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JCCDMM CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)Cn1ccnc12 ZINC001176770596 1068374187 /nfs/dbraw/zinc/37/41/87/1068374187.db2.gz AXOWLSXRHGDVLT-GOSISDBHSA-N -1 1 457.487 0.665 20 10 JCCDMM CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)Cn1ccnc12 ZINC001176770597 1068374000 /nfs/dbraw/zinc/37/40/00/1068374000.db2.gz AXOWLSXRHGDVLT-SFHVURJKSA-N -1 1 457.487 0.665 20 10 JCCDMM Cc1nc(CC(=O)Nc2c(O)c(S(=O)(=O)[O-])c(O)c3c2C(=O)c2ccccc2C3=O)n[nH]1 ZINC001177439948 1068424883 /nfs/dbraw/zinc/42/48/83/1068424883.db2.gz PDZMLSUIZOEGQM-UHFFFAOYSA-N -1 1 458.408 0.728 20 10 JCCDMM COc1ccc(N2CCN(CCCNC(=O)c3cc4n(n3)CCCN(CC(=O)[O-])C4=O)CC2)cc1 ZINC001178371570 1068469354 /nfs/dbraw/zinc/46/93/54/1068469354.db2.gz IEGDJBMQIKGQLA-UHFFFAOYSA-N -1 1 484.557 0.764 20 10 JCCDMM CC(C)(C)OC(=O)N1CC2(C1)[C@@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)CCS2(=O)=O ZINC001179363589 1068564991 /nfs/dbraw/zinc/56/49/91/1068564991.db2.gz MEKOPYVJFFEVOA-CYBMUJFWSA-N -1 1 454.501 0.821 20 10 JCCDMM CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)NCC(=O)c1ccc([O-])c(O)c1)CCS2(=O)=O ZINC001179363590 1068565016 /nfs/dbraw/zinc/56/50/16/1068565016.db2.gz MEKOPYVJFFEVOA-ZDUSSCGKSA-N -1 1 454.501 0.821 20 10 JCCDMM CCN1CCN(C(=O)N[C@@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)c2ccccc2)C(=O)C1=O ZINC001183155465 1068824398 /nfs/dbraw/zinc/82/43/98/1068824398.db2.gz HCMZLEMSPRTART-LJQANCHMSA-N -1 1 468.466 0.538 20 10 JCCDMM Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001183777585 1068880976 /nfs/dbraw/zinc/88/09/76/1068880976.db2.gz WAXMTCYGXULKTG-KRWDZBQOSA-N -1 1 475.523 0.675 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3ccnc4c(N(CCO)CCO)cnn43)cc12 ZINC001184357200 1068916048 /nfs/dbraw/zinc/91/60/48/1068916048.db2.gz UXCJSFOQYOPORT-UHFFFAOYSA-N -1 1 496.524 0.711 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCn4c(COCC(=O)N(C)C)nnc4C3)cc12 ZINC001184358580 1068916176 /nfs/dbraw/zinc/91/61/76/1068916176.db2.gz ANYXIHMYXWQUOM-UHFFFAOYSA-N -1 1 498.540 0.478 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3Cc4[nH]nc(C(=O)N5CCOCC5)c4C3)cc12 ZINC001184358658 1068916518 /nfs/dbraw/zinc/91/65/18/1068916518.db2.gz BKEXWWRMPJQCIG-UHFFFAOYSA-N -1 1 481.509 0.977 20 10 JCCDMM CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)CN(C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C2 ZINC001184359003 1068916309 /nfs/dbraw/zinc/91/63/09/1068916309.db2.gz IRCXQPCEGSRCHT-HSZRJFAPSA-N -1 1 456.499 0.188 20 10 JCCDMM CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)CN(C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C2 ZINC001184359004 1068916236 /nfs/dbraw/zinc/91/62/36/1068916236.db2.gz IRCXQPCEGSRCHT-QHCPKHFHSA-N -1 1 456.499 0.188 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCN(CCCS(C)(=O)=O)CC3)cc12 ZINC001184359122 1068916600 /nfs/dbraw/zinc/91/66/00/1068916600.db2.gz JNQBHKROMCCLBI-UHFFFAOYSA-N -1 1 465.572 0.818 20 10 JCCDMM COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359141 1068916443 /nfs/dbraw/zinc/91/64/43/1068916443.db2.gz KHDQHRVIJZMLAV-AUUYWEPGSA-N -1 1 464.496 0.855 20 10 JCCDMM COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359142 1068916103 /nfs/dbraw/zinc/91/61/03/1068916103.db2.gz KHDQHRVIJZMLAV-IFXJQAMLSA-N -1 1 464.496 0.855 20 10 JCCDMM COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359143 1068915941 /nfs/dbraw/zinc/91/59/41/1068915941.db2.gz KHDQHRVIJZMLAV-KUHUBIRLSA-N -1 1 464.496 0.855 20 10 JCCDMM COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184359144 1068916385 /nfs/dbraw/zinc/91/63/85/1068916385.db2.gz KHDQHRVIJZMLAV-LIRRHRJNSA-N -1 1 464.496 0.855 20 10 JCCDMM COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1 ZINC001184359171 1068916355 /nfs/dbraw/zinc/91/63/55/1068916355.db2.gz KZZYOZZBOQAKPC-GOSISDBHSA-N -1 1 497.552 0.857 20 10 JCCDMM COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])C1 ZINC001184359172 1068915990 /nfs/dbraw/zinc/91/59/90/1068915990.db2.gz KZZYOZZBOQAKPC-SFHVURJKSA-N -1 1 497.552 0.857 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@H]4CCN(S(=O)(=O)N(C)C)C[C@@H]4C3)cc12 ZINC001184359423 1068916694 /nfs/dbraw/zinc/91/66/94/1068916694.db2.gz OIZPRGSLPNIYOL-AEFFLSMTSA-N -1 1 492.598 0.826 20 10 JCCDMM CC(=O)NCc1nnc2n1CCN(C(=O)CN(C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C2 ZINC001184359529 1068917436 /nfs/dbraw/zinc/91/74/36/1068917436.db2.gz PKQVXLAZRLBREN-UHFFFAOYSA-N -1 1 454.487 0.509 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)NCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)[O-])cc12 ZINC001184359796 1068917553 /nfs/dbraw/zinc/91/75/53/1068917553.db2.gz LKWKQMMCSDSRNW-KRWDZBQOSA-N -1 1 485.497 0.280 20 10 JCCDMM COCCN1CCO[C@H]2CN(C(=O)CN(C)Cc3cc4c(C)cc(=O)oc4cc3[O-])CC[C@H]2C1=O ZINC001184360131 1068917261 /nfs/dbraw/zinc/91/72/61/1068917261.db2.gz WKBMWRPURVWTHO-GCJKJVERSA-N -1 1 487.553 0.961 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCn4c(CN5CCOCC5)nnc4C3)cc12 ZINC001184360154 1068917144 /nfs/dbraw/zinc/91/71/44/1068917144.db2.gz WNGCOWWPROHIBD-UHFFFAOYSA-N -1 1 482.541 0.705 20 10 JCCDMM CC(=O)N1CC2(C1)CN(C(=O)CN(C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C[C@H]2C(=O)N(C)C ZINC001184360901 1068917057 /nfs/dbraw/zinc/91/70/57/1068917057.db2.gz LGIVNSKPKYFJKD-IBGZPJMESA-N -1 1 484.553 0.634 20 10 JCCDMM CC(=O)N1CC2(C1)CN(C(=O)CN(C)Cc1cc3c(C)cc(=O)oc3cc1[O-])C[C@@H]2C(=O)N(C)C ZINC001184360909 1068917490 /nfs/dbraw/zinc/91/74/90/1068917490.db2.gz LGIVNSKPKYFJKD-LJQANCHMSA-N -1 1 484.553 0.634 20 10 JCCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NCCCN3CCS(=O)(=O)CC3)cc12 ZINC001184361629 1068917676 /nfs/dbraw/zinc/91/76/76/1068917676.db2.gz YJARYGUIUUNDGY-UHFFFAOYSA-N -1 1 451.545 0.476 20 10 JCCDMM CCn1c(N)c(NC(=O)CN(C)Cc2cc3c(C)cc(=O)oc3cc2[O-])c(=O)n(CC)c1=O ZINC001184362284 1068917736 /nfs/dbraw/zinc/91/77/36/1068917736.db2.gz OKIWHXPBNRKGRZ-UHFFFAOYSA-N -1 1 457.487 0.823 20 10 JCCDMM CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c1[O-] ZINC001192081353 1069439155 /nfs/dbraw/zinc/43/91/55/1069439155.db2.gz WUDXINQSSLHSQA-HNNXBMFYSA-N -1 1 450.966 0.883 20 10 JCCDMM CC(=O)c1cc(Cl)cc(CN2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c1[O-] ZINC001192081354 1069439046 /nfs/dbraw/zinc/43/90/46/1069439046.db2.gz WUDXINQSSLHSQA-OAHLLOKOSA-N -1 1 450.966 0.883 20 10 JCCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001193220197 1069492859 /nfs/dbraw/zinc/49/28/59/1069492859.db2.gz RBEXCQXSFSXLQP-DZGCQCFKSA-N -1 1 480.930 0.914 20 10 JCCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001193225003 1069494834 /nfs/dbraw/zinc/49/48/34/1069494834.db2.gz FEBNMYFCIYTISY-NJZAAPMLSA-N -1 1 458.920 0.485 20 10 JCCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001193225004 1069494728 /nfs/dbraw/zinc/49/47/28/1069494728.db2.gz FEBNMYFCIYTISY-UXIGCNINSA-N -1 1 458.920 0.485 20 10 JCCDMM CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(O)c([O-])c1Cl)C(=O)NCC(N)=O ZINC001193226024 1069494803 /nfs/dbraw/zinc/49/48/03/1069494803.db2.gz WJFBJIOXQFZQCM-STQMWFEESA-N -1 1 454.911 0.488 20 10 JCCDMM NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2ccc(O)c([O-])c2Cl)cc1Cl ZINC001193228922 1069494926 /nfs/dbraw/zinc/49/49/26/1069494926.db2.gz ANTDZVWRTBVOKX-UHFFFAOYSA-N -1 1 456.285 0.952 20 10 JCCDMM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@@H]2[C@@H]1O)c1cc(O)c(O)c(Cl)c1 ZINC001193606191 1069512497 /nfs/dbraw/zinc/51/24/97/1069512497.db2.gz VXIJDXXHGPWXFS-FYXCSKNLSA-N -1 1 499.760 0.917 20 10 JCCDMM O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@@H]1O)c1cc(O)c(O)c(Cl)c1 ZINC001193606192 1069512575 /nfs/dbraw/zinc/51/25/75/1069512575.db2.gz VXIJDXXHGPWXFS-QGYZOODHSA-N -1 1 499.760 0.917 20 10 JCCDMM