CCn1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cn1 ZINC000732529966 575091113 /nfs/dbraw/zinc/09/11/13/575091113.db2.gz FHFGGTLETXFSBC-JYRVWZFOSA-N -1 0 282.303 1.364 20 10 CDCDRM CN(CCO)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000746988530 576855281 /nfs/dbraw/zinc/85/52/81/576855281.db2.gz QJBZKPQCCCXDNN-HYXAFXHYSA-N -1 0 266.253 1.121 20 10 CDCDRM O=C([O-])CCNC(=O)NCCCSc1nccs1 ZINC000819490284 597015410 /nfs/dbraw/zinc/01/54/10/597015410.db2.gz XRBYBXBLNOGVMG-UHFFFAOYSA-N -1 0 289.382 1.399 20 10 CDCDRM CN(C)c1ccc(CNC(=O)NCCC(=O)[O-])cc1F ZINC000818390809 597227846 /nfs/dbraw/zinc/22/78/46/597227846.db2.gz PPGKJQIKHIGYIT-UHFFFAOYSA-N -1 0 283.303 1.166 20 10 CDCDRM CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-] ZINC000820411812 598220724 /nfs/dbraw/zinc/22/07/24/598220724.db2.gz XZYLFVNEQRYHND-XTULLQBASA-N -1 0 265.265 1.090 20 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-1 0 291.351 1.415 20 10 CDCDRM CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000911343658 629246901 /nfs/dbraw/zinc/24/69/01/629246901.db2.gz RZHNBJKGRWCXDN-WCBMZHEXSA-N -1 0 281.308 1.689 20 10 CDCDRM CC[C@H](C(=O)[O-])C(=O)NCc1ccc(OC)cc1O ZINC000911716641 629432808 /nfs/dbraw/zinc/43/28/08/629432808.db2.gz CLRDGDKNVJWLQZ-JTQLQIEISA-N -1 0 267.281 1.128 20 10 CDCDRM CN(C)c1ccc(CNc2nccc(C(=O)[O-])n2)cc1F ZINC001606055120 1163756580 /nfs/dbraw/zinc/75/65/80/1163756580.db2.gz BVWZSJXCEKNSDJ-UHFFFAOYSA-N -1 0 290.298 1.992 20 10 CDCDRM O=C([O-])[C@H](CC1CCOCC1)NC(=O)C1=CC(=O)CS1 ZINC001608395328 1164506517 /nfs/dbraw/zinc/50/65/17/1164506517.db2.gz SXIVGRCIWMCRKY-JTQLQIEISA-N -1 0 299.348 1.453 20 10 CDCDRM Cc1ccc(O)c(CNC(=O)c2ccc(C(=O)[O-])cn2)c1 ZINC001600465232 1174484667 /nfs/dbraw/zinc/48/46/67/1174484667.db2.gz UFUWPUQURVSSEW-UHFFFAOYSA-N -1 0 286.287 1.724 20 10 CDCDRM O=C([O-])c1cccc(NC(=O)NCc2ccccc2O)n1 ZINC001601543733 1174897336 /nfs/dbraw/zinc/89/73/36/1174897336.db2.gz 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/nfs/dbraw/zinc/24/23/23/601242323.db2.gz WYAXJXSCVLPGKB-UHFFFAOYSA-N -1 0 299.330 1.776 20 10 CDCDRM COC[C@H](C)CN(C)c1ccc(OCC(=O)[O-])cc1 ZINC000902017883 618495097 /nfs/dbraw/zinc/49/50/97/618495097.db2.gz YPHOESBHEDPXTA-LLVKDONJSA-N -1 0 267.325 1.869 20 10 CDCDRM COC(=O)[C@H](NCc1cc(F)cc(F)c1[O-])C1CC1 ZINC000894537322 618948093 /nfs/dbraw/zinc/94/80/93/618948093.db2.gz COACVYULIPMQKS-LLVKDONJSA-N -1 0 271.263 1.712 20 10 CDCDRM O=C1CCCN1C1CN(Cc2cccc(Cl)c2[O-])C1 ZINC000897783671 621120075 /nfs/dbraw/zinc/12/00/75/621120075.db2.gz HOEGCUWTQNKNBU-UHFFFAOYSA-N -1 0 280.755 1.852 20 10 CDCDRM COc1ccc(O)c([C@@H](C)NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)c1 ZINC000901609179 624372412 /nfs/dbraw/zinc/37/24/12/624372412.db2.gz NKUCPIQHBLYARO-XWRVAKJBSA-N -1 0 293.319 1.689 20 10 CDCDRM CN(Cc1ccccc1O)C(=O)C1(C(=O)[O-])CCOCC1 ZINC000911230249 629215609 /nfs/dbraw/zinc/21/56/09/629215609.db2.gz IDUCJVOJCHFRBS-UHFFFAOYSA-N -1 0 293.319 1.232 20 10 CDCDRM CC[C@H](C(=O)[O-])C(=O)NCc1ccc(N(C)C)cc1C ZINC000911409380 629277762 /nfs/dbraw/zinc/27/77/62/629277762.db2.gz HSWVDDMBRUFEIX-ZDUSSCGKSA-N -1 0 278.352 1.788 20 10 CDCDRM CC(C)SCC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911486488 629301310 /nfs/dbraw/zinc/30/13/10/629301310.db2.gz OFVSHMGOCQAVAD-UHFFFAOYSA-N -1 0 297.376 1.947 20 10 CDCDRM CCO[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911486543 629301372 /nfs/dbraw/zinc/30/13/72/629301372.db2.gz PBSRSJBORARKBE-YPMHNXCESA-N -1 0 293.319 1.230 20 10 CDCDRM O=C([O-])C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000819370619 633064840 /nfs/dbraw/zinc/06/48/40/633064840.db2.gz ANFTWZIBQNTOCV-QMMMGPOBSA-N -1 0 269.322 1.781 20 10 CDCDRM CN(C)c1ccc(CN(C(=O)CC(=O)[O-])C2CC2)cc1 ZINC001606053903 1163756342 /nfs/dbraw/zinc/75/63/42/1163756342.db2.gz GLOZSJQHOMXFCK-UHFFFAOYSA-N -1 0 276.336 1.718 20 10 CDCDRM O=C([O-])c1ccc(NCCc2ccc(O)c(O)c2)nc1 ZINC001610835044 1165458852 /nfs/dbraw/zinc/45/88/52/1165458852.db2.gz IKIAWHLVISEGGT-UHFFFAOYSA-N -1 0 274.276 1.846 20 10 CDCDRM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)c(O)c1O ZINC001600334558 1174446250 /nfs/dbraw/zinc/44/62/50/1174446250.db2.gz CGXNDXUPYRSEKC-NXEZZACHSA-N -1 0 293.319 1.732 20 10 CDCDRM O=C([O-])[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC001602203298 1175162570 /nfs/dbraw/zinc/16/25/70/1175162570.db2.gz WDIHOHQDYJPYKJ-GXSJLCMTSA-N -1 0 289.690 1.516 20 10 CDCDRM O=C([O-])c1ccc(CC(=O)N2Cc3cccc(O)c3C2)cn1 ZINC001602334231 1175208982 /nfs/dbraw/zinc/20/89/82/1175208982.db2.gz KKWDNZGTGPHZGT-UHFFFAOYSA-N -1 0 298.298 1.570 20 10 CDCDRM CCCN(CC(=O)[O-])C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001603661758 1175589737 /nfs/dbraw/zinc/58/97/37/1175589737.db2.gz NNHWRSAPDJRIFD-UHFFFAOYSA-N -1 0 292.295 1.786 20 10 CDCDRM Cc1nc(S(=O)(=O)[N-]c2cc(C)c(O)cc2C)cn1C ZINC000235900688 1178244410 /nfs/dbraw/zinc/24/44/10/1178244410.db2.gz KYNULVBQKXSIFU-UHFFFAOYSA-N -1 0 295.364 1.852 20 10 CDCDRM C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)C[C@H]1CC(=O)[O-] ZINC001607434218 1164179540 /nfs/dbraw/zinc/17/95/40/1164179540.db2.gz GDDJQFMIFKANDT-NXEZZACHSA-N -1 0 277.324 1.843 20 10 CDCDRM O=C([O-])C[C@]1([NH2+]Cc2cccc(F)c2[O-])CCOC1 ZINC001608688277 1164605407 /nfs/dbraw/zinc/60/54/07/1164605407.db2.gz BFKVEVABPPHIIR-CYBMUJFWSA-N -1 0 269.272 1.255 20 10 CDCDRM O=S1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708415268 730738318 /nfs/dbraw/zinc/73/83/18/730738318.db2.gz VZVHYFWRYBPNHC-UHFFFAOYSA-N -1 0 261.293 1.235 20 10 CDCDRM C[C@H](O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684696 731158017 /nfs/dbraw/zinc/15/80/17/731158017.db2.gz UPUCOXJTVKPYFW-YFKPBYRVSA-N -1 0 264.108 1.696 20 10 CDCDRM O=C1NCC2(CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)O1 ZINC000877461031 731613173 /nfs/dbraw/zinc/61/31/73/731613173.db2.gz WRLSHICYUZLAOZ-UHFFFAOYSA-N -1 0 298.289 1.745 20 10 CDCDRM C[C@H](CC(=O)[O-])CC(=O)N(C)Cc1ccccc1O ZINC000061836736 731859903 /nfs/dbraw/zinc/85/99/03/731859903.db2.gz KOGUNYTYVVRQEZ-JTQLQIEISA-N -1 0 265.309 1.852 20 10 CDCDRM CCOC(=O)c1[n-]n(-c2cccc(F)c2F)c(=O)c1C ZINC000871956651 732307237 /nfs/dbraw/zinc/30/72/37/732307237.db2.gz YMZMUBARZXLQGE-ZETCQYMHSA-N -1 0 282.246 1.867 20 10 CDCDRM CC(=O)c1cc(F)cc(C[NH2+][C@H](C)[C@@H](C)C(=O)[O-])c1O ZINC000846228866 732517958 /nfs/dbraw/zinc/51/79/58/732517958.db2.gz RSDPALRJPRWODM-HTQZYQBOSA-N -1 0 283.299 1.933 20 10 CDCDRM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)cs1 ZINC000070156425 732765368 /nfs/dbraw/zinc/76/53/68/732765368.db2.gz JHMKCDUIKNWMLR-UHFFFAOYSA-N -1 0 299.329 1.953 20 10 CDCDRM COc1cc(N(C)CCC(=O)[O-])c([N+](=O)[O-])cc1OC ZINC000158096244 733139860 /nfs/dbraw/zinc/13/98/60/733139860.db2.gz FLHBWWSHZCBRGT-UHFFFAOYSA-N -1 0 284.268 1.523 20 10 CDCDRM O=S(=O)([N-]c1ccc(O)cc1O)c1ccoc1 ZINC001188569209 921071564 /nfs/dbraw/zinc/07/15/64/921071564.db2.gz CEDOHJXSMSZRHP-UHFFFAOYSA-N -1 0 255.251 1.492 20 10 CDCDRM [O-]c1cc(F)cc(F)c1CN1CCO[C@H]2C[C@@H](CO)C[C@H]21 ZINC001140582772 936727355 /nfs/dbraw/zinc/72/73/55/936727355.db2.gz MPLZEZKNGKCJHE-RJIBLYRGSA-N -1 0 299.317 1.642 20 10 CDCDRM CN1CCN(C(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193589147 923784518 /nfs/dbraw/zinc/78/45/18/923784518.db2.gz DVXXXVRMRWEGEH-UHFFFAOYSA-N -1 0 270.716 1.139 20 10 CDCDRM O=C(NC[C@@H](O)c1ccco1)c1cc(O)c([O-])c(Cl)c1 ZINC001193589966 923787979 /nfs/dbraw/zinc/78/79/79/923787979.db2.gz SWMJBBDYJDLLKF-SNVBAGLBSA-N -1 0 297.694 1.808 20 10 CDCDRM CC(C)(C)N1CC(NC(=O)c2cc(O)c([O-])c(Cl)c2)C1 ZINC001193634640 923824110 /nfs/dbraw/zinc/82/41/10/923824110.db2.gz ZGZNNUTVXAJUKZ-UHFFFAOYSA-N -1 0 298.770 1.964 20 10 CDCDRM COc1ncccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001194668012 924308759 /nfs/dbraw/zinc/30/87/59/924308759.db2.gz SGEGWUWPPZNZKX-UHFFFAOYSA-N -1 0 280.305 1.597 20 10 CDCDRM CCN1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1=O ZINC001237798706 944954397 /nfs/dbraw/zinc/95/43/97/944954397.db2.gz LUQNGYBXRHIEIE-UHFFFAOYSA-N -1 0 286.734 1.849 20 10 CDCDRM Cn1ccc2c1ncnc2-c1cncc(C(=O)[O-])c1 ZINC001241797885 946471280 /nfs/dbraw/zinc/47/12/80/946471280.db2.gz OKDCLEREJQWLRB-UHFFFAOYSA-N -1 0 254.249 1.729 20 10 CDCDRM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(O)c(O)c1 ZINC001594707958 956856139 /nfs/dbraw/zinc/85/61/39/956856139.db2.gz XVTKYPLWFOZANM-ZJUUUORDSA-N -1 0 279.292 1.010 20 10 CDCDRM Cc1ccc(O)c(CNC(=O)CCCCC(=O)[O-])c1 ZINC001594373146 958559511 /nfs/dbraw/zinc/55/95/11/958559511.db2.gz DSRSBHNRQFOKOX-UHFFFAOYSA-N -1 0 265.309 1.962 20 10 CDCDRM O=C([O-])C[C@@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000128838092 958683523 /nfs/dbraw/zinc/68/35/23/958683523.db2.gz BAPDTAOHWAOFSK-SECBINFHSA-N -1 0 285.727 1.721 20 10 CDCDRM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573608617 959467774 /nfs/dbraw/zinc/46/77/74/959467774.db2.gz UDRDAJRIMFSBCH-DVVUODLYSA-N -1 0 293.319 1.256 20 10 CDCDRM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001573608618 959467898 /nfs/dbraw/zinc/46/78/98/959467898.db2.gz UDRDAJRIMFSBCH-INTQDDNPSA-N -1 0 293.319 1.256 20 10 CDCDRM O=C([O-])[C@@H]1C=C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001339241088 962262449 /nfs/dbraw/zinc/26/24/49/962262449.db2.gz MZTOUBIDSHDHCP-XCBNKYQSSA-N -1 0 269.247 1.789 20 10 CDCDRM Cc1ccc(O)c(CNC(=O)NCCCC(=O)[O-])c1 ZINC001341258856 963340051 /nfs/dbraw/zinc/34/00/51/963340051.db2.gz XIFDEDSEQIVPSA-UHFFFAOYSA-N -1 0 266.297 1.365 20 10 CDCDRM O=C([O-])CCNC(=O)NCc1cc(Cl)ccc1O ZINC001341369030 963387393 /nfs/dbraw/zinc/38/73/93/963387393.db2.gz REEWOLRVSROOFP-UHFFFAOYSA-N -1 0 272.688 1.320 20 10 CDCDRM Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(O)c1O ZINC001594344729 970209726 /nfs/dbraw/zinc/20/97/26/970209726.db2.gz NKUKUVCGHDRHDF-SCZZXKLOSA-N -1 0 293.319 1.589 20 10 CDCDRM O=C([O-])C1(C(=O)NCc2cccc(O)c2O)CC=CC1 ZINC001605930373 972854764 /nfs/dbraw/zinc/85/47/64/972854764.db2.gz XVCVJYKPVPWGGI-UHFFFAOYSA-N -1 0 277.276 1.135 20 10 CDCDRM O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605668759 974072080 /nfs/dbraw/zinc/07/20/80/974072080.db2.gz VTTTXSAZGIPXFJ-PGMMKWOSSA-N -1 0 277.276 1.090 20 10 CDCDRM C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)[O-] ZINC001574062925 983163186 /nfs/dbraw/zinc/16/31/86/983163186.db2.gz JZLLUOFYJLVZMJ-ZCFIWIBFSA-N -1 0 264.241 1.052 20 10 CDCDRM CC[C@@H](C(=O)[O-])C(=O)NCc1cccc(Cl)c1O ZINC001604877912 1163363155 /nfs/dbraw/zinc/36/31/55/1163363155.db2.gz DHLXKCXUUIKYMX-MRVPVSSYSA-N -1 0 271.700 1.773 20 10 CDCDRM CC[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1[O-] ZINC000180037329 357238120 /nfs/dbraw/zinc/23/81/20/357238120.db2.gz KTPBATJDIMNBBP-NSHDSACASA-N -1 0 268.744 1.756 20 10 CDCDRM Cc1cc(C(=O)NCCC(=O)[O-])c(C)n1-c1ccccn1 ZINC000262194384 526266060 /nfs/dbraw/zinc/26/60/60/526266060.db2.gz HFNAVPZZMZXELY-UHFFFAOYSA-N -1 0 287.319 1.694 20 10 CDCDRM Cc1cc(N(C)C)ccc1CNC(=O)CCNC(=O)[O-] ZINC000738231983 576051375 /nfs/dbraw/zinc/05/13/75/576051375.db2.gz WSUCXPOFJNIOST-UHFFFAOYSA-N -1 0 279.340 1.335 20 10 CDCDRM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(F)c1 ZINC000755590332 576950676 /nfs/dbraw/zinc/95/06/76/576950676.db2.gz KAFIWVCFJLAURS-WQLSENKSSA-N -1 0 298.273 1.993 20 10 CDCDRM O=C([O-])CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000819490278 597216441 /nfs/dbraw/zinc/21/64/41/597216441.db2.gz WSBCCGGGSSWVKQ-UHFFFAOYSA-N -1 0 291.351 1.561 20 10 CDCDRM Cc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c(O)c1O ZINC000821064064 597670023 /nfs/dbraw/zinc/67/00/23/597670023.db2.gz OATCARBBARTDAN-JTQLQIEISA-N -1 0 293.319 1.733 20 10 CDCDRM CN(C)c1ccc(CNC(=O)NCCCCC(=O)[O-])cc1 ZINC000820548084 598164896 /nfs/dbraw/zinc/16/48/96/598164896.db2.gz WNDVTTMPTLSFNF-UHFFFAOYSA-N -1 0 293.367 1.807 20 10 CDCDRM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000821508628 598220679 /nfs/dbraw/zinc/22/06/79/598220679.db2.gz CCFDIZNLVIYQLE-XCRNYIDWSA-N -1 0 277.276 1.044 20 10 CDCDRM CC[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-] ZINC000833639129 605528766 /nfs/dbraw/zinc/52/87/66/605528766.db2.gz ZBRAHPUYJDHJQQ-HZRUHFOJSA-N -1 0 279.292 1.481 20 10 CDCDRM CC(C)(CCC(=O)[O-])C(=O)NCc1ccccc1O ZINC000911330928 629236689 /nfs/dbraw/zinc/23/66/89/629236689.db2.gz UHIOSTJIELTYKH-UHFFFAOYSA-N -1 0 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O=C([O-])C[C@@]1([NH2+]Cc2cccc(F)c2[O-])CCOC1 ZINC001608688278 1164605064 /nfs/dbraw/zinc/60/50/64/1164605064.db2.gz BFKVEVABPPHIIR-ZDUSSCGKSA-N -1 0 269.272 1.255 20 10 CDCDRM Cc1c(NCc2ccccc2O)cnn1CC(=O)[O-] ZINC001610425862 1165313844 /nfs/dbraw/zinc/31/38/44/1165313844.db2.gz CXDAJTUXOOXYSR-UHFFFAOYSA-N -1 0 261.281 1.594 20 10 CDCDRM c1csc(Sc2ccnc(-c3nnn[n-]3)n2)n1 ZINC001593562489 1174139297 /nfs/dbraw/zinc/13/92/97/1174139297.db2.gz LOQKWNOMBXWFEQ-UHFFFAOYSA-N -1 0 263.311 1.264 20 10 CDCDRM O=C([O-])c1cnc(SC[C@H](O)C2(O)CCCC2)s1 ZINC001602536970 1175277765 /nfs/dbraw/zinc/27/77/65/1175277765.db2.gz JAGISJIIKMXHDW-QMMMGPOBSA-N -1 0 289.378 1.599 20 10 CDCDRM C/C(=C/CNC(=O)N1Cc2cccc(O)c2C1)C(=O)[O-] ZINC001602973058 1175467752 /nfs/dbraw/zinc/46/77/52/1175467752.db2.gz OYABRRWDYHKVOK-UITAMQMPSA-N -1 0 276.292 1.448 20 10 CDCDRM COc1ccc(CNC(=O)NC2CC(C(=O)[O-])C2)c(O)c1 ZINC001607257577 1164137765 /nfs/dbraw/zinc/13/77/65/1164137765.db2.gz BVYISZNVVUSBTK-UHFFFAOYSA-N -1 0 294.307 1.063 20 10 CDCDRM CN(C)C(=O)N1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876575497 1165873812 /nfs/dbraw/zinc/87/38/12/1165873812.db2.gz GQNSNMOTZBKDSF-UHFFFAOYSA-N -1 0 299.321 1.470 20 10 CDCDRM Nc1cncc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC001175043787 913442684 /nfs/dbraw/zinc/44/26/84/913442684.db2.gz DYNPGFDVNREOCK-UHFFFAOYSA-N -1 0 265.294 1.170 20 10 CDCDRM O=C(NCC(=O)c1ccc(O)c(O)c1)Nc1nccs1 ZINC001189403356 921477753 /nfs/dbraw/zinc/47/77/53/921477753.db2.gz KNKVTZLIXOQSIQ-UHFFFAOYSA-N -1 0 293.304 1.559 20 10 CDCDRM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCO[C@H]2C[C@H]21 ZINC001139129591 936600040 /nfs/dbraw/zinc/60/00/40/936600040.db2.gz AKYOEFRRBFIHND-OCCSQVGLSA-N -1 0 287.315 1.780 20 10 CDCDRM Cc1sc([N-]S(=O)(=O)C2CCC2)c(C(N)=O)c1C ZINC001188104507 920834038 /nfs/dbraw/zinc/83/40/38/920834038.db2.gz JGJVDEYTCGHWBP-UHFFFAOYSA-N -1 0 288.394 1.758 20 10 CDCDRM Cc1ccc(C(=O)NCC(=O)c2ccc(O)c(O)c2)[nH]1 ZINC001193917315 923981640 /nfs/dbraw/zinc/98/16/40/923981640.db2.gz NYWKKPHQOUBSES-UHFFFAOYSA-N -1 0 274.276 1.347 20 10 CDCDRM C[C@H]1CO[C@@H](CO)CN1Cc1cc(Cl)cc(F)c1[O-] ZINC000775742161 924974533 /nfs/dbraw/zinc/97/45/33/924974533.db2.gz SGWWUXCLYQBAAY-GZMMTYOYSA-N -1 0 289.734 1.766 20 10 CDCDRM Cc1c(CN(C)c2ccc(OCC(=O)[O-])cc2)cnn1C ZINC000846279815 932005298 /nfs/dbraw/zinc/00/52/98/932005298.db2.gz MHADBSVGVUGNKG-UHFFFAOYSA-N -1 0 289.335 1.828 20 10 CDCDRM Nc1ccc(CC(=O)N(CC(=O)[O-])C2CCC2)cc1 ZINC000846757534 932121816 /nfs/dbraw/zinc/12/18/16/932121816.db2.gz CUAIADBRAIQZCT-UHFFFAOYSA-N -1 0 262.309 1.277 20 10 CDCDRM O=C(CNC(=O)C1CC=CC1)c1ccc(O)c(O)c1 ZINC001146703847 932278613 /nfs/dbraw/zinc/27/86/13/932278613.db2.gz WYYXLMBOOIPUTI-UHFFFAOYSA-N -1 0 261.277 1.363 20 10 CDCDRM O=C(Nc1ccnnc1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001147878687 932626453 /nfs/dbraw/zinc/62/64/53/932626453.db2.gz OTZOCHCZZVWDNB-UHFFFAOYSA-N -1 0 281.275 1.208 20 10 CDCDRM O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cccc(O)c1O ZINC001148212150 932669005 /nfs/dbraw/zinc/66/90/05/932669005.db2.gz ONNCZSMYNTWTAD-UHFFFAOYSA-N -1 0 281.655 1.499 20 10 CDCDRM COC(=O)[C@@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231447832 942894949 /nfs/dbraw/zinc/89/49/49/942894949.db2.gz WRTKXEOHMUABFW-LBPRGKRZSA-N -1 0 293.319 1.618 20 10 CDCDRM CCOC(=O)[C@@H]1CCCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231563571 942928839 /nfs/dbraw/zinc/92/88/39/942928839.db2.gz DFLKRHPHAYYLRI-LBPRGKRZSA-N -1 0 293.319 1.618 20 10 CDCDRM [O-]c1c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)ccc(F)c1F ZINC001233074864 943485343 /nfs/dbraw/zinc/48/53/43/943485343.db2.gz YRIZLERXDLJHQX-WPRPVWTQSA-N -1 0 261.243 1.575 20 10 CDCDRM COC(=O)CN(C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236807830 944577273 /nfs/dbraw/zinc/57/72/73/944577273.db2.gz SPUGDBJADMUEMX-UHFFFAOYSA-N -1 0 273.716 1.659 20 10 CDCDRM Cn1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)n1 ZINC001259943259 945731078 /nfs/dbraw/zinc/73/10/78/945731078.db2.gz LVBBBXRJABAQOW-UHFFFAOYSA-N -1 0 271.273 1.066 20 10 CDCDRM Cc1cc(O)cc(C)c1[N-]S(=O)(=O)c1cn[nH]c1 ZINC001260961222 945926282 /nfs/dbraw/zinc/92/62/82/945926282.db2.gz KOMPRUMVJBEBSW-UHFFFAOYSA-N -1 0 267.310 1.533 20 10 CDCDRM O=C1OC[C@H]2CN(Cc3cc(F)cc(F)c3[O-])CCN12 ZINC001262109127 946440288 /nfs/dbraw/zinc/44/02/88/946440288.db2.gz KBSPMJIPQAQLNV-SNVBAGLBSA-N -1 0 284.262 1.307 20 10 CDCDRM O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC001595181225 952252178 /nfs/dbraw/zinc/25/21/78/952252178.db2.gz DSHQCTOQOHOGNV-NXEZZACHSA-N -1 0 283.711 1.773 20 10 CDCDRM C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-] ZINC001589067458 955763495 /nfs/dbraw/zinc/76/34/95/955763495.db2.gz NCVVBVGQSNAYKO-YUMQZZPRSA-N -1 0 268.269 1.672 20 10 CDCDRM C[C@@](C[NH2+]Cc1ccc2c(c1)CCO2)(CC(=O)[O-])C(=O)[O-] ZINC001334853656 959411837 /nfs/dbraw/zinc/41/18/37/959411837.db2.gz ULAVKJJPQJYCTF-HNNXBMFYSA-N -1 0 293.319 1.277 20 10 CDCDRM O=C([O-])[C@@H](C(=O)NCc1cc(O)ccc1O)C1CCCC1 ZINC001605898189 972711103 /nfs/dbraw/zinc/71/11/03/972711103.db2.gz OQZJNBJOUWPICE-CYBMUJFWSA-N -1 0 293.319 1.605 20 10 CDCDRM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001603381955 972967556 /nfs/dbraw/zinc/96/75/56/972967556.db2.gz VSNFCZXGXJKFLQ-MWLCHTKSSA-N -1 0 293.319 1.352 20 10 CDCDRM Nc1ccc(Cc2nc(C(=O)OCC(=O)[O-])cs2)cc1 ZINC001605654547 974036369 /nfs/dbraw/zinc/03/63/69/974036369.db2.gz GPNJIKRTWIUIKZ-UHFFFAOYSA-N -1 0 292.316 1.558 20 10 CDCDRM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708215952 977418539 /nfs/dbraw/zinc/41/85/39/977418539.db2.gz OJNNNCBOIMQHFR-CYBMUJFWSA-N -1 0 271.263 1.967 20 10 CDCDRM CCCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)C(=O)[O-] ZINC001595828005 982714860 /nfs/dbraw/zinc/71/48/60/982714860.db2.gz XPMMITYIYHJUPQ-SECBINFHSA-N -1 0 281.308 1.732 20 10 CDCDRM CC[C@H](C)NC(=O)COc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001594992192 982861706 /nfs/dbraw/zinc/86/17/06/982861706.db2.gz TZHZMBSJYHUCAB-JTQLQIEISA-N -1 0 294.351 1.744 20 10 CDCDRM C[C@H](NC(=O)NCC(C)(C)C(=O)[O-])c1ccccc1O ZINC001599894536 984736797 /nfs/dbraw/zinc/73/67/97/984736797.db2.gz YITFIPJKOSXYJA-VIFPVBQESA-N -1 0 280.324 1.863 20 10 CDCDRM CN(C[C@H]1CCC(=O)O1)c1ccc(OCC(=O)[O-])cc1 ZINC001598453496 991915774 /nfs/dbraw/zinc/91/57/74/991915774.db2.gz MKKJEFQAZDBUSJ-GFCCVEGCSA-N -1 0 279.292 1.292 20 10 CDCDRM C[C@H](O)CCOc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC001593446280 995312093 /nfs/dbraw/zinc/31/20/93/995312093.db2.gz CZUWRYCKBNKIBT-VIFPVBQESA-N -1 0 253.298 1.601 20 10 CDCDRM C[C@]1(NCc2cc(Cl)c(F)cc2[O-])CCOC1=O ZINC000293808595 378613725 /nfs/dbraw/zinc/61/37/25/378613725.db2.gz DWASBJDXQKCRGN-LBPRGKRZSA-N -1 0 273.691 1.980 20 10 CDCDRM CCn1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cn1 ZINC000732529967 575091084 /nfs/dbraw/zinc/09/10/84/575091084.db2.gz FHFGGTLETXFSBC-MDWZMJQESA-N -1 0 282.303 1.364 20 10 CDCDRM CN1c2ccccc2C(=O)N[C@H]1c1cc(C(=O)[O-])ccc1O ZINC000737529936 575984349 /nfs/dbraw/zinc/98/43/49/575984349.db2.gz OFYYKYRYNVTEIA-CQSZACIVSA-N -1 0 298.298 1.969 20 10 CDCDRM COc1ccc(O)c([C@@H](C)NC(=O)CCCNC(=O)[O-])c1 ZINC000738041057 576033610 /nfs/dbraw/zinc/03/36/10/576033610.db2.gz GFHWAPOPFOOKAW-SECBINFHSA-N -1 0 296.323 1.626 20 10 CDCDRM CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc(F)c1[O-] ZINC000833505746 605481512 /nfs/dbraw/zinc/48/15/12/605481512.db2.gz NAOBPQBXHBLITF-LBPRGKRZSA-N -1 0 285.315 1.841 20 10 CDCDRM CC(C)C(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911485286 629300633 /nfs/dbraw/zinc/30/06/33/629300633.db2.gz VOEMIAIMJQGYLY-UHFFFAOYSA-N -1 0 251.282 1.461 20 10 CDCDRM CCCOCC(=O)N(CC(=O)[O-])Cc1ccccc1O ZINC000911485782 629300777 /nfs/dbraw/zinc/30/07/77/629300777.db2.gz LETJAGWNZKOHFS-UHFFFAOYSA-N -1 0 281.308 1.232 20 10 CDCDRM O=C([O-])c1ccoc1S(=O)(=O)NCc1ccccc1O ZINC001608956156 1164696748 /nfs/dbraw/zinc/69/67/48/1164696748.db2.gz HLJDHQZWJMABKW-UHFFFAOYSA-N -1 0 297.288 1.162 20 10 CDCDRM O=C([O-])c1nccc(NCc2cccc(Cl)c2O)n1 ZINC001608999691 1164715924 /nfs/dbraw/zinc/71/59/24/1164715924.db2.gz NQKUCTFJDVVQCF-UHFFFAOYSA-N -1 0 279.683 1.568 20 10 CDCDRM CCN(c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CO ZINC001610003961 1165180977 /nfs/dbraw/zinc/18/09/77/1165180977.db2.gz FTZGLENDKUMARA-BXKUYDPTSA-N -1 0 294.307 1.900 20 10 CDCDRM COC(=O)c1cnc(S[C@H](C)C(=O)C(=O)[O-])s1 ZINC001610218270 1165255540 /nfs/dbraw/zinc/25/55/40/1165255540.db2.gz CHFASQBRNJMAFA-SCSAIBSYSA-N -1 0 275.307 1.064 20 10 CDCDRM CN(Cc1cn[nH]n1)Cc1cc(Cl)cc(F)c1[O-] ZINC001576863718 1171539160 /nfs/dbraw/zinc/53/91/60/1171539160.db2.gz ZDTWRCYLPMCBCA-UHFFFAOYSA-N -1 0 270.695 1.935 20 10 CDCDRM Cc1ccc(O)c(CN[C@@H](C(=O)[O-])c2ccn(C)n2)c1 ZINC001600464676 1174484680 /nfs/dbraw/zinc/48/46/80/1174484680.db2.gz INDYQJQNCFFLQA-CYBMUJFWSA-N -1 0 275.308 1.350 20 10 CDCDRM O=C([O-])C[C@H]1CSCCN1C(=O)C1=CC(=O)CS1 ZINC001601967704 1175091039 /nfs/dbraw/zinc/09/10/39/1175091039.db2.gz JIZKWBSKKVLCFV-ZETCQYMHSA-N -1 0 287.362 1.486 20 10 CDCDRM O=C([O-])c1coc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001602549510 1175289223 /nfs/dbraw/zinc/28/92/23/1175289223.db2.gz PNVWWDMHURBPPX-UHFFFAOYSA-N -1 0 277.232 1.319 20 10 CDCDRM O=C([O-])[C@]12C[C@H]1CCCN2C(=O)C1=CC(=O)CS1 ZINC001602622651 1175328605 /nfs/dbraw/zinc/32/86/05/1175328605.db2.gz FHORBMHHHNCMQQ-KRTXAFLBSA-N -1 0 267.306 1.533 20 10 CDCDRM O=C([O-])[C@@]1(O)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001608578472 1164553747 /nfs/dbraw/zinc/55/37/47/1164553747.db2.gz YRDIUTCVWDUHAF-GFCCVEGCSA-N -1 0 271.700 1.067 20 10 CDCDRM C[C@H](O)CN(C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844207195 783733570 /nfs/dbraw/zinc/73/35/70/783733570.db2.gz BZJPXCDXKMVLMR-RNEXMXFGSA-N -1 0 280.280 1.510 20 10 CDCDRM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])C[C@H](CO)O1 ZINC000787417898 784340223 /nfs/dbraw/zinc/34/02/23/784340223.db2.gz QSMZRMZAASOISG-LDYMZIIASA-N -1 0 289.734 1.766 20 10 CDCDRM CN(CCS(C)(=O)=O)Cc1cc(F)cc(F)c1[O-] ZINC000708386927 784379137 /nfs/dbraw/zinc/37/91/37/784379137.db2.gz YWVMPYKACKZPAC-UHFFFAOYSA-N -1 0 279.308 1.147 20 10 CDCDRM CC[C@@]1(O)CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000829071998 785442708 /nfs/dbraw/zinc/44/27/08/785442708.db2.gz 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