smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(Cc1cccc(F)c1)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000302831626 971339181 /nfs/dbraw/zinc/33/91/81/971339181.db2.gz CCSOMHVHWAJDIO-OAQYLSRUSA-N 1 1 400.494 3.561 20 10 HHCDMO Cc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000303332952 971636885 /nfs/dbraw/zinc/63/68/85/971636885.db2.gz UBNSLSWPOKMAAC-HSZRJFAPSA-N 1 1 408.590 3.645 20 10 HHCDMO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000303793401 972031650 /nfs/dbraw/zinc/03/16/50/972031650.db2.gz QQJMFEDUKXAUPM-NBGIEHNGSA-N 1 1 421.585 3.707 20 10 HHCDMO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000303793401 972031656 /nfs/dbraw/zinc/03/16/56/972031656.db2.gz QQJMFEDUKXAUPM-NBGIEHNGSA-N 1 1 421.585 3.707 20 10 HHCDMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000007246364 961087369 /nfs/dbraw/zinc/08/73/69/961087369.db2.gz UAHSMSJOEIUALU-JOCHJYFZSA-N 1 1 411.546 3.565 20 10 HHCDMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000007246364 961087386 /nfs/dbraw/zinc/08/73/86/961087386.db2.gz UAHSMSJOEIUALU-JOCHJYFZSA-N 1 1 411.546 3.565 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000096970935 969067440 /nfs/dbraw/zinc/06/74/40/969067440.db2.gz OBTVMSGXFWDMSS-SFHVURJKSA-N 1 1 419.319 3.774 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000096970935 969067447 /nfs/dbraw/zinc/06/74/47/969067447.db2.gz OBTVMSGXFWDMSS-SFHVURJKSA-N 1 1 419.319 3.774 20 10 HHCDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000110443374 969669005 /nfs/dbraw/zinc/66/90/05/969669005.db2.gz KTTVONKQNITQPB-NRFANRHFSA-N 1 1 424.589 3.535 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C(F)(F)F)s2)C1 ZINC000435628065 980967171 /nfs/dbraw/zinc/96/71/71/980967171.db2.gz PHBMXXIZHOHGRF-UHFFFAOYSA-N 1 1 423.464 3.917 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000436026427 981164977 /nfs/dbraw/zinc/16/49/77/981164977.db2.gz YGGOKSNCIDHYIO-NRFANRHFSA-N 1 1 422.617 3.598 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000436026427 981164982 /nfs/dbraw/zinc/16/49/82/981164982.db2.gz YGGOKSNCIDHYIO-NRFANRHFSA-N 1 1 422.617 3.598 20 10 HHCDMO CC(C)C[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444046538 986244135 /nfs/dbraw/zinc/24/41/35/986244135.db2.gz QOWMYEBPFIRPBL-UHFFFAOYSA-N 1 1 410.606 3.644 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCCCNc2ccccn2)C1 ZINC000444177520 986355412 /nfs/dbraw/zinc/35/54/12/986355412.db2.gz WZDAVBAGEBHYBT-UHFFFAOYSA-N 1 1 419.573 3.811 20 10 HHCDMO CCCC[NH+]1CCC(NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444226214 986413339 /nfs/dbraw/zinc/41/33/39/986413339.db2.gz SKGSABIYFHQRPO-UHFFFAOYSA-N 1 1 410.606 3.789 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)CC(=O)c2ccco2)C1 ZINC000444300713 986486211 /nfs/dbraw/zinc/48/62/11/986486211.db2.gz ANKBGAOLWLWYPG-KRWDZBQOSA-N 1 1 407.514 3.779 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)ccc21 ZINC000552518176 1012536354 /nfs/dbraw/zinc/53/63/54/1012536354.db2.gz VWOOTTLSJQZPMS-QFIPXVFZSA-N 1 1 421.541 3.723 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000760368580 1072282584 /nfs/dbraw/zinc/28/25/84/1072282584.db2.gz QESXZGYUXDEYEI-NHCUHLMSSA-N 1 1 400.954 3.993 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000760368580 1072282593 /nfs/dbraw/zinc/28/25/93/1072282593.db2.gz QESXZGYUXDEYEI-NHCUHLMSSA-N 1 1 400.954 3.993 20 10 HHCDMO CSc1nc(Cl)cc(N2CCC[N@H+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001142530391 1072425480 /nfs/dbraw/zinc/42/54/80/1072425480.db2.gz HBCPICCSGSFIBW-UHFFFAOYSA-N 1 1 400.882 3.548 20 10 HHCDMO CSc1nc(Cl)cc(N2CCC[N@@H+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001142530391 1072425484 /nfs/dbraw/zinc/42/54/84/1072425484.db2.gz HBCPICCSGSFIBW-UHFFFAOYSA-N 1 1 400.882 3.548 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)C1 ZINC000571083010 1072557180 /nfs/dbraw/zinc/55/71/80/1072557180.db2.gz ZHBHDKAPRNWIKA-JWQCQUIFSA-N 1 1 407.558 3.578 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2c2cc[nH]n2)C1 ZINC000571308499 1072600580 /nfs/dbraw/zinc/60/05/80/1072600580.db2.gz KPNITBUVLGJKTM-QHCPKHFHSA-N 1 1 405.546 3.885 20 10 HHCDMO COc1cnccc1-c1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000571721473 1072711221 /nfs/dbraw/zinc/71/12/21/1072711221.db2.gz TXZARRZZSLFNEL-UHFFFAOYSA-N 1 1 403.486 3.910 20 10 HHCDMO C[NH+](C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1Cl ZINC000760945329 1074704316 /nfs/dbraw/zinc/70/43/16/1074704316.db2.gz XSTJHTKLQUFPKO-QGZVFWFLSA-N 1 1 422.312 3.766 20 10 HHCDMO CCOC(=O)c1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C)sc(C)c1-c1ccccc1 ZINC000761105528 1075429866 /nfs/dbraw/zinc/42/98/66/1075429866.db2.gz OEDGLFNAFHGREM-RHSMWYFYSA-N 1 1 416.543 3.684 20 10 HHCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)c1O ZINC000761206246 1075593599 /nfs/dbraw/zinc/59/35/99/1075593599.db2.gz UQJXDCLAUYJAEC-HNNXBMFYSA-N 1 1 400.700 3.982 20 10 HHCDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)n2)c1 ZINC000303404670 971684945 /nfs/dbraw/zinc/68/49/45/971684945.db2.gz SJWFOHUGUAXVDM-GOSISDBHSA-N 1 1 410.430 3.532 20 10 HHCDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)n2)c1 ZINC000303404670 971684951 /nfs/dbraw/zinc/68/49/51/971684951.db2.gz SJWFOHUGUAXVDM-GOSISDBHSA-N 1 1 410.430 3.532 20 10 HHCDMO Cc1cc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000303583573 971875721 /nfs/dbraw/zinc/87/57/21/971875721.db2.gz RUYUCVDZCZJTPA-LJQANCHMSA-N 1 1 410.606 3.831 20 10 HHCDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000007246380 961087400 /nfs/dbraw/zinc/08/74/00/961087400.db2.gz UAHSMSJOEIUALU-QFIPXVFZSA-N 1 1 411.546 3.565 20 10 HHCDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC)c1 ZINC000007246380 961087417 /nfs/dbraw/zinc/08/74/17/961087417.db2.gz UAHSMSJOEIUALU-QFIPXVFZSA-N 1 1 411.546 3.565 20 10 HHCDMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000022817016 963722405 /nfs/dbraw/zinc/72/24/05/963722405.db2.gz PSRYKRLKJZRZCN-UHFFFAOYSA-N 1 1 404.352 3.595 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097476964 969143631 /nfs/dbraw/zinc/14/36/31/969143631.db2.gz BGEAMOLGHYVUSC-QGZVFWFLSA-N 1 1 401.938 3.738 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)cc1 ZINC000097476988 969143880 /nfs/dbraw/zinc/14/38/80/969143880.db2.gz RKFVAVZUFHIMMO-XMMPIXPASA-N 1 1 407.558 3.791 20 10 HHCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000097494617 969147734 /nfs/dbraw/zinc/14/77/34/969147734.db2.gz XEYQWCMPSIRDIQ-YHLJFGAHSA-N 1 1 411.590 3.681 20 10 HHCDMO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000108702918 969412831 /nfs/dbraw/zinc/41/28/31/969412831.db2.gz LFWBNMVDWQPPAN-QHCPKHFHSA-N 1 1 416.525 3.796 20 10 HHCDMO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc1 ZINC000108702918 969412833 /nfs/dbraw/zinc/41/28/33/969412833.db2.gz LFWBNMVDWQPPAN-QHCPKHFHSA-N 1 1 416.525 3.796 20 10 HHCDMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000139989214 970057729 /nfs/dbraw/zinc/05/77/29/970057729.db2.gz ZXNPQQBRUUALQU-UXHICEINSA-N 1 1 402.583 3.538 20 10 HHCDMO CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000148963821 970376718 /nfs/dbraw/zinc/37/67/18/970376718.db2.gz DCLMUMCJTCCHNG-KRWDZBQOSA-N 1 1 404.555 3.665 20 10 HHCDMO COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c(OC)c1 ZINC000435616911 980963894 /nfs/dbraw/zinc/96/38/94/980963894.db2.gz UPJRSPWEWMDGFY-UHFFFAOYSA-N 1 1 421.541 3.741 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C(=O)N(C)C)c2)C1 ZINC000435635933 980969861 /nfs/dbraw/zinc/96/98/61/980969861.db2.gz LLPYABIROYCKBA-UHFFFAOYSA-N 1 1 418.541 3.748 20 10 HHCDMO COc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1OC ZINC000435660135 980977161 /nfs/dbraw/zinc/97/71/61/980977161.db2.gz RUBQZUPUEXGYBG-UHFFFAOYSA-N 1 1 421.541 3.741 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000435823885 981046598 /nfs/dbraw/zinc/04/65/98/981046598.db2.gz BJGSIFDJOZBESN-URXFXBBRSA-N 1 1 419.573 3.904 20 10 HHCDMO Cc1cc(C2CCN(C(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)CC2)[nH]n1 ZINC000444351876 986533956 /nfs/dbraw/zinc/53/39/56/986533956.db2.gz LIVVEUBMWUWYIZ-UHFFFAOYSA-N 1 1 419.573 3.846 20 10 HHCDMO Cc1cc(C2CCN(C(=O)Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)CC2)n[nH]1 ZINC000444351876 986533963 /nfs/dbraw/zinc/53/39/63/986533963.db2.gz LIVVEUBMWUWYIZ-UHFFFAOYSA-N 1 1 419.573 3.846 20 10 HHCDMO Cc1cc(C2CCN(C(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)CC2)n[nH]1 ZINC000444351876 986533973 /nfs/dbraw/zinc/53/39/73/986533973.db2.gz LIVVEUBMWUWYIZ-UHFFFAOYSA-N 1 1 419.573 3.846 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000472190589 993230043 /nfs/dbraw/zinc/23/00/43/993230043.db2.gz NJQWZBIVKZDPNL-OAQYLSRUSA-N 1 1 420.557 3.577 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)C1 ZINC000473849770 994786861 /nfs/dbraw/zinc/78/68/61/994786861.db2.gz LKZAGPDNUSQZLP-OAQYLSRUSA-N 1 1 407.518 3.621 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000512560143 1004385603 /nfs/dbraw/zinc/38/56/03/1004385603.db2.gz RZQBOQPAWRLFFF-LJQANCHMSA-N 1 1 419.573 3.548 20 10 HHCDMO Cc1nnc([C@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[nH]1 ZINC000513939458 1005196032 /nfs/dbraw/zinc/19/60/32/1005196032.db2.gz FNPHFNBDKDWDNT-JOCHJYFZSA-N 1 1 420.561 3.588 20 10 HHCDMO Cc1nc([C@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n[nH]1 ZINC000513939458 1005196035 /nfs/dbraw/zinc/19/60/35/1005196035.db2.gz FNPHFNBDKDWDNT-JOCHJYFZSA-N 1 1 420.561 3.588 20 10 HHCDMO Cc1nc([C@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n[nH]1 ZINC000513939458 1005196039 /nfs/dbraw/zinc/19/60/39/1005196039.db2.gz FNPHFNBDKDWDNT-JOCHJYFZSA-N 1 1 420.561 3.588 20 10 HHCDMO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142508784 1072404750 /nfs/dbraw/zinc/40/47/50/1072404750.db2.gz LJQLYKOAVFSWJJ-UHFFFAOYSA-N 1 1 412.477 3.520 20 10 HHCDMO CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142508784 1072404754 /nfs/dbraw/zinc/40/47/54/1072404754.db2.gz LJQLYKOAVFSWJJ-UHFFFAOYSA-N 1 1 412.477 3.520 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)C1 ZINC000571083011 1072557324 /nfs/dbraw/zinc/55/73/24/1072557324.db2.gz ZHBHDKAPRNWIKA-LOSJGSFVSA-N 1 1 407.558 3.578 20 10 HHCDMO COC(=O)c1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000555851767 1073902934 /nfs/dbraw/zinc/90/29/34/1073902934.db2.gz QAQSTRASMKGRBA-UHFFFAOYSA-N 1 1 419.525 3.511 20 10 HHCDMO COc1cc(Cl)cc(C[NH+]2CCN(c3ccc(Br)cn3)CC2)c1O ZINC000761191056 1075576180 /nfs/dbraw/zinc/57/61/80/1075576180.db2.gz JTTCKFHYZZZIJK-UHFFFAOYSA-N 1 1 412.715 3.534 20 10 HHCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O ZINC000761192647 1075577029 /nfs/dbraw/zinc/57/70/29/1075577029.db2.gz WLYPHPZUBLROQP-GFCCVEGCSA-N 1 1 410.301 3.953 20 10 HHCDMO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000761201035 1075586694 /nfs/dbraw/zinc/58/66/94/1075586694.db2.gz CQLDPNBFQPQQLQ-GFCCVEGCSA-N 1 1 408.848 3.677 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1nc2ccc(F)cc2s1 ZINC000302832372 971340454 /nfs/dbraw/zinc/34/04/54/971340454.db2.gz HSNALLRATNIFKA-MRXNPFEDSA-N 1 1 415.490 3.761 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1nc2ccc(F)cc2s1 ZINC000302832372 971340459 /nfs/dbraw/zinc/34/04/59/971340459.db2.gz HSNALLRATNIFKA-MRXNPFEDSA-N 1 1 415.490 3.761 20 10 HHCDMO Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000303031069 971466787 /nfs/dbraw/zinc/46/67/87/971466787.db2.gz RAGBKNVMVURCDB-UHFFFAOYSA-N 1 1 423.479 3.821 20 10 HHCDMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000007246062 961088022 /nfs/dbraw/zinc/08/80/22/961088022.db2.gz VBIHMXZYFBZGCK-QFIPXVFZSA-N 1 1 411.546 3.565 20 10 HHCDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000007246062 961088035 /nfs/dbraw/zinc/08/80/35/961088035.db2.gz VBIHMXZYFBZGCK-QFIPXVFZSA-N 1 1 411.546 3.565 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(OC(F)(F)F)cc1 ZINC000096970951 969067389 /nfs/dbraw/zinc/06/73/89/969067389.db2.gz YXSOXKQSKMPWMG-SFHVURJKSA-N 1 1 424.419 3.911 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(OC(F)(F)F)cc1 ZINC000096970951 969067395 /nfs/dbraw/zinc/06/73/95/969067395.db2.gz YXSOXKQSKMPWMG-SFHVURJKSA-N 1 1 424.419 3.911 20 10 HHCDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971039 969068340 /nfs/dbraw/zinc/06/83/40/969068340.db2.gz 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HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000096970936 969067627 /nfs/dbraw/zinc/06/76/27/969067627.db2.gz OBTVMSGXFWDMSS-GOSISDBHSA-N 1 1 419.319 3.774 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000096970936 969067634 /nfs/dbraw/zinc/06/76/34/969067634.db2.gz OBTVMSGXFWDMSS-GOSISDBHSA-N 1 1 419.319 3.774 20 10 HHCDMO CN(C)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000116204227 969880602 /nfs/dbraw/zinc/88/06/02/969880602.db2.gz OYGWERZGBOSGEG-OAQYLSRUSA-N 1 1 405.464 3.823 20 10 HHCDMO Fc1cccc(F)c1C[NH2+]Cc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000139819035 970047591 /nfs/dbraw/zinc/04/75/91/970047591.db2.gz NMBZWKRDSZCHIG-UHFFFAOYSA-N 1 1 413.447 3.510 20 10 HHCDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)CC1 ZINC000216476980 970075400 /nfs/dbraw/zinc/07/54/00/970075400.db2.gz QLUOIIJYIMKTJF-LJQANCHMSA-N 1 1 424.541 3.757 20 10 HHCDMO COCc1cccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435540163 980929803 /nfs/dbraw/zinc/92/98/03/980929803.db2.gz AGWJOZADNYQVOC-UHFFFAOYSA-N 1 1 405.542 3.871 20 10 HHCDMO CCNC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000435542597 980931150 /nfs/dbraw/zinc/93/11/50/980931150.db2.gz FUQPYGQWKUAGBI-UHFFFAOYSA-N 1 1 418.541 3.796 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc([S@@](C)=O)c2)C1 ZINC000435876238 981072982 /nfs/dbraw/zinc/07/29/82/981072982.db2.gz HOEZPTAWTJHURP-GDLZYMKVSA-N 1 1 409.555 3.784 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(-n3ccnn3)c2)C1 ZINC000435901872 981083898 /nfs/dbraw/zinc/08/38/98/981083898.db2.gz JOIXHDMYVCKHPR-UHFFFAOYSA-N 1 1 414.513 3.627 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C3CCOCC3)C2)C1 ZINC000435916844 981091191 /nfs/dbraw/zinc/09/11/91/981091191.db2.gz KDMZQABIBRKHTE-HXUWFJFHSA-N 1 1 409.574 3.683 20 10 HHCDMO Cc1cnc2c(c1)N(C(=O)Cn1c3ccccc3c3c1CC[N@H+](C(C)C)C3)CCO2 ZINC000436045848 981177686 /nfs/dbraw/zinc/17/76/86/981177686.db2.gz ZWPOBNDJHQAZDO-UHFFFAOYSA-N 1 1 404.514 3.537 20 10 HHCDMO Cc1ccc2nc(CNC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)cn2c1 ZINC000460322752 982099457 /nfs/dbraw/zinc/09/94/57/982099457.db2.gz DZRCMSHMFQFKQP-UHFFFAOYSA-N 1 1 415.541 3.680 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000443953239 986160902 /nfs/dbraw/zinc/16/09/02/986160902.db2.gz RPSDFULGHPBSJW-QHCPKHFHSA-N 1 1 424.614 3.888 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2ccsc2)N(C)C)C1 ZINC000443953239 986160908 /nfs/dbraw/zinc/16/09/08/986160908.db2.gz RPSDFULGHPBSJW-QHCPKHFHSA-N 1 1 424.614 3.888 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000444239467 986430385 /nfs/dbraw/zinc/43/03/85/986430385.db2.gz BKPSLFVTLMKSDL-OAQYLSRUSA-N 1 1 422.617 3.598 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000444239467 986430394 /nfs/dbraw/zinc/43/03/94/986430394.db2.gz BKPSLFVTLMKSDL-OAQYLSRUSA-N 1 1 422.617 3.598 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000472232854 993261297 /nfs/dbraw/zinc/26/12/97/993261297.db2.gz ZMWFXWRXWOTRSI-FQEVSTJZSA-N 1 1 405.546 3.545 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000481906000 994777895 /nfs/dbraw/zinc/77/78/95/994777895.db2.gz HFADEZCQCSOOGZ-JOCHJYFZSA-N 1 1 405.542 3.909 20 10 HHCDMO CC(C)(C)c1cc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000729684405 1071807722 /nfs/dbraw/zinc/80/77/22/1071807722.db2.gz OGTUDGRNCZYCEY-QGZVFWFLSA-N 1 1 403.611 3.664 20 10 HHCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000760370167 1072283524 /nfs/dbraw/zinc/28/35/24/1072283524.db2.gz RQZFKZVZQAMYQC-GMVOTWDCSA-N 1 1 403.910 3.860 20 10 HHCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000760370167 1072283534 /nfs/dbraw/zinc/28/35/34/1072283534.db2.gz RQZFKZVZQAMYQC-GMVOTWDCSA-N 1 1 403.910 3.860 20 10 HHCDMO Cc1cc(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000760552720 1072573771 /nfs/dbraw/zinc/57/37/71/1072573771.db2.gz AGERQLQODKVZHJ-NRFANRHFSA-N 1 1 420.582 3.837 20 10 HHCDMO Cc1cc(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000760552720 1072573778 /nfs/dbraw/zinc/57/37/78/1072573778.db2.gz AGERQLQODKVZHJ-NRFANRHFSA-N 1 1 420.582 3.837 20 10 HHCDMO COc1cc(Cl)cc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)c1O ZINC000761198549 1075581488 /nfs/dbraw/zinc/58/14/88/1075581488.db2.gz KCDKHFDCOSMMOY-SFHVURJKSA-N 1 1 411.329 3.559 20 10 HHCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000303218777 971565656 /nfs/dbraw/zinc/56/56/56/971565656.db2.gz REKKFNYKBSKVPN-GOSISDBHSA-N 1 1 420.513 3.651 20 10 HHCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000303218777 971565662 /nfs/dbraw/zinc/56/56/62/971565662.db2.gz REKKFNYKBSKVPN-GOSISDBHSA-N 1 1 420.513 3.651 20 10 HHCDMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000007246053 961087860 /nfs/dbraw/zinc/08/78/60/961087860.db2.gz VBIHMXZYFBZGCK-JOCHJYFZSA-N 1 1 411.546 3.565 20 10 HHCDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000007246053 961087880 /nfs/dbraw/zinc/08/78/80/961087880.db2.gz VBIHMXZYFBZGCK-JOCHJYFZSA-N 1 1 411.546 3.565 20 10 HHCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1 ZINC000049512209 964171032 /nfs/dbraw/zinc/17/10/32/964171032.db2.gz JUBJYVIZPMJHGA-UHFFFAOYSA-N 1 1 408.329 3.554 20 10 HHCDMO CNC(=O)C1CC[NH+](CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)CC1 ZINC000029164203 965291087 /nfs/dbraw/zinc/29/10/87/965291087.db2.gz ILXJOKQWPJVRHV-UHFFFAOYSA-N 1 1 421.463 3.754 20 10 HHCDMO CCCc1nc(C)c(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)o1 ZINC000554164706 1013831416 /nfs/dbraw/zinc/83/14/16/1013831416.db2.gz GRTOEXNRXZFYSR-UHFFFAOYSA-N 1 1 408.546 3.973 20 10 HHCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@H](CCC(N)=O)C3)c2C)c1 ZINC000110628458 969697897 /nfs/dbraw/zinc/69/78/97/969697897.db2.gz PYRCBJYEUIJCQT-GOSISDBHSA-N 1 1 413.587 3.976 20 10 HHCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@H](CCC(N)=O)C3)c2C)c1 ZINC000110628458 969697900 /nfs/dbraw/zinc/69/79/00/969697900.db2.gz PYRCBJYEUIJCQT-GOSISDBHSA-N 1 1 413.587 3.976 20 10 HHCDMO COc1cc(C[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1SC ZINC000116144083 969875064 /nfs/dbraw/zinc/87/50/64/969875064.db2.gz BIFDRYMTFLWUIJ-UHFFFAOYSA-N 1 1 401.576 3.574 20 10 HHCDMO COc1cc(C[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1SC ZINC000116144083 969875070 /nfs/dbraw/zinc/87/50/70/969875070.db2.gz BIFDRYMTFLWUIJ-UHFFFAOYSA-N 1 1 401.576 3.574 20 10 HHCDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000195680836 969951542 /nfs/dbraw/zinc/95/15/42/969951542.db2.gz AUBRWRKBDOTFRX-INIZCTEOSA-N 1 1 424.570 3.656 20 10 HHCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000195680836 969951549 /nfs/dbraw/zinc/95/15/49/969951549.db2.gz AUBRWRKBDOTFRX-INIZCTEOSA-N 1 1 424.570 3.656 20 10 HHCDMO Cc1cc(=O)n2nc(C[N@@H+](Cc3ccccc3O)[C@@H](C)c3ccccc3)sc2n1 ZINC000216486290 970075460 /nfs/dbraw/zinc/07/54/60/970075460.db2.gz OZMMGXHYLLBDDY-INIZCTEOSA-N 1 1 406.511 3.928 20 10 HHCDMO CCN(C(C)=O)c1nc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000236840699 970179268 /nfs/dbraw/zinc/17/92/68/970179268.db2.gz HXWWEVCFXYZSLL-OAHLLOKOSA-N 1 1 424.517 3.876 20 10 HHCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000252118612 970554743 /nfs/dbraw/zinc/55/47/43/970554743.db2.gz KNCVRNNDKXHYQA-SVFBPWRDSA-N 1 1 417.594 3.839 20 10 HHCDMO Cc1ccc(SCCNC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000261368656 970628106 /nfs/dbraw/zinc/62/81/06/970628106.db2.gz RMIOONDSHSMYEO-HXUWFJFHSA-N 1 1 414.571 3.590 20 10 HHCDMO Cc1ccc(SCCNC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000261368656 970628113 /nfs/dbraw/zinc/62/81/13/970628113.db2.gz RMIOONDSHSMYEO-HXUWFJFHSA-N 1 1 414.571 3.590 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccccc2-n2ccnn2)C1 ZINC000435528786 980923026 /nfs/dbraw/zinc/92/30/26/980923026.db2.gz CYVLFMXIAWRYMG-UHFFFAOYSA-N 1 1 414.513 3.627 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000444250718 986445150 /nfs/dbraw/zinc/44/51/50/986445150.db2.gz SCEGDOJTTBPAHG-NRFANRHFSA-N 1 1 422.617 3.742 20 10 HHCDMO COCCn1nc(C)c(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1C ZINC000444252666 986447768 /nfs/dbraw/zinc/44/77/68/986447768.db2.gz WSPSOKFMBYYQHX-UHFFFAOYSA-N 1 1 423.561 3.506 20 10 HHCDMO Cc1ccc(-c2nc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)n[nH]2)o1 ZINC000444823181 986978227 /nfs/dbraw/zinc/97/82/27/986978227.db2.gz OTRJDAIHRLZBIN-UHFFFAOYSA-N 1 1 418.501 3.733 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc3cc(Cl)ccn3n2)C1 ZINC000464644701 988825296 /nfs/dbraw/zinc/82/52/96/988825296.db2.gz AZXJGMPCBSGBEV-UHFFFAOYSA-N 1 1 422.920 3.743 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 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407.558 3.783 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N[C@H](c3ccc(C)cc3)C3CC3)CC2)cc1 ZINC000108095822 969357119 /nfs/dbraw/zinc/35/71/19/969357119.db2.gz ZUMAMNDPIMEMCX-RUZDIDTESA-N 1 1 407.558 3.783 20 10 HHCDMO COC(=O)c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)oc1C ZINC000237074511 970218215 /nfs/dbraw/zinc/21/82/15/970218215.db2.gz QJMGMOBCKPGCMM-UHFFFAOYSA-N 1 1 412.408 3.520 20 10 HHCDMO COc1ccc(N2CCN(CCC[NH2+]Cc3csc(C(C)(C)C)n3)CC2)cc1 ZINC000237273347 970252605 /nfs/dbraw/zinc/25/26/05/970252605.db2.gz JDDFRYKMTRKAFI-UHFFFAOYSA-N 1 1 402.608 3.751 20 10 HHCDMO Cn1c(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)nc2ccccc21 ZINC000237861552 970384433 /nfs/dbraw/zinc/38/44/33/970384433.db2.gz YBSDGTUNJIUYLL-UHFFFAOYSA-N 1 1 404.436 3.719 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000435620078 980965221 /nfs/dbraw/zinc/96/52/21/980965221.db2.gz ZBIRBKOTJGEPHZ-UHFFFAOYSA-N 1 1 414.513 3.627 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)N(C)CCO3)C1 ZINC000435824787 981047011 /nfs/dbraw/zinc/04/70/11/981047011.db2.gz FJOBDUUBWQQEQD-UHFFFAOYSA-N 1 1 418.541 3.875 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2ccc3c(c2)OCO3)C1 ZINC000436050569 981179464 /nfs/dbraw/zinc/17/94/64/981179464.db2.gz LHVRNHSRICUBSU-UHFFFAOYSA-N 1 1 405.498 3.800 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H](OCC3CC3)C2)C1 ZINC000444280747 986469820 /nfs/dbraw/zinc/46/98/20/986469820.db2.gz KIGOCMRRJOMDCA-FQEVSTJZSA-N 1 1 409.574 3.825 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCc3ccc(O)cc3C2)C1 ZINC000444340338 986518563 /nfs/dbraw/zinc/51/85/63/986518563.db2.gz LDVCKFBAMFZHAP-UHFFFAOYSA-N 1 1 403.526 3.698 20 10 HHCDMO COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520310 1072414231 /nfs/dbraw/zinc/41/42/31/1072414231.db2.gz FRTONCOYUGGIPB-UHFFFAOYSA-N 1 1 406.473 3.784 20 10 HHCDMO COc1cccc(OC)c1CN1CCC([N@H+](C)Cc2cc(F)c(F)cc2O)CC1 ZINC001142520310 1072414236 /nfs/dbraw/zinc/41/42/36/1072414236.db2.gz FRTONCOYUGGIPB-UHFFFAOYSA-N 1 1 406.473 3.784 20 10 HHCDMO COc1cccc(OC)c1CN1CCC([N@@H+](C)Cc2cc(F)c(F)cc2O)CC1 ZINC001142520310 1072414238 /nfs/dbraw/zinc/41/42/38/1072414238.db2.gz FRTONCOYUGGIPB-UHFFFAOYSA-N 1 1 406.473 3.784 20 10 HHCDMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520493 1072415026 /nfs/dbraw/zinc/41/50/26/1072415026.db2.gz KQERDOSVXWKENO-PKTZIBPZSA-N 1 1 418.484 3.962 20 10 HHCDMO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520493 1072415027 /nfs/dbraw/zinc/41/50/27/1072415027.db2.gz KQERDOSVXWKENO-PKTZIBPZSA-N 1 1 418.484 3.962 20 10 HHCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761149243 1075535220 /nfs/dbraw/zinc/53/52/20/1075535220.db2.gz FIBVNINQGDJEOZ-HNAYVOBHSA-N 1 1 413.905 3.645 20 10 HHCDMO COc1cc(OC)cc(N2CCC[N@@H+](Cc3cc(Cl)cc(OC)c3O)CC2)c1 ZINC000761203195 1075594770 /nfs/dbraw/zinc/59/47/70/1075594770.db2.gz KUCOUQPVGSHDSO-UHFFFAOYSA-N 1 1 406.910 3.784 20 10 HHCDMO Cc1c(NC(=O)CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000303351922 971651432 /nfs/dbraw/zinc/65/14/32/971651432.db2.gz HKNJXNVPOAXWMR-SFHVURJKSA-N 1 1 413.474 3.619 20 10 HHCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000061865273 966566732 /nfs/dbraw/zinc/56/67/32/966566732.db2.gz VQICVKMOMAEISI-UHFFFAOYSA-N 1 1 412.603 3.691 20 10 HHCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@@H+]3CCC[C@@H](CCC(N)=O)C3)c2C)c1 ZINC000110628461 969697786 /nfs/dbraw/zinc/69/77/86/969697786.db2.gz PYRCBJYEUIJCQT-SFHVURJKSA-N 1 1 413.587 3.976 20 10 HHCDMO CSc1cccc(-n2c(C)cc(C(=O)C[N@H+]3CCC[C@@H](CCC(N)=O)C3)c2C)c1 ZINC000110628461 969697789 /nfs/dbraw/zinc/69/77/89/969697789.db2.gz PYRCBJYEUIJCQT-SFHVURJKSA-N 1 1 413.587 3.976 20 10 HHCDMO CC[N@@H+](C)[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccccc1 ZINC000110740299 969716439 /nfs/dbraw/zinc/71/64/39/969716439.db2.gz CYYAQQMSFLDAGZ-IXFSTUDKSA-N 1 1 413.537 3.749 20 10 HHCDMO COc1ccc(N2CCC[N@H+](Cc3cc4c(cc3Br)OCO4)CC2)cc1 ZINC000195668994 969944860 /nfs/dbraw/zinc/94/48/60/969944860.db2.gz ADQDDHLHGUAKAM-UHFFFAOYSA-N 1 1 419.319 3.899 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)CC2)cc1 ZINC000195668994 969944866 /nfs/dbraw/zinc/94/48/66/969944866.db2.gz ADQDDHLHGUAKAM-UHFFFAOYSA-N 1 1 419.319 3.899 20 10 HHCDMO Cc1cc(=O)n2nc(C[N@@H+](Cc3ccccc3O)[C@H](C)c3ccccc3)sc2n1 ZINC000216486339 970075683 /nfs/dbraw/zinc/07/56/83/970075683.db2.gz OZMMGXHYLLBDDY-MRXNPFEDSA-N 1 1 406.511 3.928 20 10 HHCDMO CCOc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c1O ZINC000236922209 970190149 /nfs/dbraw/zinc/19/01/49/970190149.db2.gz DRZHXHZODRRJTN-KRWDZBQOSA-N 1 1 401.526 3.923 20 10 HHCDMO COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000237363891 970270393 /nfs/dbraw/zinc/27/03/93/970270393.db2.gz YSOUYBICNIFIII-DEOSSOPVSA-N 1 1 423.534 3.913 20 10 HHCDMO CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000247986835 970495500 /nfs/dbraw/zinc/49/55/00/970495500.db2.gz ZHVDQKBOADMVBU-UHFFFAOYSA-N 1 1 401.576 3.559 20 10 HHCDMO COc1cccc(CCNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435571889 980946183 /nfs/dbraw/zinc/94/61/83/980946183.db2.gz ZUSHETXPTVMFSM-UHFFFAOYSA-N 1 1 405.542 3.775 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000435635417 980969211 /nfs/dbraw/zinc/96/92/11/980969211.db2.gz HCQBNKHKWIKLFL-UHFFFAOYSA-N 1 1 405.498 3.818 20 10 HHCDMO COc1ccc(CCNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1 ZINC000435645410 980973241 /nfs/dbraw/zinc/97/32/41/980973241.db2.gz MKLVRNRVIDPXDN-UHFFFAOYSA-N 1 1 405.542 3.775 20 10 HHCDMO COC(=O)c1cccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435817506 981043904 /nfs/dbraw/zinc/04/39/04/981043904.db2.gz LMOJGGZRGULNLJ-UHFFFAOYSA-N 1 1 419.525 3.511 20 10 HHCDMO CCn1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1C1CC1 ZINC000435820353 981044975 /nfs/dbraw/zinc/04/49/75/981044975.db2.gz VPKMZYGPYCPLQR-UHFFFAOYSA-N 1 1 405.546 4.140 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)C1 ZINC000435905922 981085857 /nfs/dbraw/zinc/08/58/57/981085857.db2.gz DAXTYQLNPGSODM-QTLGCAHFSA-N 1 1 421.585 3.872 20 10 HHCDMO CCOC(=O)c1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)oc1C ZINC000436008436 981150940 /nfs/dbraw/zinc/15/09/40/981150940.db2.gz UKHVBIWNVDMWMV-UHFFFAOYSA-N 1 1 424.501 3.520 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000443919049 986122335 /nfs/dbraw/zinc/12/23/35/986122335.db2.gz HMZOIXARJPUBDX-QFIPXVFZSA-N 1 1 424.614 3.888 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](c2cccs2)N(C)C)C1 ZINC000443919049 986122343 /nfs/dbraw/zinc/12/23/43/986122343.db2.gz HMZOIXARJPUBDX-QFIPXVFZSA-N 1 1 424.614 3.888 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2COc3ccccc3C2)C1 ZINC000443942959 986151386 /nfs/dbraw/zinc/15/13/86/986151386.db2.gz YVEFAAOTOOAKBE-IBGZPJMESA-N 1 1 403.526 3.528 20 10 HHCDMO Cc1cccn2cc(CNC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)nc12 ZINC000444175462 986352350 /nfs/dbraw/zinc/35/23/50/986352350.db2.gz KKYMLTKJGONIFY-UHFFFAOYSA-N 1 1 415.541 3.680 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCO[C@@H](c3ccco3)C2)C1 ZINC000444244365 986436686 /nfs/dbraw/zinc/43/66/86/986436686.db2.gz JQZNTDIAWQYZSM-HSZRJFAPSA-N 1 1 407.514 3.601 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)Cc2ccc(O)cc2)C1 ZINC000444340203 986518804 /nfs/dbraw/zinc/51/88/04/986518804.db2.gz QCXQWRIDJDIVRO-GOSISDBHSA-N 1 1 405.542 3.861 20 10 HHCDMO CC(C)CN(C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C1CC[NH+](C)CC1 ZINC000464571661 988747832 /nfs/dbraw/zinc/74/78/32/988747832.db2.gz FJTFHCKAPWBCBW-UHFFFAOYSA-N 1 1 424.633 3.987 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000497403434 1001341163 /nfs/dbraw/zinc/34/11/63/1001341163.db2.gz HDJIYAAXFGCXHY-DHIUTWEWSA-N 1 1 405.542 3.732 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nc(C(F)(F)F)c[nH]2)C1 ZINC000506919250 1001593017 /nfs/dbraw/zinc/59/30/17/1001593017.db2.gz VWRWGDZQRJNAIY-UHFFFAOYSA-N 1 1 405.424 3.788 20 10 HHCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543279169 1008853690 /nfs/dbraw/zinc/85/36/90/1008853690.db2.gz WWFDAWYZWPGBEB-SFHVURJKSA-N 1 1 408.546 3.985 20 10 HHCDMO COc1ccc(N2CCOC[C@@]3(CCC[N@H+]([C@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269534 1071884654 /nfs/dbraw/zinc/88/46/54/1071884654.db2.gz VNRRRYSUNAGXIJ-JYFHCDHNSA-N 1 1 422.569 3.790 20 10 HHCDMO COc1ccc(N2CCOC[C@]3(CCC[N@H+]([C@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269535 1071885310 /nfs/dbraw/zinc/88/53/10/1071885310.db2.gz VNRRRYSUNAGXIJ-OZXSUGGESA-N 1 1 422.569 3.790 20 10 HHCDMO COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000912760306 1072278812 /nfs/dbraw/zinc/27/88/12/1072278812.db2.gz WKPLONKVVLBPBS-KRWDZBQOSA-N 1 1 411.329 3.564 20 10 HHCDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142512604 1072408681 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ZINC000760939803 1074702759 /nfs/dbraw/zinc/70/27/59/1074702759.db2.gz MOULNFVRKYZOSL-UHFFFAOYSA-N 1 1 407.558 3.899 20 10 HHCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000303064436 971485516 /nfs/dbraw/zinc/48/55/16/971485516.db2.gz MSSVSEPPAZJZEQ-UHFFFAOYSA-N 1 1 412.553 3.696 20 10 HHCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000303218779 971565729 /nfs/dbraw/zinc/56/57/29/971565729.db2.gz REKKFNYKBSKVPN-SFHVURJKSA-N 1 1 420.513 3.651 20 10 HHCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000303218779 971565736 /nfs/dbraw/zinc/56/57/36/971565736.db2.gz REKKFNYKBSKVPN-SFHVURJKSA-N 1 1 420.513 3.651 20 10 HHCDMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000011193275 962027152 /nfs/dbraw/zinc/02/71/52/962027152.db2.gz GIYDWBNRAXMVPP-INIZCTEOSA-N 1 1 419.472 3.584 20 10 HHCDMO CCC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000014264454 962455309 /nfs/dbraw/zinc/45/53/09/962455309.db2.gz AQRABDYXTNHJRS-HNNXBMFYSA-N 1 1 412.349 3.707 20 10 HHCDMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000016387039 963028581 /nfs/dbraw/zinc/02/85/81/963028581.db2.gz UPKVREKWFAQQOG-HXUWFJFHSA-N 1 1 417.553 3.986 20 10 HHCDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000016387039 963028594 /nfs/dbraw/zinc/02/85/94/963028594.db2.gz UPKVREKWFAQQOG-HXUWFJFHSA-N 1 1 417.553 3.986 20 10 HHCDMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000016387041 963028903 /nfs/dbraw/zinc/02/89/03/963028903.db2.gz UPKVREKWFAQQOG-FQEVSTJZSA-N 1 1 417.553 3.986 20 10 HHCDMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1 ZINC000016387041 963028926 /nfs/dbraw/zinc/02/89/26/963028926.db2.gz UPKVREKWFAQQOG-FQEVSTJZSA-N 1 1 417.553 3.986 20 10 HHCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000016878901 963127183 /nfs/dbraw/zinc/12/71/83/963127183.db2.gz ZWQSZPYNNJHYNU-UHFFFAOYSA-N 1 1 414.487 3.798 20 10 HHCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000016878901 963127191 /nfs/dbraw/zinc/12/71/91/963127191.db2.gz ZWQSZPYNNJHYNU-UHFFFAOYSA-N 1 1 414.487 3.798 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)CC2)cc1 ZINC000097494672 969147566 /nfs/dbraw/zinc/14/75/66/969147566.db2.gz FFXGUFLOARKOOU-KRWDZBQOSA-N 1 1 417.500 3.705 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000097549401 969158427 /nfs/dbraw/zinc/15/84/27/969158427.db2.gz NTVDXKSKZWETOL-UHFFFAOYSA-N 1 1 422.617 3.555 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000097549401 969158434 /nfs/dbraw/zinc/15/84/34/969158434.db2.gz NTVDXKSKZWETOL-UHFFFAOYSA-N 1 1 422.617 3.555 20 10 HHCDMO COc1ccc(N2CCC(NC(=O)NCCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000110464723 969672818 /nfs/dbraw/zinc/67/28/18/969672818.db2.gz YMMHJLXRLAMHIE-BGYRXZFFSA-N 1 1 416.610 3.721 20 10 HHCDMO CCC[N@H+](CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccccc1O ZINC000112518140 969813142 /nfs/dbraw/zinc/81/31/42/969813142.db2.gz OLGIRWPGLIALLK-UHFFFAOYSA-N 1 1 413.587 3.792 20 10 HHCDMO CCC[N@@H+](CC(=O)Nc1cccc(CN2CCSCC2)c1)Cc1ccccc1O ZINC000112518140 969813153 /nfs/dbraw/zinc/81/31/53/969813153.db2.gz OLGIRWPGLIALLK-UHFFFAOYSA-N 1 1 413.587 3.792 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCCC23CCOCC3)C1 ZINC000409808931 973282544 /nfs/dbraw/zinc/28/25/44/973282544.db2.gz VODUPDRZNMBSMJ-HSZRJFAPSA-N 1 1 409.574 3.873 20 10 HHCDMO Cc1noc([C@@H]2CCCN(C(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)C2)n1 ZINC000435492093 980901182 /nfs/dbraw/zinc/90/11/82/980901182.db2.gz DATUILFOAXEZPZ-GOSISDBHSA-N 1 1 421.545 3.505 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc3c2OCCO3)C1 ZINC000435543584 980932248 /nfs/dbraw/zinc/93/22/48/980932248.db2.gz LWQXXLGWKQHUAF-UHFFFAOYSA-N 1 1 405.498 3.818 20 10 HHCDMO CC(C)c1nnc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)s1 ZINC000435814081 981042150 /nfs/dbraw/zinc/04/21/50/981042150.db2.gz PTEULHHIUFMOKP-UHFFFAOYSA-N 1 1 411.575 3.699 20 10 HHCDMO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[C@H](C)C1 ZINC000435826297 981048166 /nfs/dbraw/zinc/04/81/66/981048166.db2.gz LGCLBJNUWYZGEF-KNQAVFIVSA-N 1 1 410.606 3.597 20 10 HHCDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[C@H](C)C1 ZINC000435826297 981048170 /nfs/dbraw/zinc/04/81/70/981048170.db2.gz LGCLBJNUWYZGEF-KNQAVFIVSA-N 1 1 410.606 3.597 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCO[C@@H]2C2CC2)C1 ZINC000436004156 981147179 /nfs/dbraw/zinc/14/71/79/981147179.db2.gz JJLWAHXWNGNLMC-RPBOFIJWSA-N 1 1 409.574 3.729 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(C)c2C(F)(F)F)C1 ZINC000436006940 981149447 /nfs/dbraw/zinc/14/94/47/981149447.db2.gz OOXPRDQAOZWTPG-UHFFFAOYSA-N 1 1 419.451 3.799 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(NC(N)=O)cc2)C1 ZINC000443916376 986117640 /nfs/dbraw/zinc/11/76/40/986117640.db2.gz YPAYLOGFZOZKQZ-UHFFFAOYSA-N 1 1 405.502 3.537 20 10 HHCDMO Cc1cccc2nc(CNC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)cn21 ZINC000444248379 986442310 /nfs/dbraw/zinc/44/23/10/986442310.db2.gz RNVAPHXGNMNEOC-UHFFFAOYSA-N 1 1 415.541 3.680 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)ccc21 ZINC000552518175 1012535929 /nfs/dbraw/zinc/53/59/29/1012535929.db2.gz VWOOTTLSJQZPMS-JOCHJYFZSA-N 1 1 421.541 3.723 20 10 HHCDMO COc1ccc(N2CCOC[C@@]3(CCC[N@H+]([C@@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269537 1071885331 /nfs/dbraw/zinc/88/53/31/1071885331.db2.gz VNRRRYSUNAGXIJ-ZEQKJWHPSA-N 1 1 422.569 3.790 20 10 HHCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001142520695 1072415410 /nfs/dbraw/zinc/41/54/10/1072415410.db2.gz NXAPUMCZJYVVIP-LJQANCHMSA-N 1 1 413.390 3.942 20 10 HHCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC001142520695 1072415412 /nfs/dbraw/zinc/41/54/12/1072415412.db2.gz NXAPUMCZJYVVIP-LJQANCHMSA-N 1 1 413.390 3.942 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1OC(F)F ZINC000302833183 971341953 /nfs/dbraw/zinc/34/19/53/971341953.db2.gz LSYUNRVZRPPUDA-INIZCTEOSA-N 1 1 406.429 3.613 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccccc1OC(F)F ZINC000302833183 971341957 /nfs/dbraw/zinc/34/19/57/971341957.db2.gz LSYUNRVZRPPUDA-INIZCTEOSA-N 1 1 406.429 3.613 20 10 HHCDMO Cc1ccc(CN(C(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)C2CC2)cc1 ZINC000303450308 971748769 /nfs/dbraw/zinc/74/87/69/971748769.db2.gz IFOZVNWXVALLRP-HSZRJFAPSA-N 1 1 408.542 3.873 20 10 HHCDMO CC(C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000011193340 962027074 /nfs/dbraw/zinc/02/70/74/962027074.db2.gz XEJLJLRDRGZKMW-XMMPIXPASA-N 1 1 413.537 3.608 20 10 HHCDMO CC(C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000011193340 962027093 /nfs/dbraw/zinc/02/70/93/962027093.db2.gz XEJLJLRDRGZKMW-XMMPIXPASA-N 1 1 413.537 3.608 20 10 HHCDMO CC(=O)NCC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)CC1 ZINC000052848877 965001544 /nfs/dbraw/zinc/00/15/44/965001544.db2.gz UZNODEKAEOBLSS-UHFFFAOYSA-N 1 1 419.928 3.917 20 10 HHCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000038588978 966484428 /nfs/dbraw/zinc/48/44/28/966484428.db2.gz YLTAXRCRRXJJRW-UHFFFAOYSA-N 1 1 422.451 3.658 20 10 HHCDMO Cc1ccc(C[N@H+](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C(C)C)s1 ZINC000065162371 967397335 /nfs/dbraw/zinc/39/73/35/967397335.db2.gz HWUCWAFEIQHHOU-UHFFFAOYSA-N 1 1 419.566 3.559 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)N1CCC(Cc2ccccc2)CC1 ZINC000096970961 969068458 /nfs/dbraw/zinc/06/84/58/969068458.db2.gz HWIPRXRMSFLDAI-DEOSSOPVSA-N 1 1 422.569 3.855 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2ccccc2)CC2CCOCC2)cc1 ZINC000097570277 969163658 /nfs/dbraw/zinc/16/36/58/969163658.db2.gz IOSOFIXRKQMKLQ-UHFFFAOYSA-N 1 1 409.574 3.640 20 10 HHCDMO CCC[N@@H+](CC(=O)Nc1ccccc1I)Cc1ccccc1O ZINC000110082499 969621024 /nfs/dbraw/zinc/62/10/24/969621024.db2.gz KSDPBCFKIKLMPS-UHFFFAOYSA-N 1 1 424.282 3.848 20 10 HHCDMO Cc1cc(C)c(NC(=O)CNC(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)c(C)c1 ZINC000112601647 969817909 /nfs/dbraw/zinc/81/79/09/969817909.db2.gz KSGLIYDYVUQDBL-UHFFFAOYSA-N 1 1 423.557 3.817 20 10 HHCDMO CN(C)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000116548122 969903507 /nfs/dbraw/zinc/90/35/07/969903507.db2.gz GVGAGVSOBWQDJF-NRFANRHFSA-N 1 1 423.454 3.963 20 10 HHCDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1O ZINC000216482739 970075341 /nfs/dbraw/zinc/07/53/41/970075341.db2.gz BJOPWLAHEBKVGL-KRWDZBQOSA-N 1 1 407.470 3.574 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000250590549 970536665 /nfs/dbraw/zinc/53/66/65/970536665.db2.gz WZQRWECBTLQWEA-DHLKQENFSA-N 1 1 410.558 3.662 20 10 HHCDMO Cc1nc(C2(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)CCCC2)no1 ZINC000435567535 980944767 /nfs/dbraw/zinc/94/47/67/980944767.db2.gz QLVZUSZMYICKBB-UHFFFAOYSA-N 1 1 421.545 3.685 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000435808585 981039878 /nfs/dbraw/zinc/03/98/78/981039878.db2.gz KMVQQNPPMYUMFP-NTUVXCKYSA-N 1 1 409.574 3.728 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSc3ccncc32)C1 ZINC000435812024 981040907 /nfs/dbraw/zinc/04/09/07/981040907.db2.gz VOADKTIKQRFJRA-UHFFFAOYSA-N 1 1 406.555 3.942 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000435813235 981041918 /nfs/dbraw/zinc/04/19/18/981041918.db2.gz FPPZVEPHYUVJEL-MRXNPFEDSA-N 1 1 423.561 3.966 20 10 HHCDMO CC(C)c1noc(CCCNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n1 ZINC000444130888 986323690 /nfs/dbraw/zinc/32/36/90/986323690.db2.gz RHMFXQDESVJVHR-UHFFFAOYSA-N 1 1 423.561 3.663 20 10 HHCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000543279168 1008854046 /nfs/dbraw/zinc/85/40/46/1008854046.db2.gz WWFDAWYZWPGBEB-GOSISDBHSA-N 1 1 408.546 3.985 20 10 HHCDMO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520492 1072414924 /nfs/dbraw/zinc/41/49/24/1072414924.db2.gz KQERDOSVXWKENO-GOTSBHOMSA-N 1 1 418.484 3.962 20 10 HHCDMO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520492 1072414928 /nfs/dbraw/zinc/41/49/28/1072414928.db2.gz KQERDOSVXWKENO-GOTSBHOMSA-N 1 1 418.484 3.962 20 10 HHCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001142520663 1072414974 /nfs/dbraw/zinc/41/49/74/1072414974.db2.gz NOEIKAGFZDOQOZ-FCHUYYIVSA-N 1 1 404.457 3.653 20 10 HHCDMO Oc1cc(F)c(F)cc1C[N@H+]1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 ZINC001142520663 1072414976 /nfs/dbraw/zinc/41/49/76/1072414976.db2.gz NOEIKAGFZDOQOZ-FCHUYYIVSA-N 1 1 404.457 3.653 20 10 HHCDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)nn1 ZINC000760543074 1072566711 /nfs/dbraw/zinc/56/67/11/1072566711.db2.gz XFYMZGPPNTWCQR-KRWDZBQOSA-N 1 1 414.550 3.812 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2c2cc[nH]n2)C1 ZINC000571308498 1072600475 /nfs/dbraw/zinc/60/04/75/1072600475.db2.gz KPNITBUVLGJKTM-HSZRJFAPSA-N 1 1 405.546 3.885 20 10 HHCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761152364 1075540063 /nfs/dbraw/zinc/54/00/63/1075540063.db2.gz ZACBLRXFQWXCDF-GASCZTMLSA-N 1 1 407.942 3.566 20 10 HHCDMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000303325388 971631624 /nfs/dbraw/zinc/63/16/24/971631624.db2.gz BPACFHUENJGBQT-LAUBAEHRSA-N 1 1 400.494 3.732 20 10 HHCDMO Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000109109637 969463698 /nfs/dbraw/zinc/46/36/98/969463698.db2.gz ZXSLTHBLEZSNKN-FQEVSTJZSA-N 1 1 401.938 3.684 20 10 HHCDMO C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000139989357 970057443 /nfs/dbraw/zinc/05/74/43/970057443.db2.gz ZXNPQQBRUUALQU-PMACEKPBSA-N 1 1 402.583 3.538 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(N(C)C(N)=O)c2)C1 ZINC000427977627 975372609 /nfs/dbraw/zinc/37/26/09/975372609.db2.gz ZAHJLNZGKPXQGT-UHFFFAOYSA-N 1 1 419.529 3.561 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)CCC(=O)N3)C1 ZINC000435624969 980966208 /nfs/dbraw/zinc/96/62/08/980966208.db2.gz ZABGHZXTCBHOEK-UHFFFAOYSA-N 1 1 416.525 3.931 20 10 HHCDMO CC(=O)Nc1ccc(CNC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cc1 ZINC000435627273 980966624 /nfs/dbraw/zinc/96/66/24/980966624.db2.gz LTLUPBJRUZZEOB-UHFFFAOYSA-N 1 1 418.541 3.683 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([S@](C)=O)cc2)C1 ZINC000435816596 981043288 /nfs/dbraw/zinc/04/32/88/981043288.db2.gz HXEPPHHWKGEOEX-LJAQVGFWSA-N 1 1 409.555 3.784 20 10 HHCDMO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)nn1[C@H](C)C1CC1 ZINC000436021377 981161360 /nfs/dbraw/zinc/16/13/60/981161360.db2.gz INMNDYINBYNRTJ-GOSISDBHSA-N 1 1 419.573 4.522 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC([C@H]3CCCO3)CC2)C1 ZINC000444279245 986468500 /nfs/dbraw/zinc/46/85/00/986468500.db2.gz FGOBBUSGRNXFRF-XMMPIXPASA-N 1 1 409.574 3.825 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)Cc2cccc(O)c2)C1 ZINC000444334555 986512261 /nfs/dbraw/zinc/51/22/61/986512261.db2.gz HQRDRPZHHGGBDB-GOSISDBHSA-N 1 1 405.542 3.861 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000444732177 986903710 /nfs/dbraw/zinc/90/37/10/986903710.db2.gz JQGPOJDJQPKQAP-UHFFFAOYSA-N 1 1 410.606 3.833 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000471830035 990008809 /nfs/dbraw/zinc/00/88/09/990008809.db2.gz BPKFNVNDGIKMMC-NRFANRHFSA-N 1 1 404.558 3.851 20 10 HHCDMO CC(C)c1ncc(CN(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)cn1 ZINC000508301383 1002807385 /nfs/dbraw/zinc/80/73/85/1002807385.db2.gz QVCYEMJVIIRGCC-UHFFFAOYSA-N 1 1 419.573 3.980 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(C(N)=O)cc3)no2)C1 ZINC000519782033 1009004757 /nfs/dbraw/zinc/00/47/57/1009004757.db2.gz OSDVGBHOPWHVAB-UHFFFAOYSA-N 1 1 415.497 3.605 20 10 HHCDMO Cc1nc(CN2CCOC[C@@]3(CCC[N@H+](Cc4cc(F)c(F)cc4O)C3)C2)cs1 ZINC001142520638 1072414959 /nfs/dbraw/zinc/41/49/59/1072414959.db2.gz MVNRHBDQZQYHPH-OAQYLSRUSA-N 1 1 423.529 3.550 20 10 HHCDMO Cc1nc(CN2CCOC[C@@]3(CCC[N@@H+](Cc4cc(F)c(F)cc4O)C3)C2)cs1 ZINC001142520638 1072414960 /nfs/dbraw/zinc/41/49/60/1072414960.db2.gz MVNRHBDQZQYHPH-OAQYLSRUSA-N 1 1 423.529 3.550 20 10 HHCDMO CCOC(=O)c1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@@H]2C)sc(C)c1-c1ccccc1 ZINC000761105529 1075429944 /nfs/dbraw/zinc/42/99/44/1075429944.db2.gz OEDGLFNAFHGREM-WMLDXEAASA-N 1 1 416.543 3.684 20 10 HHCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761149235 1075535301 /nfs/dbraw/zinc/53/53/01/1075535301.db2.gz FIBVNINQGDJEOZ-BEFAXECRSA-N 1 1 413.905 3.645 20 10 HHCDMO COc1cc(Cl)cc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)c1O ZINC000761198545 1075581390 /nfs/dbraw/zinc/58/13/90/1075581390.db2.gz KCDKHFDCOSMMOY-GOSISDBHSA-N 1 1 411.329 3.559 20 10 HHCDMO COc1cc(N2CC[NH+](Cc3cc4ccccc4nc3OC)CC2)cc(OC)c1OC ZINC000761220765 1075646884 /nfs/dbraw/zinc/64/68/84/1075646884.db2.gz XOCXCQVAVSRZIE-UHFFFAOYSA-N 1 1 423.513 3.591 20 10 HHCDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000302831963 971340653 /nfs/dbraw/zinc/34/06/53/971340653.db2.gz DRZBHCKBLZRRGX-QGZVFWFLSA-N 1 1 404.894 3.674 20 10 HHCDMO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000302831963 971340661 /nfs/dbraw/zinc/34/06/61/971340661.db2.gz DRZBHCKBLZRRGX-QGZVFWFLSA-N 1 1 404.894 3.674 20 10 HHCDMO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000302833737 971342012 /nfs/dbraw/zinc/34/20/12/971342012.db2.gz QCWJIQUAZFVMMM-WMZOPIPTSA-N 1 1 402.922 3.904 20 10 HHCDMO C[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000302833737 971342017 /nfs/dbraw/zinc/34/20/17/971342017.db2.gz QCWJIQUAZFVMMM-WMZOPIPTSA-N 1 1 402.922 3.904 20 10 HHCDMO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000303222608 971567350 /nfs/dbraw/zinc/56/73/50/971567350.db2.gz VSJPDASEMMTLIO-ROUUACIJSA-N 1 1 408.546 3.583 20 10 HHCDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1C#N ZINC000303410258 971688351 /nfs/dbraw/zinc/68/83/51/971688351.db2.gz URSYFDFXSRLPNW-UHFFFAOYSA-N 1 1 420.488 3.940 20 10 HHCDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2ccccc2O)c1C#N ZINC000303410258 971688358 /nfs/dbraw/zinc/68/83/58/971688358.db2.gz URSYFDFXSRLPNW-UHFFFAOYSA-N 1 1 420.488 3.940 20 10 HHCDMO O=S(=O)(c1ccccc1Cl)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000024104719 963942767 /nfs/dbraw/zinc/94/27/67/963942767.db2.gz FGHCBZUGVYEQBT-UHFFFAOYSA-N 1 1 416.930 3.705 20 10 HHCDMO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971040 969068644 /nfs/dbraw/zinc/06/86/44/969068644.db2.gz PPBULQUPLJESNK-QGZVFWFLSA-N 1 1 420.912 3.824 20 10 HHCDMO CN(C)c1ccc(CNC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000116204224 969880492 /nfs/dbraw/zinc/88/04/92/969880492.db2.gz OYGWERZGBOSGEG-NRFANRHFSA-N 1 1 405.464 3.823 20 10 HHCDMO COc1ccc(N2CCC[N@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC2)cc1 ZINC000226810863 970112173 /nfs/dbraw/zinc/11/21/73/970112173.db2.gz PRNVGGMYKLSLPL-XMMPIXPASA-N 1 1 407.558 3.961 20 10 HHCDMO CN1CCCc2cc(CNC(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000148965090 970377281 /nfs/dbraw/zinc/37/72/81/970377281.db2.gz CBRGLFGKXBAIFV-IBGZPJMESA-N 1 1 412.603 3.842 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000435618580 980964193 /nfs/dbraw/zinc/96/41/93/980964193.db2.gz ZJYFVVFGVYULSY-UHFFFAOYSA-N 1 1 424.932 3.799 20 10 HHCDMO COC(=O)c1sccc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435674326 980982709 /nfs/dbraw/zinc/98/27/09/980982709.db2.gz YEZYLJLDRXDTPY-UHFFFAOYSA-N 1 1 411.527 3.895 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000435813234 981041705 /nfs/dbraw/zinc/04/17/05/981041705.db2.gz FPPZVEPHYUVJEL-INIZCTEOSA-N 1 1 423.561 3.966 20 10 HHCDMO CCOC(=O)c1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cn1C ZINC000435818264 981044400 /nfs/dbraw/zinc/04/44/00/981044400.db2.gz OKMOGASHYFVWQB-UHFFFAOYSA-N 1 1 422.529 3.562 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C3CCOCC3)C2)C1 ZINC000435916841 981091419 /nfs/dbraw/zinc/09/14/19/981091419.db2.gz KDMZQABIBRKHTE-FQEVSTJZSA-N 1 1 409.574 3.683 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@]2(C)CCO[C@H]2C2CC2)C1 ZINC000436004155 981147114 /nfs/dbraw/zinc/14/71/14/981147114.db2.gz JJLWAHXWNGNLMC-LOSJGSFVSA-N 1 1 409.574 3.729 20 10 HHCDMO Cc1cc(NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)nn1[C@@H](C)C1CC1 ZINC000436021378 981161460 /nfs/dbraw/zinc/16/14/60/981161460.db2.gz INMNDYINBYNRTJ-SFHVURJKSA-N 1 1 419.573 4.522 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCn2cnc3ccccc32)C1 ZINC000444095819 986294195 /nfs/dbraw/zinc/29/41/95/986294195.db2.gz HNTWOSDDKPWJOU-UHFFFAOYSA-N 1 1 415.541 3.574 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H](C)[C@@H](n3ccnc3)C2)C1 ZINC000444273967 986465853 /nfs/dbraw/zinc/46/58/53/986465853.db2.gz VSMLAJAWSZYGPQ-CYFREDJKSA-N 1 1 419.573 3.714 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000497403436 1001341201 /nfs/dbraw/zinc/34/12/01/1001341201.db2.gz HDJIYAAXFGCXHY-GOTSBHOMSA-N 1 1 405.542 3.732 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000501299986 1004339583 /nfs/dbraw/zinc/33/95/83/1004339583.db2.gz IVIWMDZZYRMRDU-YLJYHZDGSA-N 1 1 405.489 3.684 20 10 HHCDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760314345 1072241322 /nfs/dbraw/zinc/24/13/22/1072241322.db2.gz FHIVTPMEEWGHDN-FGZHOGPDSA-N 1 1 410.949 3.961 20 10 HHCDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760314345 1072241325 /nfs/dbraw/zinc/24/13/25/1072241325.db2.gz FHIVTPMEEWGHDN-FGZHOGPDSA-N 1 1 410.949 3.961 20 10 HHCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cn3cc(Br)cc(C)c3n2)c1 ZINC000760881673 1074479898 /nfs/dbraw/zinc/47/98/98/1074479898.db2.gz QVMVCVHRMVIOMB-GFCCVEGCSA-N 1 1 418.291 3.748 20 10 HHCDMO COc1cc(Cl)cc(C[NH2+]Cc2csc(CNC(=O)c3ccccc3)n2)c1O ZINC000761214256 1075626077 /nfs/dbraw/zinc/62/60/77/1075626077.db2.gz BPIUXCHFJTWRRA-UHFFFAOYSA-N 1 1 417.918 3.731 20 10 HHCDMO COc1cc(N2CC[NH+](Cc3c(C)nn(C(C)(C)C)c3C)CC2)cc(OC)c1OC ZINC000761219279 1075643374 /nfs/dbraw/zinc/64/33/74/1075643374.db2.gz MHSRWXSENVJCHJ-UHFFFAOYSA-N 1 1 416.566 3.603 20 10 HHCDMO COc1cc(N2CC[NH+](Cc3ccccc3OCC3CC3)CC2)cc(OC)c1OC ZINC000761220736 1075647007 /nfs/dbraw/zinc/64/70/07/1075647007.db2.gz WZOLKJHYUVRULT-UHFFFAOYSA-N 1 1 412.530 3.823 20 10 HHCDMO C[C@@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000302833734 971341872 /nfs/dbraw/zinc/34/18/72/971341872.db2.gz QCWJIQUAZFVMMM-AEFFLSMTSA-N 1 1 402.922 3.904 20 10 HHCDMO C[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccc1Cl ZINC000302833734 971341876 /nfs/dbraw/zinc/34/18/76/971341876.db2.gz QCWJIQUAZFVMMM-AEFFLSMTSA-N 1 1 402.922 3.904 20 10 HHCDMO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)n1-c1cccc(C)c1 ZINC000303332953 971637004 /nfs/dbraw/zinc/63/70/04/971637004.db2.gz UBNSLSWPOKMAAC-QHCPKHFHSA-N 1 1 408.590 3.645 20 10 HHCDMO COc1ccc(N2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000097494601 969147387 /nfs/dbraw/zinc/14/73/87/969147387.db2.gz HKVLXEHIZKDQLK-UHFFFAOYSA-N 1 1 418.335 3.609 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000097494601 969147391 /nfs/dbraw/zinc/14/73/91/969147391.db2.gz HKVLXEHIZKDQLK-UHFFFAOYSA-N 1 1 418.335 3.609 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)NCCc3ccc(C(C)C)cc3)CC2)cc1 ZINC000108092881 969356822 /nfs/dbraw/zinc/35/68/22/969356822.db2.gz HXBMIQJVDOFHAX-UHFFFAOYSA-N 1 1 409.574 3.690 20 10 HHCDMO Cc1nc(C[NH+]2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cs1 ZINC000111214751 969806125 /nfs/dbraw/zinc/80/61/25/969806125.db2.gz HTBUEKBBUNXJAP-UHFFFAOYSA-N 1 1 412.603 3.970 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@@H]2c2ccnn2C)C1 ZINC000410292946 973825405 /nfs/dbraw/zinc/82/54/05/973825405.db2.gz JDDBEJNWZWHCLX-XMMPIXPASA-N 1 1 419.573 3.895 20 10 HHCDMO Cc1noc2ncc(NC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)cc12 ZINC000435805931 981038519 /nfs/dbraw/zinc/03/85/19/981038519.db2.gz ZBYBBVHWSFFUGA-UHFFFAOYSA-N 1 1 403.486 3.891 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(CC(F)(F)F)c2)C1 ZINC000435861173 981064129 /nfs/dbraw/zinc/06/41/29/981064129.db2.gz IEJSGFQSNQSAAH-UHFFFAOYSA-N 1 1 419.451 3.805 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC(=O)Nc2ccccc2)C1 ZINC000435871074 981070198 /nfs/dbraw/zinc/07/01/98/981070198.db2.gz QMJGVTCKVPQQFT-UHFFFAOYSA-N 1 1 418.541 3.553 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000435906717 981086580 /nfs/dbraw/zinc/08/65/80/981086580.db2.gz HRXRCRFYBVFBRB-WOJBJXKFSA-N 1 1 409.574 3.683 20 10 HHCDMO CC[NH+](CC)CC1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444145215 986331794 /nfs/dbraw/zinc/33/17/94/986331794.db2.gz ODXGVKXQRGXADA-UHFFFAOYSA-N 1 1 424.633 3.988 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000444239466 986430091 /nfs/dbraw/zinc/43/00/91/986430091.db2.gz BKPSLFVTLMKSDL-NRFANRHFSA-N 1 1 422.617 3.598 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000444239466 986430102 /nfs/dbraw/zinc/43/01/02/986430102.db2.gz BKPSLFVTLMKSDL-NRFANRHFSA-N 1 1 422.617 3.598 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2ccc3c(c2)CCO3)C1 ZINC000516236964 1006966972 /nfs/dbraw/zinc/96/69/72/1006966972.db2.gz SNDKQERIAYDXFX-UHFFFAOYSA-N 1 1 403.526 3.659 20 10 HHCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(-c4ccoc4)c3)CC2)cc1 ZINC000760382135 1072308564 /nfs/dbraw/zinc/30/85/64/1072308564.db2.gz MDDYXJQJECPRQS-UHFFFAOYSA-N 1 1 405.498 3.507 20 10 HHCDMO CO[C@@](C)(C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1F ZINC000760454574 1072361811 /nfs/dbraw/zinc/36/18/11/1072361811.db2.gz LHVYIBBBFADPQB-HTAPYJJXSA-N 1 1 420.912 3.827 20 10 HHCDMO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520491 1072414864 /nfs/dbraw/zinc/41/48/64/1072414864.db2.gz KQERDOSVXWKENO-DHIUTWEWSA-N 1 1 418.484 3.962 20 10 HHCDMO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520491 1072414871 /nfs/dbraw/zinc/41/48/71/1072414871.db2.gz KQERDOSVXWKENO-DHIUTWEWSA-N 1 1 418.484 3.962 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3cnc4cnccn43)no2)C1 ZINC000571413496 1072615542 /nfs/dbraw/zinc/61/55/42/1072615542.db2.gz MPTRAFIRNHXOIV-UHFFFAOYSA-N 1 1 413.485 3.549 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(-c3ccc(N(C)C)nc3)no2)C1 ZINC000567961903 1074085084 /nfs/dbraw/zinc/08/50/84/1074085084.db2.gz PGRUPMWBQIYBTB-UHFFFAOYSA-N 1 1 416.529 3.967 20 10 HHCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1O ZINC000761192648 1075576864 /nfs/dbraw/zinc/57/68/64/1075576864.db2.gz WLYPHPZUBLROQP-LBPRGKRZSA-N 1 1 410.301 3.953 20 10 HHCDMO COc1ccc(N2CCC[N@H+](Cc3ccc(OC)c(O)c3Br)CC2)cc1 ZINC000761192603 1075576993 /nfs/dbraw/zinc/57/69/93/1075576993.db2.gz TZIDGPBANFVUHM-UHFFFAOYSA-N 1 1 421.335 3.884 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(OC)c(O)c3Br)CC2)cc1 ZINC000761192603 1075576995 /nfs/dbraw/zinc/57/69/95/1075576995.db2.gz TZIDGPBANFVUHM-UHFFFAOYSA-N 1 1 421.335 3.884 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1nc2ccc(F)cc2s1 ZINC000302832370 971340706 /nfs/dbraw/zinc/34/07/06/971340706.db2.gz HSNALLRATNIFKA-INIZCTEOSA-N 1 1 415.490 3.761 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1nc2ccc(F)cc2s1 ZINC000302832370 971340710 /nfs/dbraw/zinc/34/07/10/971340710.db2.gz HSNALLRATNIFKA-INIZCTEOSA-N 1 1 415.490 3.761 20 10 HHCDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl ZINC000302833539 971341993 /nfs/dbraw/zinc/34/19/93/971341993.db2.gz OHMHBRKSPSOEIV-QGZVFWFLSA-N 1 1 404.894 3.674 20 10 HHCDMO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1Cl ZINC000302833539 971341997 /nfs/dbraw/zinc/34/19/97/971341997.db2.gz OHMHBRKSPSOEIV-QGZVFWFLSA-N 1 1 404.894 3.674 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000302833705 971342033 /nfs/dbraw/zinc/34/20/33/971342033.db2.gz PTRPSFORYCQELY-INIZCTEOSA-N 1 1 419.865 3.574 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000302833705 971342036 /nfs/dbraw/zinc/34/20/36/971342036.db2.gz PTRPSFORYCQELY-INIZCTEOSA-N 1 1 419.865 3.574 20 10 HHCDMO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000303793399 972031675 /nfs/dbraw/zinc/03/16/75/972031675.db2.gz QQJMFEDUKXAUPM-CPJSRVTESA-N 1 1 421.585 3.707 20 10 HHCDMO C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000303793399 972031680 /nfs/dbraw/zinc/03/16/80/972031680.db2.gz QQJMFEDUKXAUPM-CPJSRVTESA-N 1 1 421.585 3.707 20 10 HHCDMO C[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000011193304 962026776 /nfs/dbraw/zinc/02/67/76/962026776.db2.gz RDYFWNLZOADADS-FQEVSTJZSA-N 1 1 417.553 3.986 20 10 HHCDMO C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000011193304 962026791 /nfs/dbraw/zinc/02/67/91/962026791.db2.gz RDYFWNLZOADADS-FQEVSTJZSA-N 1 1 417.553 3.986 20 10 HHCDMO C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000011193305 962027199 /nfs/dbraw/zinc/02/71/99/962027199.db2.gz RDYFWNLZOADADS-HXUWFJFHSA-N 1 1 417.553 3.986 20 10 HHCDMO C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000011193305 962027217 /nfs/dbraw/zinc/02/72/17/962027217.db2.gz RDYFWNLZOADADS-HXUWFJFHSA-N 1 1 417.553 3.986 20 10 HHCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1Br ZINC000015571949 962796974 /nfs/dbraw/zinc/79/69/74/962796974.db2.gz UFUWERGODXAFBZ-UHFFFAOYSA-N 1 1 405.336 3.926 20 10 HHCDMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000051283582 964524002 /nfs/dbraw/zinc/52/40/02/964524002.db2.gz BUOMETSLDMYCRL-NRFANRHFSA-N 1 1 411.546 3.565 20 10 HHCDMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000051283582 964524010 /nfs/dbraw/zinc/52/40/10/964524010.db2.gz BUOMETSLDMYCRL-NRFANRHFSA-N 1 1 411.546 3.565 20 10 HHCDMO CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC000096971106 969068297 /nfs/dbraw/zinc/06/82/97/969068297.db2.gz RVTNKPZVKHSVBK-GMAHTHKFSA-N 1 1 408.542 3.909 20 10 HHCDMO COc1ccc(N2CCC[N@H+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000097494602 969147513 /nfs/dbraw/zinc/14/75/13/969147513.db2.gz LVGGLUBTQQIDNQ-UHFFFAOYSA-N 1 1 423.435 3.745 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000097494602 969147517 /nfs/dbraw/zinc/14/75/17/969147517.db2.gz LVGGLUBTQQIDNQ-UHFFFAOYSA-N 1 1 423.435 3.745 20 10 HHCDMO CN(C)c1ccc(C[N@@H+](C)Cn2ccc(=O)c3cccc(Br)c32)cc1 ZINC000110441417 969668793 /nfs/dbraw/zinc/66/87/93/969668793.db2.gz JKHOAEYBYIHIAR-UHFFFAOYSA-N 1 1 400.320 3.920 20 10 HHCDMO CCC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1ccccc1O ZINC000110738516 969715668 /nfs/dbraw/zinc/71/56/68/969715668.db2.gz ATSICGCWUSUHQT-NRFANRHFSA-N 1 1 412.530 3.985 20 10 HHCDMO CN(c1ccc(CNC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1)C1CCCCC1 ZINC000195717882 969978518 /nfs/dbraw/zinc/97/85/18/969978518.db2.gz DHFAMNXBJZJRLN-UHFFFAOYSA-N 1 1 423.605 3.717 20 10 HHCDMO Cc1sc2nc([C@H](C)[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C ZINC000140203257 970068083 /nfs/dbraw/zinc/06/80/83/970068083.db2.gz WNZRKXZMGDSOAQ-CABCVRRESA-N 1 1 412.559 3.850 20 10 HHCDMO CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)[C@@H]1CCCc2ccccc21 ZINC000216473174 970075311 /nfs/dbraw/zinc/07/53/11/970075311.db2.gz RVTNKPZVKHSVBK-FYYLOGMGSA-N 1 1 408.542 3.909 20 10 HHCDMO COC(=O)c1ccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)s1 ZINC000435613043 980962645 /nfs/dbraw/zinc/96/26/45/980962645.db2.gz IPWXWAWNSPIATL-UHFFFAOYSA-N 1 1 411.527 3.895 20 10 HHCDMO COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1ccccc1 ZINC000435719215 981000860 /nfs/dbraw/zinc/00/08/60/981000860.db2.gz JVKSTHAAEPHGFX-JOCHJYFZSA-N 1 1 405.542 3.912 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000435808583 981039728 /nfs/dbraw/zinc/03/97/28/981039728.db2.gz KMVQQNPPMYUMFP-DQMJNTIXSA-N 1 1 409.574 3.728 20 10 HHCDMO COC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1ccc(C)o1 ZINC000435809463 981040239 /nfs/dbraw/zinc/04/02/39/981040239.db2.gz MQEMUFQNWOAGEI-HXUWFJFHSA-N 1 1 409.530 3.813 20 10 HHCDMO CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[C@@H](C)C1 ZINC000435826451 981047905 /nfs/dbraw/zinc/04/79/05/981047905.db2.gz LGCLBJNUWYZGEF-UGKGYDQZSA-N 1 1 410.606 3.597 20 10 HHCDMO CC[NH+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)[C@@H](C)C1 ZINC000435826451 981047911 /nfs/dbraw/zinc/04/79/11/981047911.db2.gz LGCLBJNUWYZGEF-UGKGYDQZSA-N 1 1 410.606 3.597 20 10 HHCDMO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[C@@H](C)C1 ZINC000435826451 981047915 /nfs/dbraw/zinc/04/79/15/981047915.db2.gz LGCLBJNUWYZGEF-UGKGYDQZSA-N 1 1 410.606 3.597 20 10 HHCDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[C@@H](C)C1 ZINC000435826451 981047922 /nfs/dbraw/zinc/04/79/22/981047922.db2.gz LGCLBJNUWYZGEF-UGKGYDQZSA-N 1 1 410.606 3.597 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnccc2-n2cccn2)C1 ZINC000435873307 981071603 /nfs/dbraw/zinc/07/16/03/981071603.db2.gz CKENKJYJUULGFJ-UHFFFAOYSA-N 1 1 414.513 3.627 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccccc2C[NH+](C)C)C1 ZINC000443916367 986118017 /nfs/dbraw/zinc/11/80/17/986118017.db2.gz AKLMNQCPMUZOEJ-UHFFFAOYSA-N 1 1 418.585 3.786 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)C1 ZINC000473416229 994268681 /nfs/dbraw/zinc/26/86/81/994268681.db2.gz XWORFUVRAYVUMI-KRWDZBQOSA-N 1 1 421.545 3.664 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)O[C@H](C)C3)ccc21 ZINC000482011663 994917966 /nfs/dbraw/zinc/91/79/66/994917966.db2.gz CIKIDBDSIFDITF-IAGOWNOFSA-N 1 1 415.578 3.522 20 10 HHCDMO O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C2=S=CC=C2)o1 ZINC000544009141 1009610337 /nfs/dbraw/zinc/61/03/37/1009610337.db2.gz GOZZKXFDDBIQFW-SFHVURJKSA-N 1 1 418.522 3.801 20 10 HHCDMO CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000541094001 1011738739 /nfs/dbraw/zinc/73/87/39/1011738739.db2.gz OYBIFMJTFGGYRE-UHFFFAOYSA-N 1 1 412.559 3.732 20 10 HHCDMO CCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c(O)c1 ZINC000729682885 1071803368 /nfs/dbraw/zinc/80/33/68/1071803368.db2.gz GWHZDFXFGSSOFW-KRWDZBQOSA-N 1 1 401.526 3.923 20 10 HHCDMO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520494 1072414999 /nfs/dbraw/zinc/41/49/99/1072414999.db2.gz KQERDOSVXWKENO-XZOQPEGZSA-N 1 1 418.484 3.962 20 10 HHCDMO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@@H+](Cc2cc(F)c(F)cc2O)C3)n1 ZINC001142520494 1072415002 /nfs/dbraw/zinc/41/50/02/1072415002.db2.gz KQERDOSVXWKENO-XZOQPEGZSA-N 1 1 418.484 3.962 20 10 HHCDMO COCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001142525099 1072419321 /nfs/dbraw/zinc/41/93/21/1072419321.db2.gz XHZIJUMBUPLUCY-UHFFFAOYSA-N 1 1 400.466 3.518 20 10 HHCDMO COCC[N@H+](Cc1cc(F)c(F)cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001142525099 1072419327 /nfs/dbraw/zinc/41/93/27/1072419327.db2.gz XHZIJUMBUPLUCY-UHFFFAOYSA-N 1 1 400.466 3.518 20 10 HHCDMO COCC[N@@H+](Cc1cc(F)c(F)cc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001142525099 1072419331 /nfs/dbraw/zinc/41/93/31/1072419331.db2.gz XHZIJUMBUPLUCY-UHFFFAOYSA-N 1 1 400.466 3.518 20 10 HHCDMO COc1cc(N2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)cc(OC)c1OC ZINC000761218923 1075636739 /nfs/dbraw/zinc/63/67/39/1075636739.db2.gz MCDYRFDWYZLZLM-UHFFFAOYSA-N 1 1 412.530 3.748 20 10 HHCDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000303034068 971468811 /nfs/dbraw/zinc/46/88/11/971468811.db2.gz 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COc1ccc(N2CCC[N@@H+](CC(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000097476963 969143658 /nfs/dbraw/zinc/14/36/58/969143658.db2.gz BGEAMOLGHYVUSC-KRWDZBQOSA-N 1 1 401.938 3.738 20 10 HHCDMO Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C ZINC000140203086 970067913 /nfs/dbraw/zinc/06/79/13/970067913.db2.gz WNZRKXZMGDSOAQ-GJZGRUSLSA-N 1 1 412.559 3.850 20 10 HHCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000141322690 970109443 /nfs/dbraw/zinc/10/94/43/970109443.db2.gz SKNKCWOFLAJMLK-IBGZPJMESA-N 1 1 410.562 3.535 20 10 HHCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000227372832 970117703 /nfs/dbraw/zinc/11/77/03/970117703.db2.gz AOTYZQWUZGQZEW-NZQKXSOJSA-N 1 1 422.573 3.500 20 10 HHCDMO Cc1noc(C2CCN(C(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)CC2)n1 ZINC000435502487 980906493 /nfs/dbraw/zinc/90/64/93/980906493.db2.gz VINZHQQNZXVUQE-UHFFFAOYSA-N 1 1 421.545 3.505 20 10 HHCDMO COc1ccc(OC)c(CNC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000435652986 980975354 /nfs/dbraw/zinc/97/53/54/980975354.db2.gz DWFMGOOCDPLDMC-UHFFFAOYSA-N 1 1 421.541 3.741 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C2CC[NH+](C(C)C)CC2)C1 ZINC000435663227 980978152 /nfs/dbraw/zinc/97/81/52/980978152.db2.gz HWZPPXKEHUPCCL-UHFFFAOYSA-N 1 1 410.606 3.739 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000435818790 981044249 /nfs/dbraw/zinc/04/42/49/981044249.db2.gz NWMMRSRWBZGVLW-UHFFFAOYSA-N 1 1 405.546 3.503 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc(CN(C)C)ccn2)C1 ZINC000435818790 981044254 /nfs/dbraw/zinc/04/42/54/981044254.db2.gz NWMMRSRWBZGVLW-UHFFFAOYSA-N 1 1 405.546 3.503 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000435861748 981064062 /nfs/dbraw/zinc/06/40/62/981064062.db2.gz WDUNEQDQLRGMRA-NRFANRHFSA-N 1 1 422.617 3.885 20 10 HHCDMO Cc1noc(C)c1C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435876412 981073612 /nfs/dbraw/zinc/07/36/12/981073612.db2.gz YHMTZUJRPOCZDS-INIZCTEOSA-N 1 1 408.546 3.760 20 10 HHCDMO CC[C@H](C)n1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1C ZINC000436024831 981163607 /nfs/dbraw/zinc/16/36/07/981163607.db2.gz UPUKHFCICZAHTG-KRWDZBQOSA-N 1 1 407.562 4.522 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(Cc2ccncc2)C2CC2)C1 ZINC000444021200 986213553 /nfs/dbraw/zinc/21/35/53/986213553.db2.gz LJLYYKWUHTYPBO-UHFFFAOYSA-N 1 1 402.542 3.994 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000444148343 986333456 /nfs/dbraw/zinc/33/34/56/986333456.db2.gz SZTIJQVSETVOEB-FQEVSTJZSA-N 1 1 410.606 3.644 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000444148343 986333465 /nfs/dbraw/zinc/33/34/65/986333465.db2.gz SZTIJQVSETVOEB-FQEVSTJZSA-N 1 1 410.606 3.644 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000444239288 986430515 /nfs/dbraw/zinc/43/05/15/986430515.db2.gz MDDIGKBZGQHRJC-UHFFFAOYSA-N 1 1 410.606 3.598 20 10 HHCDMO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000444251367 986446656 /nfs/dbraw/zinc/44/66/56/986446656.db2.gz SXYSUPKTKGFYPO-FQEVSTJZSA-N 1 1 410.606 3.598 20 10 HHCDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C1 ZINC000444251367 986446662 /nfs/dbraw/zinc/44/66/62/986446662.db2.gz SXYSUPKTKGFYPO-FQEVSTJZSA-N 1 1 410.606 3.598 20 10 HHCDMO CC[NH+]1CCC(CCNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444252593 986447340 /nfs/dbraw/zinc/44/73/40/986447340.db2.gz WJWNCFDRQPULHT-UHFFFAOYSA-N 1 1 410.606 3.646 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1 ZINC000444273968 986466282 /nfs/dbraw/zinc/46/62/82/986466282.db2.gz VSMLAJAWSZYGPQ-DVECYGJZSA-N 1 1 419.573 3.714 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000472190579 993229951 /nfs/dbraw/zinc/22/99/51/993229951.db2.gz NJQWZBIVKZDPNL-NRFANRHFSA-N 1 1 420.557 3.577 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)C1 ZINC000473416230 994268741 /nfs/dbraw/zinc/26/87/41/994268741.db2.gz XWORFUVRAYVUMI-QGZVFWFLSA-N 1 1 421.545 3.664 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)ccc21 ZINC000481931773 994803308 /nfs/dbraw/zinc/80/33/08/994803308.db2.gz KULNRQWRGARFRB-UHFFFAOYSA-N 1 1 406.530 3.570 20 10 HHCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C3)c2c1 ZINC000760430422 1072349990 /nfs/dbraw/zinc/34/99/90/1072349990.db2.gz ZXQJDYKRMURNBN-BTYIYWSLSA-N 1 1 416.518 3.668 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000913204566 1072347794 /nfs/dbraw/zinc/34/77/94/1072347794.db2.gz HLQZBLGEFKLNMY-UHFFFAOYSA-N 1 1 409.452 3.742 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000913204566 1072347798 /nfs/dbraw/zinc/34/77/98/1072347798.db2.gz HLQZBLGEFKLNMY-UHFFFAOYSA-N 1 1 409.452 3.742 20 10 HHCDMO O=C(NCc1ccc(O)cc1O)[C@@H](F)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC001142533685 1072428218 /nfs/dbraw/zinc/42/82/18/1072428218.db2.gz QGOZOHDIIONEBN-QFIPXVFZSA-N 1 1 408.473 3.755 20 10 HHCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000761225700 1075664460 /nfs/dbraw/zinc/66/44/60/1075664460.db2.gz HCWFXCUQTDJLKL-QFIPXVFZSA-N 1 1 419.529 3.538 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302831660 971339414 /nfs/dbraw/zinc/33/94/14/971339414.db2.gz CRFNOMHGQWCLCY-INIZCTEOSA-N 1 1 419.865 3.574 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302831660 971339418 /nfs/dbraw/zinc/33/94/18/971339418.db2.gz CRFNOMHGQWCLCY-INIZCTEOSA-N 1 1 419.865 3.574 20 10 HHCDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000302833538 971341710 /nfs/dbraw/zinc/34/17/10/971341710.db2.gz OHMHBRKSPSOEIV-KRWDZBQOSA-N 1 1 404.894 3.674 20 10 HHCDMO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1Cl ZINC000302833538 971341724 /nfs/dbraw/zinc/34/17/24/971341724.db2.gz OHMHBRKSPSOEIV-KRWDZBQOSA-N 1 1 404.894 3.674 20 10 HHCDMO O=C1c2ccccc2C(=O)N1CCC1=CCN(c2cc[nH+]cc2Br)CC1 ZINC000553224456 1013190085 /nfs/dbraw/zinc/19/00/85/1013190085.db2.gz YOZGGISEUCXFAS-UHFFFAOYSA-N 1 1 412.287 3.667 20 10 HHCDMO C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000010056336 961735053 /nfs/dbraw/zinc/73/50/53/961735053.db2.gz QXWOQVIKQLGEFA-QFIPXVFZSA-N 1 1 420.601 3.846 20 10 HHCDMO COC(=O)c1sccc1NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000011193258 962026576 /nfs/dbraw/zinc/02/65/76/962026576.db2.gz ZWKPIFXVGYOICQ-UHFFFAOYSA-N 1 1 401.532 3.596 20 10 HHCDMO COC(=O)c1sccc1NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000011193258 962026586 /nfs/dbraw/zinc/02/65/86/962026586.db2.gz ZWKPIFXVGYOICQ-UHFFFAOYSA-N 1 1 401.532 3.596 20 10 HHCDMO C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(N2CCCCC2)cc1 ZINC000016386724 963028867 /nfs/dbraw/zinc/02/88/67/963028867.db2.gz NACIOABOWNFRNS-UHFFFAOYSA-N 1 1 409.530 3.909 20 10 HHCDMO C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)Cc1ccc(N2CCCCC2)cc1 ZINC000016386724 963028879 /nfs/dbraw/zinc/02/88/79/963028879.db2.gz NACIOABOWNFRNS-UHFFFAOYSA-N 1 1 409.530 3.909 20 10 HHCDMO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000216472662 970075498 /nfs/dbraw/zinc/07/54/98/970075498.db2.gz GLGCDIHAZVCXRG-MRXNPFEDSA-N 1 1 408.951 3.747 20 10 HHCDMO CCOc1ccc(O)c(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)c1 ZINC000237077468 970218941 /nfs/dbraw/zinc/21/89/41/970218941.db2.gz MBHKIFZGKMHJHJ-UHFFFAOYSA-N 1 1 423.479 3.851 20 10 HHCDMO CN(C)c1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)cc1 ZINC000237233553 970245516 /nfs/dbraw/zinc/24/55/16/970245516.db2.gz PIKHMRPHYNLZHT-UHFFFAOYSA-N 1 1 406.496 3.813 20 10 HHCDMO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1ccccc1 ZINC000435719216 981000781 /nfs/dbraw/zinc/00/07/81/981000781.db2.gz JVKSTHAAEPHGFX-QFIPXVFZSA-N 1 1 405.542 3.912 20 10 HHCDMO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435803956 981037937 /nfs/dbraw/zinc/03/79/37/981037937.db2.gz LYBWZDKPFWGRSF-KRWDZBQOSA-N 1 1 421.589 3.506 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000435867009 981066631 /nfs/dbraw/zinc/06/66/31/981066631.db2.gz JTZZBWULJLJCNW-NRFANRHFSA-N 1 1 422.617 3.885 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000444148344 986333345 /nfs/dbraw/zinc/33/33/45/986333345.db2.gz SZTIJQVSETVOEB-HXUWFJFHSA-N 1 1 410.606 3.644 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000444148344 986333351 /nfs/dbraw/zinc/33/33/51/986333351.db2.gz SZTIJQVSETVOEB-HXUWFJFHSA-N 1 1 410.606 3.644 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000444284898 986473280 /nfs/dbraw/zinc/47/32/80/986473280.db2.gz VHUJDBHPWWZAMT-HXUWFJFHSA-N 1 1 408.590 3.541 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000444284898 986473286 /nfs/dbraw/zinc/47/32/86/986473286.db2.gz VHUJDBHPWWZAMT-HXUWFJFHSA-N 1 1 408.590 3.541 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000481906001 994778144 /nfs/dbraw/zinc/77/81/44/994778144.db2.gz HFADEZCQCSOOGZ-QFIPXVFZSA-N 1 1 405.542 3.909 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC000497403438 1001341377 /nfs/dbraw/zinc/34/13/77/1001341377.db2.gz HDJIYAAXFGCXHY-PKTZIBPZSA-N 1 1 405.542 3.732 20 10 HHCDMO Cc1ccccc1[C@H](CO)NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000514837982 1006165803 /nfs/dbraw/zinc/16/58/03/1006165803.db2.gz UPPKBEVEAWEJJX-QFIPXVFZSA-N 1 1 405.542 3.566 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000760368576 1072282491 /nfs/dbraw/zinc/28/24/91/1072282491.db2.gz QESXZGYUXDEYEI-LEWJYISDSA-N 1 1 400.954 3.993 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000760368576 1072282501 /nfs/dbraw/zinc/28/25/01/1072282501.db2.gz QESXZGYUXDEYEI-LEWJYISDSA-N 1 1 400.954 3.993 20 10 HHCDMO CCCCn1ncc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1CC ZINC000760454882 1072361398 /nfs/dbraw/zinc/36/13/98/1072361398.db2.gz MQJGQMWIKPVKRY-GOSISDBHSA-N 1 1 418.969 3.999 20 10 HHCDMO CO[C@](C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccccc1F ZINC000760454580 1072361740 /nfs/dbraw/zinc/36/17/40/1072361740.db2.gz LHVYIBBBFADPQB-VGSWGCGISA-N 1 1 420.912 3.827 20 10 HHCDMO Oc1cc(F)c(F)cc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001142520694 1072415515 /nfs/dbraw/zinc/41/55/15/1072415515.db2.gz NXAPUMCZJYVVIP-IBGZPJMESA-N 1 1 413.390 3.942 20 10 HHCDMO Oc1cc(F)c(F)cc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC001142520694 1072415517 /nfs/dbraw/zinc/41/55/17/1072415517.db2.gz NXAPUMCZJYVVIP-IBGZPJMESA-N 1 1 413.390 3.942 20 10 HHCDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C2)nn1 ZINC000760543077 1072566630 /nfs/dbraw/zinc/56/66/30/1072566630.db2.gz XFYMZGPPNTWCQR-QGZVFWFLSA-N 1 1 414.550 3.812 20 10 HHCDMO CC(C)[N@@H+](C)Cc1ccccc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761004146 1075150212 /nfs/dbraw/zinc/15/02/12/1075150212.db2.gz LMHFWXFMGKKQNG-UHFFFAOYSA-N 1 1 415.921 3.850 20 10 HHCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761149248 1075535297 /nfs/dbraw/zinc/53/52/97/1075535297.db2.gz FIBVNINQGDJEOZ-KXBFYZLASA-N 1 1 413.905 3.645 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1Br ZINC000302833489 971341422 /nfs/dbraw/zinc/34/14/22/971341422.db2.gz NLLSTGHEPYVYIM-MRXNPFEDSA-N 1 1 419.319 3.774 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccccc1Br ZINC000302833489 971341431 /nfs/dbraw/zinc/34/14/31/971341431.db2.gz NLLSTGHEPYVYIM-MRXNPFEDSA-N 1 1 419.319 3.774 20 10 HHCDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)[C@H](C)C1 ZINC000303726558 971979735 /nfs/dbraw/zinc/97/97/35/971979735.db2.gz SXJRNLCYEPRVRY-KOSHJBKYSA-N 1 1 422.573 3.833 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000007216330 961071637 /nfs/dbraw/zinc/07/16/37/961071637.db2.gz KUZNQKMLJRSKLQ-UHFFFAOYSA-N 1 1 404.352 3.606 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(Br)cc2)cc1 ZINC000007216330 961071656 /nfs/dbraw/zinc/07/16/56/961071656.db2.gz KUZNQKMLJRSKLQ-UHFFFAOYSA-N 1 1 404.352 3.606 20 10 HHCDMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000056965683 966538232 /nfs/dbraw/zinc/53/82/32/966538232.db2.gz ANBFSQCPOKFEOI-UHFFFAOYSA-N 1 1 408.329 3.554 20 10 HHCDMO Cc1sc2nc([C@@H](C)[NH2+][C@H](C)c3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C ZINC000065278404 967425796 /nfs/dbraw/zinc/42/57/96/967425796.db2.gz WNZRKXZMGDSOAQ-HUUCEWRRSA-N 1 1 412.559 3.850 20 10 HHCDMO CCOc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CCN(CC)CC2)c1O ZINC000236930432 970189881 /nfs/dbraw/zinc/18/98/81/970189881.db2.gz DRZHXHZODRRJTN-QGZVFWFLSA-N 1 1 401.526 3.923 20 10 HHCDMO COCCN(Cc1ccco1)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435627944 980966507 /nfs/dbraw/zinc/96/65/07/980966507.db2.gz OOMCXDLOISXBDV-UHFFFAOYSA-N 1 1 409.530 3.676 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCn3c4ccccc4nc32)C1 ZINC000435632815 980968088 /nfs/dbraw/zinc/96/80/88/980968088.db2.gz SMZUKJDKVPBYGR-UHFFFAOYSA-N 1 1 413.525 3.804 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000435905923 981085675 /nfs/dbraw/zinc/08/56/75/981085675.db2.gz DAXTYQLNPGSODM-UKDVSSAZSA-N 1 1 421.585 3.872 20 10 HHCDMO COC(=O)c1cccc(F)c1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436010848 981152947 /nfs/dbraw/zinc/15/29/47/981152947.db2.gz ZAWKSNGMIYQKNO-UHFFFAOYSA-N 1 1 423.488 3.972 20 10 HHCDMO CC[C@@H](C)n1nc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)cc1C ZINC000436024832 981163673 /nfs/dbraw/zinc/16/36/73/981163673.db2.gz UPUKHFCICZAHTG-QGZVFWFLSA-N 1 1 407.562 4.522 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCSCC(F)(F)F)C1 ZINC000436037162 981172884 /nfs/dbraw/zinc/17/28/84/981172884.db2.gz INSSQDYYOBHSOT-UHFFFAOYSA-N 1 1 413.509 3.820 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC(=O)Nc3c(F)cccc32)C1 ZINC000436047271 981178344 /nfs/dbraw/zinc/17/83/44/981178344.db2.gz DQCYGOUEIWQYMM-UHFFFAOYSA-N 1 1 420.488 3.532 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000443917130 986119051 /nfs/dbraw/zinc/11/90/51/986119051.db2.gz QIZGGCZQMLXFKJ-UHFFFAOYSA-N 1 1 418.585 3.786 20 10 HHCDMO CCC[NH+]1CCC(CNC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)CC1 ZINC000444142203 986329307 /nfs/dbraw/zinc/32/93/07/986329307.db2.gz KHMRCSGEICUHGS-UHFFFAOYSA-N 1 1 410.606 3.646 20 10 HHCDMO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C[C@@H]1C ZINC000444254459 986451025 /nfs/dbraw/zinc/45/10/25/986451025.db2.gz SWQMWLIYRNUYKH-VQTJNVASSA-N 1 1 410.606 3.739 20 10 HHCDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)C[C@@H]1C ZINC000444254459 986451031 /nfs/dbraw/zinc/45/10/31/986451031.db2.gz SWQMWLIYRNUYKH-VQTJNVASSA-N 1 1 410.606 3.739 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000471731951 989928319 /nfs/dbraw/zinc/92/83/19/989928319.db2.gz QHTGLWCTNVCGSV-SFHVURJKSA-N 1 1 420.557 3.707 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000471731951 989928323 /nfs/dbraw/zinc/92/83/23/989928323.db2.gz QHTGLWCTNVCGSV-SFHVURJKSA-N 1 1 420.557 3.707 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000482011661 994918399 /nfs/dbraw/zinc/91/83/99/994918399.db2.gz CIKIDBDSIFDITF-CALCHBBNSA-N 1 1 415.578 3.522 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc21 ZINC000482011661 994918414 /nfs/dbraw/zinc/91/84/14/994918414.db2.gz CIKIDBDSIFDITF-CALCHBBNSA-N 1 1 415.578 3.522 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](c3ccccc3OC)[NH+](C)C)ccc21 ZINC000484919430 997294519 /nfs/dbraw/zinc/29/45/19/997294519.db2.gz UELSVGWMBSZYDD-QHCPKHFHSA-N 1 1 423.557 3.946 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](c3ccccc3OC)[NH+](C)C)ccc21 ZINC000484919429 997294556 /nfs/dbraw/zinc/29/45/56/997294556.db2.gz UELSVGWMBSZYDD-HSZRJFAPSA-N 1 1 423.557 3.946 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000508214491 1002746103 /nfs/dbraw/zinc/74/61/03/1002746103.db2.gz FBCZMIYXPSHKSI-UHFFFAOYSA-N 1 1 410.606 3.790 20 10 HHCDMO Cc1nnc([C@@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)[nH]1 ZINC000513939459 1005196158 /nfs/dbraw/zinc/19/61/58/1005196158.db2.gz FNPHFNBDKDWDNT-QFIPXVFZSA-N 1 1 420.561 3.588 20 10 HHCDMO Cc1nc([C@@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n[nH]1 ZINC000513939459 1005196161 /nfs/dbraw/zinc/19/61/61/1005196161.db2.gz FNPHFNBDKDWDNT-QFIPXVFZSA-N 1 1 420.561 3.588 20 10 HHCDMO Cc1nc([C@@H]2CCCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)n[nH]1 ZINC000513939459 1005196166 /nfs/dbraw/zinc/19/61/66/1005196166.db2.gz FNPHFNBDKDWDNT-QFIPXVFZSA-N 1 1 420.561 3.588 20 10 HHCDMO CC[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(=O)OC(C)(C)C ZINC001127020246 1072023281 /nfs/dbraw/zinc/02/32/81/1072023281.db2.gz XGBQVXIWUPGNFI-LJQANCHMSA-N 1 1 413.562 3.644 20 10 HHCDMO Cc1cc(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000760552725 1072573701 /nfs/dbraw/zinc/57/37/01/1072573701.db2.gz AGERQLQODKVZHJ-OAQYLSRUSA-N 1 1 420.582 3.837 20 10 HHCDMO Cc1cc(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c(C)n1-c1ccccn1 ZINC000760552725 1072573713 /nfs/dbraw/zinc/57/37/13/1072573713.db2.gz AGERQLQODKVZHJ-OAQYLSRUSA-N 1 1 420.582 3.837 20 10 HHCDMO COc1cc(Br)cc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1O ZINC000761226011 1075663721 /nfs/dbraw/zinc/66/37/21/1075663721.db2.gz MDLDEXHWHBXKEW-GOSISDBHSA-N 1 1 406.320 3.936 20 10 HHCDMO COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000302833209 971341825 /nfs/dbraw/zinc/34/18/25/971341825.db2.gz LYGUZQSSIAFDIU-QGZVFWFLSA-N 1 1 418.921 3.982 20 10 HHCDMO COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000302833209 971341845 /nfs/dbraw/zinc/34/18/45/971341845.db2.gz LYGUZQSSIAFDIU-QGZVFWFLSA-N 1 1 418.921 3.982 20 10 HHCDMO Cc1cc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000303583571 971875821 /nfs/dbraw/zinc/87/58/21/971875821.db2.gz RUYUCVDZCZJTPA-IBGZPJMESA-N 1 1 410.606 3.831 20 10 HHCDMO C[N@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000010056311 961735503 /nfs/dbraw/zinc/73/55/03/961735503.db2.gz GLYXNFVAKPFCIV-UHFFFAOYSA-N 1 1 420.557 3.874 20 10 HHCDMO C[N@@H+](CC(=O)Nc1cccc(N2CCCC2=O)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000010056311 961735513 /nfs/dbraw/zinc/73/55/13/961735513.db2.gz GLYXNFVAKPFCIV-UHFFFAOYSA-N 1 1 420.557 3.874 20 10 HHCDMO CCN(c1ccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1)C(C)C ZINC000015571686 962797320 /nfs/dbraw/zinc/79/73/20/962797320.db2.gz PQLXPWWIUFYJHZ-UHFFFAOYSA-N 1 1 424.589 3.828 20 10 HHCDMO CCN(c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1)C(C)C ZINC000015571686 962797338 /nfs/dbraw/zinc/79/73/38/962797338.db2.gz PQLXPWWIUFYJHZ-UHFFFAOYSA-N 1 1 424.589 3.828 20 10 HHCDMO CC(C)C[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571967 962797392 /nfs/dbraw/zinc/79/73/92/962797392.db2.gz DZAZUXSNEDJSLV-DEOSSOPVSA-N 1 1 409.574 3.859 20 10 HHCDMO CC(C)C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000015571967 962797402 /nfs/dbraw/zinc/79/74/02/962797402.db2.gz DZAZUXSNEDJSLV-DEOSSOPVSA-N 1 1 409.574 3.859 20 10 HHCDMO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000108702914 969413195 /nfs/dbraw/zinc/41/31/95/969413195.db2.gz LFWBNMVDWQPPAN-HSZRJFAPSA-N 1 1 416.525 3.796 20 10 HHCDMO Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc1 ZINC000108702914 969413198 /nfs/dbraw/zinc/41/31/98/969413198.db2.gz LFWBNMVDWQPPAN-HSZRJFAPSA-N 1 1 416.525 3.796 20 10 HHCDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000110443376 969668897 /nfs/dbraw/zinc/66/88/97/969668897.db2.gz KTTVONKQNITQPB-OAQYLSRUSA-N 1 1 424.589 3.535 20 10 HHCDMO C[N@@H+](CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C1CCCCC1 ZINC000195642161 969928361 /nfs/dbraw/zinc/92/83/61/969928361.db2.gz JWWLXFZROZKNBP-OAQYLSRUSA-N 1 1 403.567 3.737 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000248134254 970513032 /nfs/dbraw/zinc/51/30/32/970513032.db2.gz REUCIVINWJCBMZ-UHFFFAOYSA-N 1 1 408.590 3.833 20 10 HHCDMO Cc1ccc(C)n1-c1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000303961136 972545687 /nfs/dbraw/zinc/54/56/87/972545687.db2.gz NLBQJKVZQTXFFS-UHFFFAOYSA-N 1 1 408.590 3.774 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C1 ZINC000435663715 980977999 /nfs/dbraw/zinc/97/79/99/980977999.db2.gz OZWFEPYZDSDUQB-UHFFFAOYSA-N 1 1 418.541 3.748 20 10 HHCDMO COC[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)c1ccc(C)o1 ZINC000435809461 981040159 /nfs/dbraw/zinc/04/01/59/981040159.db2.gz MQEMUFQNWOAGEI-FQEVSTJZSA-N 1 1 409.530 3.813 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)ncn3C)C1 ZINC000435822153 981045961 /nfs/dbraw/zinc/04/59/61/981045961.db2.gz MUWZAYMYCNDUDZ-UHFFFAOYSA-N 1 1 401.514 3.933 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCSc3ncccc32)C1 ZINC000435824918 981047597 /nfs/dbraw/zinc/04/75/97/981047597.db2.gz GOXDTKVOKHOHRP-UHFFFAOYSA-N 1 1 406.555 3.942 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cccc([S@](C)=O)c2)C1 ZINC000435876239 981072899 /nfs/dbraw/zinc/07/28/99/981072899.db2.gz HOEZPTAWTJHURP-LJAQVGFWSA-N 1 1 409.555 3.784 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@]2(C)CCO[C@H]2C2CC2)C1 ZINC000436004153 981146949 /nfs/dbraw/zinc/14/69/49/981146949.db2.gz JJLWAHXWNGNLMC-DQEYMECFSA-N 1 1 409.574 3.729 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)c2nc3ccccc3n2C)C1 ZINC000436032227 981169362 /nfs/dbraw/zinc/16/93/62/981169362.db2.gz YWBDZTUPWGVRHB-UHFFFAOYSA-N 1 1 415.541 3.958 20 10 HHCDMO Cc1ccnc([C@H](NC(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)C2CC2)n1 ZINC000444326659 986506324 /nfs/dbraw/zinc/50/63/24/986506324.db2.gz PHSVCZGIUXYDLW-XMMPIXPASA-N 1 1 417.557 3.774 20 10 HHCDMO COCC[N@@H+](C)CCCC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472227684 993257628 /nfs/dbraw/zinc/25/76/28/993257628.db2.gz ZXGUETAXNIQAPZ-UHFFFAOYSA-N 1 1 414.594 3.767 20 10 HHCDMO CC(C)(C)c1cc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000729684404 1071806460 /nfs/dbraw/zinc/80/64/60/1071806460.db2.gz OGTUDGRNCZYCEY-KRWDZBQOSA-N 1 1 403.611 3.664 20 10 HHCDMO COC(=O)c1coc(-c2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)c1 ZINC000904952869 1071951030 /nfs/dbraw/zinc/95/10/30/1071951030.db2.gz WRNVLFDGPKRQMP-UHFFFAOYSA-N 1 1 420.469 3.886 20 10 HHCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1 ZINC000913144437 1072340897 /nfs/dbraw/zinc/34/08/97/1072340897.db2.gz SAJGQRKWJHNLRM-UHFFFAOYSA-N 1 1 400.494 3.883 20 10 HHCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CCOC[C@H]2COc2ccccn2)CC1 ZINC001142520113 1072416507 /nfs/dbraw/zinc/41/65/07/1072416507.db2.gz BOTABLKGUSGIFY-KRWDZBQOSA-N 1 1 404.457 3.763 20 10 HHCDMO COc1cccc2cc(C[NH+]3CCN(c4cc(OC)c(OC)c(OC)c4)CC3)oc21 ZINC000761218462 1075638544 /nfs/dbraw/zinc/63/85/44/1075638544.db2.gz DNNOLKHMGYIQDU-UHFFFAOYSA-N 1 1 412.486 3.789 20 10 HHCDMO C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000303793403 972031700 /nfs/dbraw/zinc/03/17/00/972031700.db2.gz QQJMFEDUKXAUPM-NLFFAJNJSA-N 1 1 421.585 3.707 20 10 HHCDMO C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000303793403 972031705 /nfs/dbraw/zinc/03/17/05/972031705.db2.gz QQJMFEDUKXAUPM-NLFFAJNJSA-N 1 1 421.585 3.707 20 10 HHCDMO COCCC[N@@H+](C)CCNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000303919599 972494183 /nfs/dbraw/zinc/49/41/83/972494183.db2.gz NYGPBTDAHRYNDW-UHFFFAOYSA-N 1 1 422.367 3.555 20 10 HHCDMO CC(C)[C@H](NC(=O)C[N@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000011193339 962027579 /nfs/dbraw/zinc/02/75/79/962027579.db2.gz XEJLJLRDRGZKMW-DEOSSOPVSA-N 1 1 413.537 3.608 20 10 HHCDMO CC(C)[C@H](NC(=O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000011193339 962027599 /nfs/dbraw/zinc/02/75/99/962027599.db2.gz XEJLJLRDRGZKMW-DEOSSOPVSA-N 1 1 413.537 3.608 20 10 HHCDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)o2)cc1 ZINC000096971003 969068999 /nfs/dbraw/zinc/06/89/99/969068999.db2.gz ZZEPFQNXSKUJAP-SFHVURJKSA-N 1 1 410.430 3.532 20 10 HHCDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)o2)cc1 ZINC000096971003 969069003 /nfs/dbraw/zinc/06/90/03/969069003.db2.gz ZZEPFQNXSKUJAP-SFHVURJKSA-N 1 1 410.430 3.532 20 10 HHCDMO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)N3CCSc4ccccc43)CC2)cc1 ZINC000097494639 969147373 /nfs/dbraw/zinc/14/73/73/969147373.db2.gz YJSPRMDNLFWTBN-GOSISDBHSA-N 1 1 411.571 3.735 20 10 HHCDMO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)N3CCSc4ccccc43)CC2)cc1 ZINC000097494639 969147375 /nfs/dbraw/zinc/14/73/75/969147375.db2.gz YJSPRMDNLFWTBN-GOSISDBHSA-N 1 1 411.571 3.735 20 10 HHCDMO COc1ccc(N2CCC[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 ZINC000108092891 969356989 /nfs/dbraw/zinc/35/69/89/969356989.db2.gz MOSUYEAILSEQEV-DEOSSOPVSA-N 1 1 413.537 3.860 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 ZINC000108092891 969356998 /nfs/dbraw/zinc/35/69/98/969356998.db2.gz MOSUYEAILSEQEV-DEOSSOPVSA-N 1 1 413.537 3.860 20 10 HHCDMO Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000109109638 969463533 /nfs/dbraw/zinc/46/35/33/969463533.db2.gz ZXSLTHBLEZSNKN-HXUWFJFHSA-N 1 1 401.938 3.684 20 10 HHCDMO CN1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000237100653 970222368 /nfs/dbraw/zinc/22/23/68/970222368.db2.gz UPTDJFLPLHDMKE-UHFFFAOYSA-N 1 1 405.464 3.682 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOc3ccc(F)cc3C2)C1 ZINC000428469144 975769775 /nfs/dbraw/zinc/76/97/75/975769775.db2.gz SDODTAYGISGJOJ-UHFFFAOYSA-N 1 1 421.516 3.968 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CC(=O)Nc2ccccc2)C1 ZINC000435522612 980918106 /nfs/dbraw/zinc/91/81/06/980918106.db2.gz OJDHWTKASSUINB-UHFFFAOYSA-N 1 1 418.541 3.505 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nnc(C(F)F)s2)C1 ZINC000435527079 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999008510 /nfs/dbraw/zinc/00/85/10/999008510.db2.gz ILSRWIWOTQFVBI-UHFFFAOYSA-N 1 1 411.571 3.754 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC[N@H+]3CCc4sccc4C3)ccc21 ZINC000486924459 999008513 /nfs/dbraw/zinc/00/85/13/999008513.db2.gz ILSRWIWOTQFVBI-UHFFFAOYSA-N 1 1 411.571 3.754 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOc3cccc(F)c3C2)C1 ZINC000513115595 1004814828 /nfs/dbraw/zinc/81/48/28/1004814828.db2.gz SJWKDRYCLLDEBO-UHFFFAOYSA-N 1 1 421.516 3.968 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000760368584 1072283053 /nfs/dbraw/zinc/28/30/53/1072283053.db2.gz QESXZGYUXDEYEI-SFTDATJTSA-N 1 1 400.954 3.993 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000760368584 1072283063 /nfs/dbraw/zinc/28/30/63/1072283063.db2.gz QESXZGYUXDEYEI-SFTDATJTSA-N 1 1 400.954 3.993 20 10 HHCDMO CC[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000760898350 1074613888 /nfs/dbraw/zinc/61/38/88/1074613888.db2.gz 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419.827 3.945 20 10 HHCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)c1O ZINC000761192563 1075576941 /nfs/dbraw/zinc/57/69/41/1075576941.db2.gz RWMFFTLXXBGELM-CQSZACIVSA-N 1 1 419.827 3.945 20 10 HHCDMO COc1ccc(Cl)cc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000302831962 971340382 /nfs/dbraw/zinc/34/03/82/971340382.db2.gz DRZBHCKBLZRRGX-KRWDZBQOSA-N 1 1 404.894 3.674 20 10 HHCDMO COc1ccc(Cl)cc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000302831962 971340388 /nfs/dbraw/zinc/34/03/88/971340388.db2.gz DRZBHCKBLZRRGX-KRWDZBQOSA-N 1 1 404.894 3.674 20 10 HHCDMO C[N@H+](Cc1ccccc1O)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000303418835 971696463 /nfs/dbraw/zinc/69/64/63/971696463.db2.gz XHTYUHADVIPYMY-HSZRJFAPSA-N 1 1 404.466 3.610 20 10 HHCDMO C[N@@H+](Cc1ccccc1O)[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000303418835 971696470 /nfs/dbraw/zinc/69/64/70/971696470.db2.gz XHTYUHADVIPYMY-HSZRJFAPSA-N 1 1 404.466 3.610 20 10 HHCDMO CCC[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000014264453 962455240 /nfs/dbraw/zinc/45/52/40/962455240.db2.gz AQRABDYXTNHJRS-OAHLLOKOSA-N 1 1 412.349 3.707 20 10 HHCDMO CN1CCCc2cc(CNC(=O)Nc3ccccc3C[NH+]3CCSCC3)ccc21 ZINC000061788872 966552996 /nfs/dbraw/zinc/55/29/96/966552996.db2.gz FQOLHRPHWTXIDQ-UHFFFAOYSA-N 1 1 410.587 3.940 20 10 HHCDMO CN1CCCc2cc(CNC(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000064644419 967258167 /nfs/dbraw/zinc/25/81/67/967258167.db2.gz CBRGLFGKXBAIFV-LJQANCHMSA-N 1 1 412.603 3.842 20 10 HHCDMO CN(C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)[C@H]1CCCc2ccccc21 ZINC000255067362 970584027 /nfs/dbraw/zinc/58/40/27/970584027.db2.gz RVTNKPZVKHSVBK-GGAORHGYSA-N 1 1 408.542 3.909 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CCCC23CCOCC3)C1 ZINC000409808932 973282396 /nfs/dbraw/zinc/28/23/96/973282396.db2.gz VODUPDRZNMBSMJ-QHCPKHFHSA-N 1 1 409.574 3.873 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc([S@@](C)=O)cc2)C1 ZINC000435816595 981043222 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SCEGDOJTTBPAHG-OAQYLSRUSA-N 1 1 422.617 3.742 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000444284897 986472967 /nfs/dbraw/zinc/47/29/67/986472967.db2.gz VHUJDBHPWWZAMT-FQEVSTJZSA-N 1 1 408.590 3.541 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000444284897 986472970 /nfs/dbraw/zinc/47/29/70/986472970.db2.gz VHUJDBHPWWZAMT-FQEVSTJZSA-N 1 1 408.590 3.541 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)Cc2ccc(O)cc2)C1 ZINC000444340204 986518747 /nfs/dbraw/zinc/51/87/47/986518747.db2.gz QCXQWRIDJDIVRO-SFHVURJKSA-N 1 1 405.542 3.861 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)Nc3ccc(NC(=O)C[NH+](C)C)cc3)ccc21 ZINC000465365287 989717282 /nfs/dbraw/zinc/71/72/82/989717282.db2.gz PMWQDMDROSLSKH-UHFFFAOYSA-N 1 1 422.529 3.657 20 10 HHCDMO COc1ccc(N2CCOC[C@]3(CCC[N@H+]([C@@H]4Cc5ccc(OC)cc5C4)C3)C2)cc1 ZINC001168269533 1071884637 /nfs/dbraw/zinc/88/46/37/1071884637.db2.gz VNRRRYSUNAGXIJ-BVAGGSTKSA-N 1 1 422.569 3.790 20 10 HHCDMO Cc1nc(CN2CCOC[C@]3(CCC[N@H+](Cc4cc(F)c(F)cc4O)C3)C2)cs1 ZINC001142520637 1072414940 /nfs/dbraw/zinc/41/49/40/1072414940.db2.gz MVNRHBDQZQYHPH-NRFANRHFSA-N 1 1 423.529 3.550 20 10 HHCDMO Cc1nc(CN2CCOC[C@]3(CCC[N@@H+](Cc4cc(F)c(F)cc4O)C3)C2)cs1 ZINC001142520637 1072414942 /nfs/dbraw/zinc/41/49/42/1072414942.db2.gz MVNRHBDQZQYHPH-NRFANRHFSA-N 1 1 423.529 3.550 20 10 HHCDMO COc1cc(Br)cc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000760712130 1073293987 /nfs/dbraw/zinc/29/39/87/1073293987.db2.gz AFBKOLAUPZDPHN-LBPRGKRZSA-N 1 1 403.280 3.595 20 10 HHCDMO COc1cc(Br)cc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)c1O ZINC000760712128 1073294054 /nfs/dbraw/zinc/29/40/54/1073294054.db2.gz AFBKOLAUPZDPHN-GFCCVEGCSA-N 1 1 403.280 3.595 20 10 HHCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](n3cc(C(=O)OC)nn3)C2)cc1 ZINC000761225696 1075664511 /nfs/dbraw/zinc/66/45/11/1075664511.db2.gz HCWFXCUQTDJLKL-JOCHJYFZSA-N 1 1 419.529 3.538 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(OC(F)F)cc1 ZINC000302833240 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405.489 3.904 20 10 HHCDMO COc1ccc(N2CCC[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 ZINC000108092893 969357065 /nfs/dbraw/zinc/35/70/65/969357065.db2.gz MOSUYEAILSEQEV-XMMPIXPASA-N 1 1 413.537 3.860 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 ZINC000108092893 969357069 /nfs/dbraw/zinc/35/70/69/969357069.db2.gz MOSUYEAILSEQEV-XMMPIXPASA-N 1 1 413.537 3.860 20 10 HHCDMO CCC[N@@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccccc1O ZINC000111087343 969774742 /nfs/dbraw/zinc/77/47/42/969774742.db2.gz UQPAEYKKPNOFJL-NRFANRHFSA-N 1 1 412.530 3.985 20 10 HHCDMO CCOC(=O)C1CCN(C(=O)C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)CC1 ZINC000216476935 970075564 /nfs/dbraw/zinc/07/55/64/970075564.db2.gz QLUOIIJYIMKTJF-IBGZPJMESA-N 1 1 424.541 3.757 20 10 HHCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)CO[C@H]3CCCc4ccccc43)CC2)cc1 ZINC000250590551 970537328 /nfs/dbraw/zinc/53/73/28/970537328.db2.gz WZQRWECBTLQWEA-RDGATRHJSA-N 1 1 410.558 3.662 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(C(F)(F)F)CCOCC2)C1 ZINC000435809983 981040517 /nfs/dbraw/zinc/04/05/17/981040517.db2.gz RGCUDCVAKFXTRG-UHFFFAOYSA-N 1 1 423.479 3.636 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(CC(F)(F)F)[C@@H]2CCOC2)C1 ZINC000435811162 981040868 /nfs/dbraw/zinc/04/08/68/981040868.db2.gz VRLBRGXJDRGPLS-MRXNPFEDSA-N 1 1 423.479 3.588 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000435813728 981041680 /nfs/dbraw/zinc/04/16/80/981041680.db2.gz LZPLQSUIXRUGRA-RTWAWAEBSA-N 1 1 422.617 3.882 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000435813728 981041682 /nfs/dbraw/zinc/04/16/82/981041682.db2.gz LZPLQSUIXRUGRA-RTWAWAEBSA-N 1 1 422.617 3.882 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCC[C@H]2c2ncon2)C1 ZINC000435873409 981071410 /nfs/dbraw/zinc/07/14/10/981071410.db2.gz VMGXVJXJFIEPOH-NRFANRHFSA-N 1 1 407.518 3.545 20 10 HHCDMO Cc1noc(C)c1[C@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435909734 981087807 /nfs/dbraw/zinc/08/78/07/981087807.db2.gz URDIQWHQHYWXEJ-MRXNPFEDSA-N 1 1 408.546 3.933 20 10 HHCDMO CCc1nn(C)c(CC)c1CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435920163 981093005 /nfs/dbraw/zinc/09/30/05/981093005.db2.gz GSMNCMDNKJJSJY-UHFFFAOYSA-N 1 1 421.589 3.583 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC3(CCOCC3)[C@H]2C)C1 ZINC000436022127 981161474 /nfs/dbraw/zinc/16/14/74/981161474.db2.gz AOCALEDZHLRBFJ-LJQANCHMSA-N 1 1 409.574 3.825 20 10 HHCDMO CNC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)c1 ZINC000443907552 986105684 /nfs/dbraw/zinc/10/56/84/986105684.db2.gz JLKQJTWATQSLNN-UHFFFAOYSA-N 1 1 419.529 3.798 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000444236457 986425823 /nfs/dbraw/zinc/42/58/23/986425823.db2.gz KEKLMYVFKVPHBN-UHFFFAOYSA-N 1 1 422.617 3.742 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC[C@@H](C)[C@H](n3ccnc3)C2)C1 ZINC000444273969 986466020 /nfs/dbraw/zinc/46/60/20/986466020.db2.gz VSMLAJAWSZYGPQ-NTKDMRAZSA-N 1 1 419.573 3.714 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000471731950 989928144 /nfs/dbraw/zinc/92/81/44/989928144.db2.gz QHTGLWCTNVCGSV-GOSISDBHSA-N 1 1 420.557 3.707 20 10 HHCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000471731950 989928149 /nfs/dbraw/zinc/92/81/49/989928149.db2.gz QHTGLWCTNVCGSV-GOSISDBHSA-N 1 1 420.557 3.707 20 10 HHCDMO CCCn1cc(C[N@@H+]2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cn1 ZINC000472285028 993302570 /nfs/dbraw/zinc/30/25/70/993302570.db2.gz NSQFSIDRGSWSCQ-UHFFFAOYSA-N 1 1 422.577 3.511 20 10 HHCDMO CCCn1cc(C[N@H+]2CCCN(C(=O)NCc3c(C)c4ccccc4n3C)CC2)cn1 ZINC000472285028 993302577 /nfs/dbraw/zinc/30/25/77/993302577.db2.gz NSQFSIDRGSWSCQ-UHFFFAOYSA-N 1 1 422.577 3.511 20 10 HHCDMO COCCn1c(C)c(C)c2cc(C(=O)NCC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)ccc21 ZINC000482011668 994918667 /nfs/dbraw/zinc/91/86/67/994918667.db2.gz CIKIDBDSIFDITF-IRXDYDNUSA-N 1 1 415.578 3.522 20 10 HHCDMO C[C@H](c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1)[NH+]1CCOCC1 ZINC000541092356 1011737197 /nfs/dbraw/zinc/73/71/97/1011737197.db2.gz DHJUKYWBVOWQMF-QGZVFWFLSA-N 1 1 410.518 3.577 20 10 HHCDMO CCOC(=O)[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2)C(C)(C)C ZINC001126781136 1072382971 /nfs/dbraw/zinc/38/29/71/1072382971.db2.gz OQYBTYHKAKDXNA-JOCHJYFZSA-N 1 1 413.562 3.502 20 10 HHCDMO O=C1Nc2ccc(Br)cc2C12CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142527162 1072420458 /nfs/dbraw/zinc/42/04/58/1072420458.db2.gz MSLRNSDZNDDECT-UHFFFAOYSA-N 1 1 423.257 3.919 20 10 HHCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000761050968 1075276073 /nfs/dbraw/zinc/27/60/73/1075276073.db2.gz LTVMIPXEZQGCLY-IYBDPMFKSA-N 1 1 407.942 3.568 20 10 HHCDMO COc1cc(Cl)cc(C[N@H+](C)CC(=O)Nc2ccccc2Br)c1O ZINC000761182311 1075566886 /nfs/dbraw/zinc/56/68/86/1075566886.db2.gz BDRPTOUXSALHDD-UHFFFAOYSA-N 1 1 413.699 3.887 20 10 HHCDMO COc1cc(Cl)cc(C[N@@H+](C)CC(=O)Nc2ccccc2Br)c1O ZINC000761182311 1075566889 /nfs/dbraw/zinc/56/68/89/1075566889.db2.gz BDRPTOUXSALHDD-UHFFFAOYSA-N 1 1 413.699 3.887 20 10 HHCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c1O ZINC000761192569 1075576962 /nfs/dbraw/zinc/57/69/62/1075576962.db2.gz SALWFNRGNRSYRP-OAHLLOKOSA-N 1 1 419.827 3.945 20 10 HHCDMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000302831625 971339391 /nfs/dbraw/zinc/33/93/91/971339391.db2.gz CCSOMHVHWAJDIO-NRFANRHFSA-N 1 1 400.494 3.561 20 10 HHCDMO C[C@H](NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000302833119 971340882 /nfs/dbraw/zinc/34/08/82/971340882.db2.gz LNMRBZCOGPGRAY-OXJNMPFZSA-N 1 1 402.922 3.904 20 10 HHCDMO C[C@H](NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000302833119 971340886 /nfs/dbraw/zinc/34/08/86/971340886.db2.gz LNMRBZCOGPGRAY-OXJNMPFZSA-N 1 1 402.922 3.904 20 10 HHCDMO 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CCN(C(C)=O)c1nc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cs1 ZINC000236844844 970179433 /nfs/dbraw/zinc/17/94/33/970179433.db2.gz HXWWEVCFXYZSLL-HNNXBMFYSA-N 1 1 424.517 3.876 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000435808584 981039687 /nfs/dbraw/zinc/03/96/87/981039687.db2.gz KMVQQNPPMYUMFP-GLYQVZKVSA-N 1 1 409.574 3.728 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 ZINC000435829379 981049531 /nfs/dbraw/zinc/04/95/31/981049531.db2.gz XKHRTBRBXVCHRG-UHFFFAOYSA-N 1 1 416.525 3.931 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnn(CC(F)F)c2)C1 ZINC000435863400 981065038 /nfs/dbraw/zinc/06/50/38/981065038.db2.gz WNMQBVCUSZZPLG-UHFFFAOYSA-N 1 1 401.461 3.508 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000435880661 981075018 /nfs/dbraw/zinc/07/50/18/981075018.db2.gz QBZOIQULFMERDW-SFHVURJKSA-N 1 1 418.541 3.551 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000435905921 981085931 /nfs/dbraw/zinc/08/59/31/981085931.db2.gz DAXTYQLNPGSODM-OWAUWMPXSA-N 1 1 421.585 3.872 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000435906715 981086677 /nfs/dbraw/zinc/08/66/77/981086677.db2.gz HRXRCRFYBVFBRB-UXHICEINSA-N 1 1 409.574 3.683 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000435975051 981125470 /nfs/dbraw/zinc/12/54/70/981125470.db2.gz RZYQAGKYOYWHIF-UHFFFAOYSA-N 1 1 410.606 3.646 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC([C@@H]3CCCO3)CC2)C1 ZINC000444279242 986468550 /nfs/dbraw/zinc/46/85/50/986468550.db2.gz FGOBBUSGRNXFRF-DEOSSOPVSA-N 1 1 409.574 3.825 20 10 HHCDMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)Cc2cccc(O)c2)C1 ZINC000444334556 986512387 /nfs/dbraw/zinc/51/23/87/986512387.db2.gz HQRDRPZHHGGBDB-SFHVURJKSA-N 1 1 405.542 3.861 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCCCC[C@@H]2c2ncon2)C1 ZINC000444369310 986546260 /nfs/dbraw/zinc/54/62/60/986546260.db2.gz QYKUSKIOKKSKAP-JOCHJYFZSA-N 1 1 421.545 3.935 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCOCc3ccccc32)C1 ZINC000470636293 988650201 /nfs/dbraw/zinc/65/02/01/988650201.db2.gz WNGCBLFJQUCZGP-UHFFFAOYSA-N 1 1 403.526 3.971 20 10 HHCDMO Cc1nc(C[NH+]2CCC(CNC(=O)NCc3c(C)c4ccccc4n3C)CC2)oc1C ZINC000471856658 990029590 /nfs/dbraw/zinc/02/95/90/990029590.db2.gz MDKRFZDSXVMOML-UHFFFAOYSA-N 1 1 423.561 3.803 20 10 HHCDMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c1O ZINC000913064451 1072321941 /nfs/dbraw/zinc/32/19/41/1072321941.db2.gz VSWXEBPHBKCUQU-UHFFFAOYSA-N 1 1 418.493 3.680 20 10 HHCDMO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cc(F)c(F)cc3O)CC2)c2ccccc21 ZINC001142520652 1072415008 /nfs/dbraw/zinc/41/50/08/1072415008.db2.gz NIRMZOHPAKJJSZ-OAHLLOKOSA-N 1 1 400.469 3.828 20 10 HHCDMO C[NH+](C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)c1ccccc1Cl ZINC000760945328 1074703777 /nfs/dbraw/zinc/70/37/77/1074703777.db2.gz XSTJHTKLQUFPKO-KRWDZBQOSA-N 1 1 422.312 3.766 20 10 HHCDMO COc1cc(Cl)cc(C[N@H+]2CCc3cc(OC)c(OC)c(OC)c3CC2)c1O ZINC000761206261 1075593845 /nfs/dbraw/zinc/59/38/45/1075593845.db2.gz UYHYHOHLSKFLGL-UHFFFAOYSA-N 1 1 407.894 3.681 20 10 HHCDMO COc1cc(N2CC[NH+](Cc3cnc(C)n3-c3ccccc3)CC2)cc(OC)c1OC ZINC000761220201 1075651159 /nfs/dbraw/zinc/65/11/59/1075651159.db2.gz WEKRVPNYNFBRPE-UHFFFAOYSA-N 1 1 422.529 3.529 20 10 HHCDMO COc1cc(Br)cc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c1O ZINC000761226012 1075663765 /nfs/dbraw/zinc/66/37/65/1075663765.db2.gz MDLDEXHWHBXKEW-SFHVURJKSA-N 1 1 406.320 3.936 20 10 HHCDMO O=C(C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000302832182 971340289 /nfs/dbraw/zinc/34/02/89/971340289.db2.gz GKSBDFRSTPSTSA-MRXNPFEDSA-N 1 1 419.865 3.574 20 10 HHCDMO O=C(C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000302832182 971340298 /nfs/dbraw/zinc/34/02/98/971340298.db2.gz GKSBDFRSTPSTSA-MRXNPFEDSA-N 1 1 419.865 3.574 20 10 HHCDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000303034062 971468788 /nfs/dbraw/zinc/46/87/88/971468788.db2.gz UQMQZIYKDOQXMI-AZUAARDMSA-N 1 1 403.567 3.593 20 10 HHCDMO Cc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(C#N)cc1 ZINC000303222606 971567538 /nfs/dbraw/zinc/56/75/38/971567538.db2.gz VSJPDASEMMTLIO-QZTJIDSGSA-N 1 1 408.546 3.583 20 10 HHCDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+](C)Cc2ccccc2O)c1C#N ZINC000303367518 971663061 /nfs/dbraw/zinc/66/30/61/971663061.db2.gz KQAJLOAWTXOSKG-UHFFFAOYSA-N 1 1 406.461 3.881 20 10 HHCDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+](C)Cc2ccccc2O)c1C#N ZINC000303367518 971663067 /nfs/dbraw/zinc/66/30/67/971663067.db2.gz KQAJLOAWTXOSKG-UHFFFAOYSA-N 1 1 406.461 3.881 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CCCO[C@@H]2c2ccccc2)cc1 ZINC000051131966 964468977 /nfs/dbraw/zinc/46/89/77/964468977.db2.gz XYUSDZXAPLPABR-RCZVLFRGSA-N 1 1 409.574 3.811 20 10 HHCDMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000038588969 966484852 /nfs/dbraw/zinc/48/48/52/966484852.db2.gz JAFKXGVRQJVPDO-UHFFFAOYSA-N 1 1 422.451 3.658 20 10 HHCDMO CN(C)c1ccc(CNC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000116548126 969903428 /nfs/dbraw/zinc/90/34/28/969903428.db2.gz GVGAGVSOBWQDJF-OAQYLSRUSA-N 1 1 423.454 3.963 20 10 HHCDMO COC(=O)c1ccsc1NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000435543655 980932354 /nfs/dbraw/zinc/93/23/54/980932354.db2.gz MRQPORQTELHGBC-UHFFFAOYSA-N 1 1 411.527 3.895 20 10 HHCDMO Cc1ccc([C@H]2COCCN2C(=O)Cn2c3ccccc3c3c2CC[N@H+](C(C)C)C3)o1 ZINC000435862670 981064439 /nfs/dbraw/zinc/06/44/39/981064439.db2.gz PGHRRUQYJHTWHU-HSZRJFAPSA-N 1 1 421.541 3.909 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)C(=O)Nc2ccccc2)C1 ZINC000435880658 981075146 /nfs/dbraw/zinc/07/51/46/981075146.db2.gz QBZOIQULFMERDW-GOSISDBHSA-N 1 1 418.541 3.551 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000435906714 981086216 /nfs/dbraw/zinc/08/62/16/981086216.db2.gz HRXRCRFYBVFBRB-PMACEKPBSA-N 1 1 409.574 3.683 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)C1 ZINC000443176999 985428027 /nfs/dbraw/zinc/42/80/27/985428027.db2.gz XQQUFEYRZGTLPU-UHFFFAOYSA-N 1 1 417.513 3.639 20 10 HHCDMO Cc1ccn2cc(CNC(=O)Cn3c4ccccc4c4c3CC[N@H+](C(C)C)C4)nc2c1 ZINC000444021070 986213742 /nfs/dbraw/zinc/21/37/42/986213742.db2.gz MIMBLUPJVMPWJE-UHFFFAOYSA-N 1 1 415.541 3.680 20 10 HHCDMO CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000444025287 986220055 /nfs/dbraw/zinc/22/00/55/986220055.db2.gz OYQMPBIGNAWPMQ-UHFFFAOYSA-N 1 1 422.617 3.885 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCc2cccc(N(C)C)c2)C1 ZINC000444138410 986327696 /nfs/dbraw/zinc/32/76/96/986327696.db2.gz ISUNXXZHKMQWOM-UHFFFAOYSA-N 1 1 404.558 3.790 20 10 HHCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nncn2-c2ccccc2)C1 ZINC000512041404 1003975608 /nfs/dbraw/zinc/97/56/08/1003975608.db2.gz LWHYSHHSEYHDKI-UHFFFAOYSA-N 1 1 414.513 3.627 20 10 HHCDMO CC(C)N1C[C@@H](c2noc(Cn3c4ccccc4c4c3CC[N@@H+](C(C)C)C4)n2)CC1=O ZINC000551183924 1010424967 /nfs/dbraw/zinc/42/49/67/1010424967.db2.gz RIMHMRPNHBESFN-KRWDZBQOSA-N 1 1 421.545 3.563 20 10 HHCDMO C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000760314355 1072241269 /nfs/dbraw/zinc/24/12/69/1072241269.db2.gz FHIVTPMEEWGHDN-YADHBBJMSA-N 1 1 410.949 3.961 20 10 HHCDMO C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000760314355 1072241275 /nfs/dbraw/zinc/24/12/75/1072241275.db2.gz FHIVTPMEEWGHDN-YADHBBJMSA-N 1 1 410.949 3.961 20 10 HHCDMO C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760314342 1072241306 /nfs/dbraw/zinc/24/13/06/1072241306.db2.gz FHIVTPMEEWGHDN-FCHUYYIVSA-N 1 1 410.949 3.961 20 10 HHCDMO C[N@H+]1CC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000760314342 1072241308 /nfs/dbraw/zinc/24/13/08/1072241308.db2.gz FHIVTPMEEWGHDN-FCHUYYIVSA-N 1 1 410.949 3.961 20 10 HHCDMO COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000912760307 1072278744 /nfs/dbraw/zinc/27/87/44/1072278744.db2.gz WKPLONKVVLBPBS-QGZVFWFLSA-N 1 1 411.329 3.564 20 10 HHCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000760370432 1072285493 /nfs/dbraw/zinc/28/54/93/1072285493.db2.gz RQZFKZVZQAMYQC-VIZZQPHQSA-N 1 1 403.910 3.860 20 10 HHCDMO COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000760370432 1072285503 /nfs/dbraw/zinc/28/55/03/1072285503.db2.gz RQZFKZVZQAMYQC-VIZZQPHQSA-N 1 1 403.910 3.860 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000913039073 1072319220 /nfs/dbraw/zinc/31/92/20/1072319220.db2.gz BOXBCGJMLMYGEU-UHFFFAOYSA-N 1 1 402.542 3.982 20 10 HHCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000913039073 1072319233 /nfs/dbraw/zinc/31/92/33/1072319233.db2.gz BOXBCGJMLMYGEU-UHFFFAOYSA-N 1 1 402.542 3.982 20 10 HHCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000913144100 1072340878 /nfs/dbraw/zinc/34/08/78/1072340878.db2.gz WVOGNAYHHUBKDA-UHFFFAOYSA-N 1 1 400.494 3.883 20 10 HHCDMO Oc1cc(F)c(F)cc1C[NH+]1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 ZINC001142520116 1072416360 /nfs/dbraw/zinc/41/63/60/1072416360.db2.gz BOTABLKGUSGIFY-QGZVFWFLSA-N 1 1 404.457 3.763 20 10 HHCDMO COCCN(Cc1ccc(C)o1)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001126981417 1074172178 /nfs/dbraw/zinc/17/21/78/1074172178.db2.gz IOGCGSWMTFFJBA-UHFFFAOYSA-N 1 1 423.557 3.984 20 10 HHCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cn3cc(Br)cc(C)c3n2)c1 ZINC000760881676 1074480111 /nfs/dbraw/zinc/48/01/11/1074480111.db2.gz QVMVCVHRMVIOMB-LBPRGKRZSA-N 1 1 418.291 3.748 20 10 HHCDMO